data_17892 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17892 _Entry.PDB_ID 2LIH 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 17892 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ILE N N 2 123.730 123.730 120.763 2.967 17892 2 1 1 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.829 0.158 17892 3 1 1 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.442 -0.112 17892 4 1 1 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.107 0.470 17892 5 1 1 . 1 1 2 2 ILE H H 2 8.813 8.813 7.877 0.936 17892 6 1 1 . 1 1 3 3 ILE N N 3 129.451 129.451 129.061 0.390 17892 7 1 1 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.225 0.089 17892 8 1 1 . 1 1 3 3 ILE CA C 3 60.712 60.712 59.953 0.759 17892 9 1 1 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.083 -0.226 17892 10 1 1 . 1 1 3 3 ILE H H 3 9.355 9.355 9.250 0.105 17892 11 1 1 . 1 1 4 4 ASN N N 4 124.242 124.242 126.056 -1.814 17892 12 1 1 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.113 0.337 17892 13 1 1 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.342 -0.602 17892 14 1 1 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.042 2.516 17892 15 1 1 . 1 1 4 4 ASN H H 4 8.823 8.823 8.895 -0.072 17892 16 1 1 . 1 1 5 5 ASN N N 5 121.916 121.916 123.811 -1.895 17892 17 1 1 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.790 0.590 17892 18 1 1 . 1 1 5 5 ASN CA C 5 52.021 52.021 53.357 -1.336 17892 19 1 1 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.027 1.110 17892 20 1 1 . 1 1 5 5 ASN H H 5 9.356 9.356 9.151 0.205 17892 21 1 1 . 1 1 6 6 LEU N N 6 120.873 120.873 122.970 -2.097 17892 22 1 1 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.819 -0.077 17892 23 1 1 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.215 0.890 17892 24 1 1 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.615 -0.260 17892 25 1 1 . 1 1 6 6 LEU H H 6 8.419 8.419 9.220 -0.801 17892 26 1 1 . 1 1 7 7 LYS N N 7 118.232 118.232 117.536 0.696 17892 27 1 1 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.172 -0.287 17892 28 1 1 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.043 1.814 17892 29 1 1 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.467 1.386 17892 30 1 1 . 1 1 7 7 LYS H H 7 8.820 8.820 8.312 0.508 17892 31 1 1 . 1 1 8 8 LEU N N 8 116.679 116.679 120.603 -3.924 17892 32 1 1 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.041 0.073 17892 33 1 1 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.320 0.898 17892 34 1 1 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.785 0.793 17892 35 1 1 . 1 1 8 8 LEU H H 8 7.443 7.443 7.632 -0.189 17892 36 1 1 . 1 1 9 9 ILE N N 9 119.043 119.043 118.865 0.178 17892 37 1 1 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.564 0.215 17892 38 1 1 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.286 -1.880 17892 39 1 1 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.588 -0.663 17892 40 1 1 . 1 1 9 9 ILE H H 9 8.133 8.133 8.632 -0.499 17892 41 1 1 . 1 1 10 10 ARG N N 10 120.200 120.200 120.614 -0.414 17892 42 1 1 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.808 0.034 17892 43 1 1 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.006 1.271 17892 44 1 1 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.121 -1.087 17892 45 1 1 . 1 1 10 10 ARG H H 10 9.128 9.128 8.824 0.304 17892 46 1 1 . 1 1 11 11 GLU N N 11 116.457 116.457 118.095 -1.638 17892 47 1 1 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.074 0.040 17892 48 1 1 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.803 1.133 17892 49 1 1 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.124 0.340 17892 50 1 1 . 1 1 11 11 GLU H H 11 8.555 8.555 8.273 0.282 17892 51 1 1 . 1 1 12 12 LYS N N 12 122.500 122.500 118.335 4.165 17892 52 1 1 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.092 0.071 17892 53 1 1 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.480 1.486 17892 54 1 1 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.389 0.159 17892 55 1 1 . 1 1 12 12 LYS H H 12 8.169 8.169 7.255 0.914 17892 56 1 1 . 1 1 13 13 LYS N N 13 116.690 116.690 117.554 -0.864 17892 57 1 1 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.216 0.049 17892 58 1 1 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.345 -0.725 17892 59 1 1 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.520 -0.421 17892 60 1 1 . 1 1 13 13 LYS H H 13 7.748 7.748 7.894 -0.146 17892 61 1 1 . 1 1 14 14 LYS N N 14 115.251 115.251 113.631 1.620 17892 62 1 1 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.867 0.047 17892 63 1 1 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.271 0.196 17892 64 1 1 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.466 -1.551 17892 65 1 1 . 1 1 14 14 LYS H H 14 7.978 7.978 8.289 -0.311 17892 66 1 1 . 1 1 15 15 ILE N N 15 118.640 118.640 119.494 -0.854 17892 67 1 1 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.331 0.236 17892 68 1 1 . 1 1 15 15 ILE CA C 15 59.621 59.621 58.855 0.766 17892 69 1 1 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.758 0.415 17892 70 1 1 . 1 1 15 15 ILE H H 15 7.508 7.508 7.506 0.002 17892 71 1 1 . 1 1 16 16 SER N N 16 124.827 124.827 120.891 3.936 17892 72 1 1 . 1 1 16 16 SER HA H 16 4.559 4.559 4.538 0.021 17892 73 1 1 . 1 1 16 16 SER CA C 16 57.422 57.422 57.370 0.052 17892 74 1 1 . 1 1 16 16 SER CB C 16 65.249 65.249 64.518 0.731 17892 75 1 1 . 1 1 16 16 SER H H 16 9.220 9.220 8.750 0.470 17892 76 1 1 . 1 1 17 17 GLN N N 17 120.457 120.457 126.938 -6.481 17892 77 1 1 . 1 1 17 17 GLN HA H 17 3.751 3.751 4.070 -0.319 17892 78 1 1 . 1 1 17 17 GLN CA C 17 61.277 61.277 58.904 2.373 17892 79 1 1 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.007 1.594 17892 80 1 1 . 1 1 17 17 GLN H H 17 9.364 9.364 9.069 0.295 17892 81 1 1 . 1 1 18 18 SER N N 18 112.796 112.796 117.277 -4.481 17892 82 1 1 . 1 1 18 18 SER HA H 18 4.739 4.739 4.061 0.678 17892 83 1 1 . 1 1 18 18 SER CA C 18 63.145 63.145 62.369 0.776 17892 84 1 1 . 1 1 18 18 SER CB C 18 65.724 65.724 62.873 2.851 17892 85 1 1 . 1 1 18 18 SER H H 18 8.680 8.680 8.201 0.479 17892 86 1 1 . 1 1 19 19 GLU N N 19 124.363 124.363 121.418 2.945 17892 87 1 1 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.162 -0.092 17892 88 1 1 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.401 0.909 17892 89 1 1 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.354 0.837 17892 90 1 1 . 1 1 19 19 GLU H H 19 8.145 8.145 7.665 0.480 17892 91 1 1 . 1 1 20 20 LEU N N 20 119.741 119.741 121.914 -2.173 17892 92 1 1 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.992 0.108 17892 93 1 1 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.793 0.314 17892 94 1 1 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.580 -0.025 17892 95 1 1 . 1 1 20 20 LEU H H 20 8.161 8.161 8.029 0.132 17892 96 1 1 . 1 1 21 21 ALA N N 21 119.970 119.970 121.107 -1.137 17892 97 1 1 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.953 -0.264 17892 98 1 1 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.216 0.604 17892 99 1 1 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.940 -0.542 17892 100 1 1 . 1 1 21 21 ALA H H 21 8.436 8.436 8.774 -0.338 17892 101 1 1 . 1 1 22 22 ALA N N 22 117.873 117.873 121.445 -3.572 17892 102 1 1 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.010 0.194 17892 103 1 1 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.617 0.444 17892 104 1 1 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.417 -0.182 17892 105 1 1 . 1 1 22 22 ALA H H 22 7.709 7.709 7.477 0.232 17892 106 1 1 . 1 1 23 23 LEU N N 23 118.771 118.771 118.862 -0.091 17892 107 1 1 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.497 0.418 17892 108 1 1 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.376 0.274 17892 109 1 1 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.165 0.769 17892 110 1 1 . 1 1 23 23 LEU H H 23 7.543 7.543 7.850 -0.307 17892 111 1 1 . 1 1 24 24 LEU N N 24 114.703 114.703 118.387 -3.684 17892 112 1 1 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.231 0.031 17892 113 1 1 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.178 -1.327 17892 114 1 1 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.031 1.952 17892 115 1 1 . 1 1 24 24 LEU H H 24 7.430 7.430 8.412 -0.982 17892 116 1 1 . 1 1 25 25 GLU N N 25 115.450 115.450 114.008 1.442 17892 117 1 1 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.036 -0.130 17892 118 1 1 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.144 0.642 17892 119 1 1 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.525 0.018 17892 120 1 1 . 1 1 25 25 GLU H H 25 7.987 7.987 8.429 -0.442 17892 121 1 1 . 1 1 26 26 VAL N N 26 110.029 110.029 112.021 -1.992 17892 122 1 1 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.556 0.284 17892 123 1 1 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.321 -0.490 17892 124 1 1 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.331 0.258 17892 125 1 1 . 1 1 26 26 VAL H H 26 7.908 7.908 7.956 -0.048 17892 126 1 1 . 1 1 27 27 SER N N 27 114.372 114.372 116.063 -1.691 17892 127 1 1 . 1 1 27 27 SER HA H 27 4.761 4.761 4.594 0.167 17892 128 1 1 . 1 1 27 27 SER CA C 27 56.661 56.661 58.027 -1.366 17892 129 1 1 . 1 1 27 27 SER CB C 27 62.712 62.712 64.066 -1.354 17892 130 1 1 . 1 1 27 27 SER H H 27 8.401 8.401 8.304 0.097 17892 131 1 1 . 1 1 28 28 ARG N N 28 115.199 115.199 123.645 -8.446 17892 132 1 1 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.970 -0.240 17892 133 1 1 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.159 0.219 17892 134 1 1 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.299 -0.699 17892 135 1 1 . 1 1 28 28 ARG H H 28 8.150 8.150 8.904 -0.754 17892 136 1 1 . 1 1 29 29 GLN N N 29 117.559 117.559 116.221 1.338 17892 137 1 1 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.102 0.010 17892 138 1 1 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.594 0.041 17892 139 1 1 . 1 1 29 29 GLN CB C 29 28.118 28.118 27.805 0.313 17892 140 1 1 . 1 1 29 29 GLN H H 29 8.674 8.674 8.925 -0.251 17892 141 1 1 . 1 1 30 30 THR N N 30 119.900 119.900 117.169 2.731 17892 142 1 1 . 1 1 30 30 THR HA H 30 4.373 4.373 4.275 0.098 17892 143 1 1 . 1 1 30 30 THR CA C 30 68.235 68.235 66.057 2.178 17892 144 1 1 . 1 1 30 30 THR CB C 30 66.938 66.938 68.742 -1.804 17892 145 1 1 . 1 1 30 30 THR H H 30 7.995 7.995 7.967 0.028 17892 146 1 1 . 1 1 31 31 ILE N N 31 119.083 119.083 123.045 -3.962 17892 147 1 1 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.754 -0.010 17892 148 1 1 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.733 -1.417 17892 149 1 1 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.512 -0.885 17892 150 1 1 . 1 1 31 31 ILE H H 31 7.118 7.118 7.791 -0.673 17892 151 1 1 . 1 1 32 32 ASN N N 32 118.406 118.406 119.450 -1.044 17892 152 1 1 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.616 -0.290 17892 153 1 1 . 1 1 32 32 ASN CA C 32 57.617 57.617 56.724 0.893 17892 154 1 1 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.189 1.307 17892 155 1 1 . 1 1 32 32 ASN H H 32 8.533 8.533 8.551 -0.018 17892 156 1 1 . 1 1 33 33 GLY N N 33 125.014 125.014 109.000 16.014 17892 157 1 1 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.131 0.559 17892 158 1 1 . 1 1 33 33 GLY H H 33 8.477 8.477 8.706 -0.229 17892 159 1 1 . 1 1 34 34 ILE N N 34 122.677 122.677 123.033 -0.356 17892 160 1 1 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.763 0.494 17892 161 1 1 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.457 0.795 17892 162 1 1 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.973 0.863 17892 163 1 1 . 1 1 34 34 ILE H H 34 8.178 8.178 7.634 0.544 17892 164 1 1 . 1 1 35 35 GLU N N 35 120.928 120.928 120.120 0.808 17892 165 1 1 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.938 0.225 17892 166 1 1 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.639 0.691 17892 167 1 1 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.693 -0.291 17892 168 1 1 . 1 1 35 35 GLU H H 35 8.537 8.537 8.704 -0.167 17892 169 1 1 . 1 1 36 36 LYS N N 36 116.174 116.174 117.299 -1.125 17892 170 1 1 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.178 0.292 17892 171 1 1 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.625 0.404 17892 172 1 1 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.409 1.080 17892 173 1 1 . 1 1 36 36 LYS H H 36 7.978 7.978 8.523 -0.545 17892 174 1 1 . 1 1 37 37 ASN N N 37 114.939 114.939 114.534 0.405 17892 175 1 1 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.360 0.308 17892 176 1 1 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.726 0.326 17892 177 1 1 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.812 0.717 17892 178 1 1 . 1 1 37 37 ASN H H 37 8.150 8.150 7.825 0.325 17892 179 1 1 . 1 1 38 38 LYS N N 38 115.469 115.469 116.906 -1.437 17892 180 1 1 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.093 0.292 17892 181 1 1 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.680 -1.920 17892 182 1 1 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.267 0.326 17892 183 1 1 . 1 1 38 38 LYS H H 38 8.586 8.586 8.199 0.387 17892 184 1 1 . 1 1 39 39 TYR N N 39 117.011 117.011 112.743 4.268 17892 185 1 1 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.730 -0.111 17892 186 1 1 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.665 0.335 17892 187 1 1 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.047 1.406 17892 188 1 1 . 1 1 39 39 TYR H H 39 7.028 7.028 6.993 0.035 17892 189 1 1 . 1 1 40 40 ASN N N 40 123.592 123.592 119.475 4.117 17892 190 1 1 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.956 0.225 17892 191 1 1 . 1 1 40 40 ASN CA C 40 50.235 50.235 49.966 0.269 17892 192 1 1 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.778 -0.752 17892 193 1 1 . 1 1 40 40 ASN H H 40 8.618 8.618 8.538 0.080 17892 194 1 1 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.528 -0.764 17892 195 1 1 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.453 0.596 17892 196 1 1 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.261 -0.128 17892 197 1 1 . 1 1 42 42 SER N N 42 125.240 125.240 115.176 10.064 17892 198 1 1 . 1 1 42 42 SER HA H 42 4.530 4.530 4.257 0.273 17892 199 1 1 . 1 1 42 42 SER CA C 42 58.052 58.052 58.340 -0.288 17892 200 1 1 . 1 1 42 42 SER CB C 42 64.643 64.643 64.027 0.616 17892 201 1 1 . 1 1 42 42 SER H H 42 7.798 7.798 8.168 -0.370 17892 202 1 1 . 1 1 43 43 LEU N N 43 121.149 121.149 123.799 -2.650 17892 203 1 1 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.043 -0.178 17892 204 1 1 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.467 0.384 17892 205 1 1 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.408 -0.002 17892 206 1 1 . 1 1 43 43 LEU H H 43 9.134 9.134 8.699 0.435 17892 207 1 1 . 1 1 44 44 GLN N N 44 115.817 115.817 117.847 -2.030 17892 208 1 1 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.061 -0.369 17892 209 1 1 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.391 1.254 17892 210 1 1 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.243 0.557 17892 211 1 1 . 1 1 44 44 GLN H H 44 8.743 8.743 8.676 0.067 17892 212 1 1 . 1 1 45 45 LEU N N 45 119.397 119.397 120.114 -0.717 17892 213 1 1 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.011 -0.123 17892 214 1 1 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.607 -2.551 17892 215 1 1 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.679 -0.502 17892 216 1 1 . 1 1 45 45 LEU H H 45 7.895 7.895 7.584 0.311 17892 217 1 1 . 1 1 46 46 ALA N N 46 120.694 120.694 122.555 -1.861 17892 218 1 1 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.028 -0.036 17892 219 1 1 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.359 0.719 17892 220 1 1 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.041 1.912 17892 221 1 1 . 1 1 46 46 ALA H H 46 8.437 8.437 8.704 -0.267 17892 222 1 1 . 1 1 47 47 LEU N N 47 116.298 116.298 118.834 -2.536 17892 223 1 1 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.895 0.260 17892 224 1 1 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.144 -0.093 17892 225 1 1 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.617 0.966 17892 226 1 1 . 1 1 47 47 LEU H H 47 8.552 8.552 8.779 -0.227 17892 227 1 1 . 1 1 48 48 LYS N N 48 120.836 120.836 120.356 0.480 17892 228 1 1 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.994 -0.471 17892 229 1 1 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.065 0.397 17892 230 1 1 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.444 0.691 17892 231 1 1 . 1 1 48 48 LYS H H 48 7.863 7.863 8.246 -0.383 17892 232 1 1 . 1 1 49 49 ILE N N 49 120.259 120.259 120.496 -0.237 17892 233 1 1 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.829 -0.265 17892 234 1 1 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.749 1.784 17892 235 1 1 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.971 0.232 17892 236 1 1 . 1 1 49 49 ILE H H 49 8.621 8.621 8.519 0.102 17892 237 1 1 . 1 1 50 50 ALA N N 50 120.672 120.672 123.408 -2.736 17892 238 1 1 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.111 -0.092 17892 239 1 1 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.218 0.789 17892 240 1 1 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.348 0.207 17892 241 1 1 . 1 1 50 50 ALA H H 50 8.033 8.033 8.459 -0.426 17892 242 1 1 . 1 1 51 51 TYR N N 51 117.393 117.393 120.190 -2.797 17892 243 1 1 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.022 0.284 17892 244 1 1 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.085 -0.158 17892 245 1 1 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.475 0.298 17892 246 1 1 . 1 1 51 51 TYR H H 51 8.108 8.108 8.776 -0.668 17892 247 1 1 . 1 1 52 52 TYR N N 52 118.419 118.419 117.642 0.777 17892 248 1 1 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.210 0.080 17892 249 1 1 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.596 1.569 17892 250 1 1 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.830 -0.802 17892 251 1 1 . 1 1 52 52 TYR H H 52 8.891 8.891 8.573 0.318 17892 252 1 1 . 1 1 53 53 LEU N N 53 115.657 115.657 116.611 -0.954 17892 253 1 1 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.385 0.085 17892 254 1 1 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.607 0.013 17892 255 1 1 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.931 -1.286 17892 256 1 1 . 1 1 53 53 LEU H H 53 8.182 8.182 8.498 -0.316 17892 257 1 1 . 1 1 54 54 ASN N N 54 122.127 122.127 117.640 4.487 17892 258 1 1 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.326 0.082 17892 259 1 1 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.271 -0.103 17892 260 1 1 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.357 0.810 17892 261 1 1 . 1 1 54 54 ASN H H 54 8.048 8.048 7.722 0.326 17892 262 1 1 . 1 1 55 55 THR N N 55 115.087 115.087 115.382 -0.295 17892 263 1 1 . 1 1 55 55 THR HA H 55 4.902 4.902 4.691 0.211 17892 264 1 1 . 1 1 55 55 THR CA C 55 60.449 60.449 60.147 0.302 17892 265 1 1 . 1 1 55 55 THR CB C 55 75.269 75.269 70.077 5.192 17892 266 1 1 . 1 1 55 55 THR H H 55 8.134 8.134 7.957 0.177 17892 267 1 1 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.408 0.181 17892 268 1 1 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.858 0.288 17892 269 1 1 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.327 0.154 17892 270 1 1 . 1 1 57 57 LEU N N 57 127.729 127.729 127.223 0.506 17892 271 1 1 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.094 -0.104 17892 272 1 1 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.824 1.674 17892 273 1 1 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.202 -0.159 17892 274 1 1 . 1 1 57 57 LEU H H 57 9.788 9.788 8.596 1.192 17892 275 1 1 . 1 1 58 58 GLU N N 58 123.764 123.764 117.998 5.766 17892 276 1 1 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.325 0.509 17892 277 1 1 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.979 0.059 17892 278 1 1 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.117 0.490 17892 279 1 1 . 1 1 58 58 GLU H H 58 9.188 9.188 8.610 0.578 17892 280 1 1 . 1 1 59 59 ASP N N 59 117.867 117.867 118.164 -0.297 17892 281 1 1 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.448 0.153 17892 282 1 1 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.300 -0.126 17892 283 1 1 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.519 0.022 17892 284 1 1 . 1 1 59 59 ASP H H 59 7.910 7.910 8.340 -0.430 17892 285 1 1 . 1 1 60 60 ILE N N 60 119.503 119.503 117.280 2.223 17892 286 1 1 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.629 -0.118 17892 287 1 1 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.722 0.625 17892 288 1 1 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.457 1.509 17892 289 1 1 . 1 1 60 60 ILE H H 60 8.104 8.104 7.004 1.100 17892 290 1 1 . 1 1 61 61 PHE N N 61 116.398 116.398 117.270 -0.872 17892 291 1 1 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.539 -0.079 17892 292 1 1 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.313 0.695 17892 293 1 1 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.655 3.176 17892 294 1 1 . 1 1 61 61 PHE H H 61 8.463 8.463 8.773 -0.310 17892 295 1 1 . 1 1 62 62 GLN N N 62 117.212 117.212 121.769 -4.557 17892 296 1 1 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.792 0.209 17892 297 1 1 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.980 0.599 17892 298 1 1 . 1 1 62 62 GLN CB C 62 32.378 32.378 30.772 1.606 17892 299 1 1 . 1 1 62 62 GLN H H 62 8.572 8.572 8.903 -0.331 17892 300 1 1 . 1 1 63 63 TRP N N 63 125.622 125.622 129.110 -3.488 17892 301 1 1 . 1 1 63 63 TRP HA H 63 5.176 5.176 5.163 0.013 17892 302 1 1 . 1 1 63 63 TRP CA C 63 57.152 57.152 56.818 0.334 17892 303 1 1 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.311 0.943 17892 304 1 1 . 1 1 63 63 TRP H H 63 9.278 9.278 8.923 0.355 17892 305 1 1 . 1 1 64 64 GLN N N 64 126.649 126.649 127.239 -0.590 17892 306 1 1 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.463 -0.257 17892 307 1 1 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.217 -0.330 17892 308 1 1 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.195 0.969 17892 309 1 1 . 1 1 64 64 GLN H H 64 7.841 7.841 8.945 -1.104 17892 310 1 1 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.894 0.712 17892 311 1 1 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.800 -0.698 17892 312 1 1 . 1 1 65 65 PRO CB C 65 32.050 32.050 30.042 2.008 17892 313 1 2 . 1 1 2 2 ILE N N 2 123.730 123.730 121.668 2.062 17892 314 1 2 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.759 0.228 17892 315 1 2 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.192 0.138 17892 316 1 2 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.417 0.160 17892 317 1 2 . 1 1 2 2 ILE H H 2 8.813 8.813 7.768 1.045 17892 318 1 2 . 1 1 3 3 ILE N N 3 129.451 129.451 129.070 0.381 17892 319 1 2 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.150 0.164 17892 320 1 2 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.920 -0.208 17892 321 1 2 . 1 1 3 3 ILE CB C 3 38.857 38.857 38.849 0.008 17892 322 1 2 . 1 1 3 3 ILE H H 3 9.355 9.355 9.328 0.027 17892 323 1 2 . 1 1 4 4 ASN N N 4 124.242 124.242 126.476 -2.234 17892 324 1 2 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.117 0.333 17892 325 1 2 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.172 -0.432 17892 326 1 2 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.432 2.126 17892 327 1 2 . 1 1 4 4 ASN H H 4 8.823 8.823 8.848 -0.025 17892 328 1 2 . 1 1 5 5 ASN N N 5 121.916 121.916 123.498 -1.582 17892 329 1 2 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.842 0.538 17892 330 1 2 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.909 -0.888 17892 331 1 2 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.981 1.156 17892 332 1 2 . 1 1 5 5 ASN H H 5 9.356 9.356 9.082 0.274 17892 333 1 2 . 1 1 6 6 LEU N N 6 120.873 120.873 123.028 -2.155 17892 334 1 2 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.760 -0.018 17892 335 1 2 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.150 0.955 17892 336 1 2 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.512 -0.157 17892 337 1 2 . 1 1 6 6 LEU H H 6 8.419 8.419 9.162 -0.743 17892 338 1 2 . 1 1 7 7 LYS N N 7 118.232 118.232 117.898 0.334 17892 339 1 2 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.943 -0.058 17892 340 1 2 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.419 1.438 17892 341 1 2 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.080 1.773 17892 342 1 2 . 1 1 7 7 LYS H H 7 8.820 8.820 8.394 0.426 17892 343 1 2 . 1 1 8 8 LEU N N 8 116.679 116.679 120.957 -4.278 17892 344 1 2 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.065 0.049 17892 345 1 2 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.303 0.915 17892 346 1 2 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.809 0.769 17892 347 1 2 . 1 1 8 8 LEU H H 8 7.443 7.443 7.533 -0.090 17892 348 1 2 . 1 1 9 9 ILE N N 9 119.043 119.043 119.281 -0.238 17892 349 1 2 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.552 0.227 17892 350 1 2 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.670 -2.264 17892 351 1 2 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.695 -0.770 17892 352 1 2 . 1 1 9 9 ILE H H 9 8.133 8.133 8.808 -0.675 17892 353 1 2 . 1 1 10 10 ARG N N 10 120.200 120.200 120.558 -0.358 17892 354 1 2 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.863 -0.021 17892 355 1 2 . 1 1 10 10 ARG CA C 10 61.277 61.277 59.996 1.281 17892 356 1 2 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.057 -1.023 17892 357 1 2 . 1 1 10 10 ARG H H 10 9.128 9.128 8.759 0.369 17892 358 1 2 . 1 1 11 11 GLU N N 11 116.457 116.457 118.346 -1.889 17892 359 1 2 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.085 0.029 17892 360 1 2 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.781 1.155 17892 361 1 2 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.885 0.579 17892 362 1 2 . 1 1 11 11 GLU H H 11 8.555 8.555 8.157 0.398 17892 363 1 2 . 1 1 12 12 LYS N N 12 122.500 122.500 117.406 5.094 17892 364 1 2 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.114 0.049 17892 365 1 2 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.458 1.508 17892 366 1 2 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.457 0.091 17892 367 1 2 . 1 1 12 12 LYS H H 12 8.169 8.169 7.236 0.933 17892 368 1 2 . 1 1 13 13 LYS N N 13 116.690 116.690 115.625 1.065 17892 369 1 2 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.432 -0.167 17892 370 1 2 . 1 1 13 13 LYS CA C 13 55.620 55.620 54.875 0.745 17892 371 1 2 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.658 -0.559 17892 372 1 2 . 1 1 13 13 LYS H H 13 7.748 7.748 7.825 -0.077 17892 373 1 2 . 1 1 14 14 LYS N N 14 115.251 115.251 116.373 -1.122 17892 374 1 2 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.890 0.024 17892 375 1 2 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.209 0.258 17892 376 1 2 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.284 -1.369 17892 377 1 2 . 1 1 14 14 LYS H H 14 7.978 7.978 8.165 -0.187 17892 378 1 2 . 1 1 15 15 ILE N N 15 118.640 118.640 119.733 -1.093 17892 379 1 2 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.090 0.477 17892 380 1 2 . 1 1 15 15 ILE CA C 15 59.621 59.621 60.371 -0.750 17892 381 1 2 . 1 1 15 15 ILE CB C 15 41.173 41.173 39.274 1.899 17892 382 1 2 . 1 1 15 15 ILE H H 15 7.508 7.508 7.393 0.115 17892 383 1 2 . 1 1 16 16 SER N N 16 124.827 124.827 122.820 2.007 17892 384 1 2 . 1 1 16 16 SER HA H 16 4.559 4.559 4.476 0.083 17892 385 1 2 . 1 1 16 16 SER CA C 16 57.422 57.422 58.921 -1.499 17892 386 1 2 . 1 1 16 16 SER CB C 16 65.249 65.249 63.916 1.333 17892 387 1 2 . 1 1 16 16 SER H H 16 9.220 9.220 9.698 -0.478 17892 388 1 2 . 1 1 17 17 GLN N N 17 120.457 120.457 124.293 -3.836 17892 389 1 2 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.936 -0.185 17892 390 1 2 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.097 1.180 17892 391 1 2 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.512 1.089 17892 392 1 2 . 1 1 17 17 GLN H H 17 9.364 9.364 8.995 0.369 17892 393 1 2 . 1 1 18 18 SER N N 18 112.796 112.796 114.858 -2.062 17892 394 1 2 . 1 1 18 18 SER HA H 18 4.739 4.739 4.068 0.671 17892 395 1 2 . 1 1 18 18 SER CA C 18 63.145 63.145 61.633 1.512 17892 396 1 2 . 1 1 18 18 SER CB C 18 65.724 65.724 62.233 3.491 17892 397 1 2 . 1 1 18 18 SER H H 18 8.680 8.680 8.624 0.056 17892 398 1 2 . 1 1 19 19 GLU N N 19 124.363 124.363 122.550 1.813 17892 399 1 2 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.077 -0.007 17892 400 1 2 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.752 0.558 17892 401 1 2 . 1 1 19 19 GLU CB C 19 30.191 30.191 28.960 1.231 17892 402 1 2 . 1 1 19 19 GLU H H 19 8.145 8.145 8.250 -0.105 17892 403 1 2 . 1 1 20 20 LEU N N 20 119.741 119.741 121.981 -2.240 17892 404 1 2 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.911 0.189 17892 405 1 2 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.852 0.255 17892 406 1 2 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.452 0.103 17892 407 1 2 . 1 1 20 20 LEU H H 20 8.161 8.161 8.391 -0.230 17892 408 1 2 . 1 1 21 21 ALA N N 21 119.970 119.970 121.936 -1.966 17892 409 1 2 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.920 -0.231 17892 410 1 2 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.267 0.554 17892 411 1 2 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.947 -0.548 17892 412 1 2 . 1 1 21 21 ALA H H 21 8.436 8.436 8.842 -0.406 17892 413 1 2 . 1 1 22 22 ALA N N 22 117.873 117.873 121.698 -3.825 17892 414 1 2 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.993 0.211 17892 415 1 2 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.751 0.310 17892 416 1 2 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.530 -0.295 17892 417 1 2 . 1 1 22 22 ALA H H 22 7.709 7.709 8.241 -0.532 17892 418 1 2 . 1 1 23 23 LEU N N 23 118.771 118.771 118.871 -0.100 17892 419 1 2 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.406 0.509 17892 420 1 2 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.112 0.538 17892 421 1 2 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.854 1.080 17892 422 1 2 . 1 1 23 23 LEU H H 23 7.543 7.543 8.307 -0.764 17892 423 1 2 . 1 1 24 24 LEU N N 24 114.703 114.703 118.501 -3.798 17892 424 1 2 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.254 0.008 17892 425 1 2 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.506 -1.655 17892 426 1 2 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.146 1.837 17892 427 1 2 . 1 1 24 24 LEU H H 24 7.430 7.430 8.719 -1.289 17892 428 1 2 . 1 1 25 25 GLU N N 25 115.450 115.450 114.443 1.007 17892 429 1 2 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.049 -0.143 17892 430 1 2 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.164 0.622 17892 431 1 2 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.302 0.240 17892 432 1 2 . 1 1 25 25 GLU H H 25 7.987 7.987 8.464 -0.477 17892 433 1 2 . 1 1 26 26 VAL N N 26 110.029 110.029 111.850 -1.821 17892 434 1 2 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.606 0.234 17892 435 1 2 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.392 -0.561 17892 436 1 2 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.460 0.129 17892 437 1 2 . 1 1 26 26 VAL H H 26 7.908 7.908 8.062 -0.154 17892 438 1 2 . 1 1 27 27 SER N N 27 114.372 114.372 115.947 -1.575 17892 439 1 2 . 1 1 27 27 SER HA H 27 4.761 4.761 4.451 0.310 17892 440 1 2 . 1 1 27 27 SER CA C 27 56.661 56.661 58.621 -1.960 17892 441 1 2 . 1 1 27 27 SER CB C 27 62.712 62.712 64.051 -1.339 17892 442 1 2 . 1 1 27 27 SER H H 27 8.401 8.401 8.347 0.054 17892 443 1 2 . 1 1 28 28 ARG N N 28 115.199 115.199 124.350 -9.151 17892 444 1 2 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.950 -0.220 17892 445 1 2 . 1 1 28 28 ARG CA C 28 60.378 60.378 59.919 0.459 17892 446 1 2 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.096 -0.496 17892 447 1 2 . 1 1 28 28 ARG H H 28 8.150 8.150 8.885 -0.735 17892 448 1 2 . 1 1 29 29 GLN N N 29 117.559 117.559 116.732 0.827 17892 449 1 2 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.070 0.042 17892 450 1 2 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.621 0.014 17892 451 1 2 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.086 0.032 17892 452 1 2 . 1 1 29 29 GLN H H 29 8.674 8.674 8.924 -0.250 17892 453 1 2 . 1 1 30 30 THR N N 30 119.900 119.900 116.171 3.729 17892 454 1 2 . 1 1 30 30 THR HA H 30 4.373 4.373 4.301 0.072 17892 455 1 2 . 1 1 30 30 THR CA C 30 68.235 68.235 66.347 1.888 17892 456 1 2 . 1 1 30 30 THR CB C 30 66.938 66.938 68.554 -1.616 17892 457 1 2 . 1 1 30 30 THR H H 30 7.995 7.995 8.080 -0.085 17892 458 1 2 . 1 1 31 31 ILE N N 31 119.083 119.083 123.563 -4.480 17892 459 1 2 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.838 -0.094 17892 460 1 2 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.932 -1.616 17892 461 1 2 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.726 -1.099 17892 462 1 2 . 1 1 31 31 ILE H H 31 7.118 7.118 7.355 -0.237 17892 463 1 2 . 1 1 32 32 ASN N N 32 118.406 118.406 119.292 -0.886 17892 464 1 2 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.439 -0.113 17892 465 1 2 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.343 0.274 17892 466 1 2 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.333 1.163 17892 467 1 2 . 1 1 32 32 ASN H H 32 8.533 8.533 8.882 -0.349 17892 468 1 2 . 1 1 33 33 GLY N N 33 125.014 125.014 109.132 15.882 17892 469 1 2 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.246 0.444 17892 470 1 2 . 1 1 33 33 GLY H H 33 8.477 8.477 8.848 -0.371 17892 471 1 2 . 1 1 34 34 ILE N N 34 122.677 122.677 123.074 -0.397 17892 472 1 2 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.638 0.619 17892 473 1 2 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.618 0.634 17892 474 1 2 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.943 0.893 17892 475 1 2 . 1 1 34 34 ILE H H 34 8.178 8.178 8.011 0.167 17892 476 1 2 . 1 1 35 35 GLU N N 35 120.928 120.928 121.194 -0.266 17892 477 1 2 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.951 0.212 17892 478 1 2 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.765 0.565 17892 479 1 2 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.574 -0.172 17892 480 1 2 . 1 1 35 35 GLU H H 35 8.537 8.537 8.742 -0.205 17892 481 1 2 . 1 1 36 36 LYS N N 36 116.174 116.174 116.750 -0.576 17892 482 1 2 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.220 0.250 17892 483 1 2 . 1 1 36 36 LYS CA C 36 56.029 56.029 54.496 1.533 17892 484 1 2 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.113 1.377 17892 485 1 2 . 1 1 36 36 LYS H H 36 7.978 7.978 8.576 -0.598 17892 486 1 2 . 1 1 37 37 ASN N N 37 114.939 114.939 115.214 -0.275 17892 487 1 2 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.376 0.292 17892 488 1 2 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.326 0.726 17892 489 1 2 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.359 1.169 17892 490 1 2 . 1 1 37 37 ASN H H 37 8.150 8.150 8.222 -0.072 17892 491 1 2 . 1 1 38 38 LYS N N 38 115.469 115.469 118.493 -3.024 17892 492 1 2 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.051 0.334 17892 493 1 2 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.642 -1.882 17892 494 1 2 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.416 0.177 17892 495 1 2 . 1 1 38 38 LYS H H 38 8.586 8.586 8.309 0.277 17892 496 1 2 . 1 1 39 39 TYR N N 39 117.011 117.011 112.803 4.208 17892 497 1 2 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.742 -0.123 17892 498 1 2 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.569 0.431 17892 499 1 2 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.277 1.176 17892 500 1 2 . 1 1 39 39 TYR H H 39 7.028 7.028 6.964 0.064 17892 501 1 2 . 1 1 40 40 ASN N N 40 123.592 123.592 120.954 2.638 17892 502 1 2 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.885 0.296 17892 503 1 2 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.240 -1.005 17892 504 1 2 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.060 -0.034 17892 505 1 2 . 1 1 40 40 ASN H H 40 8.618 8.618 8.523 0.095 17892 506 1 2 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.520 -0.756 17892 507 1 2 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.562 0.486 17892 508 1 2 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.315 -0.182 17892 509 1 2 . 1 1 42 42 SER N N 42 125.240 125.240 114.918 10.322 17892 510 1 2 . 1 1 42 42 SER HA H 42 4.530 4.530 4.293 0.237 17892 511 1 2 . 1 1 42 42 SER CA C 42 58.052 58.052 57.745 0.307 17892 512 1 2 . 1 1 42 42 SER CB C 42 64.643 64.643 63.926 0.717 17892 513 1 2 . 1 1 42 42 SER H H 42 7.798 7.798 8.163 -0.365 17892 514 1 2 . 1 1 43 43 LEU N N 43 121.149 121.149 124.451 -3.302 17892 515 1 2 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.031 -0.166 17892 516 1 2 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.370 0.481 17892 517 1 2 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.560 -0.154 17892 518 1 2 . 1 1 43 43 LEU H H 43 9.134 9.134 8.712 0.422 17892 519 1 2 . 1 1 44 44 GLN N N 44 115.817 115.817 118.998 -3.181 17892 520 1 2 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.076 -0.384 17892 521 1 2 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.478 1.167 17892 522 1 2 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.264 0.536 17892 523 1 2 . 1 1 44 44 GLN H H 44 8.743 8.743 8.651 0.092 17892 524 1 2 . 1 1 45 45 LEU N N 45 119.397 119.397 118.898 0.499 17892 525 1 2 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.965 -0.077 17892 526 1 2 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.568 -2.512 17892 527 1 2 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.426 -0.249 17892 528 1 2 . 1 1 45 45 LEU H H 45 7.895 7.895 8.119 -0.224 17892 529 1 2 . 1 1 46 46 ALA N N 46 120.694 120.694 122.639 -1.945 17892 530 1 2 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.209 -0.217 17892 531 1 2 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.397 0.681 17892 532 1 2 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.129 1.824 17892 533 1 2 . 1 1 46 46 ALA H H 46 8.437 8.437 8.282 0.155 17892 534 1 2 . 1 1 47 47 LEU N N 47 116.298 116.298 118.933 -2.635 17892 535 1 2 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.899 0.256 17892 536 1 2 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.164 -0.113 17892 537 1 2 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.627 0.957 17892 538 1 2 . 1 1 47 47 LEU H H 47 8.552 8.552 8.899 -0.347 17892 539 1 2 . 1 1 48 48 LYS N N 48 120.836 120.836 120.525 0.311 17892 540 1 2 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.875 -0.352 17892 541 1 2 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.137 0.325 17892 542 1 2 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.495 0.640 17892 543 1 2 . 1 1 48 48 LYS H H 48 7.863 7.863 8.351 -0.488 17892 544 1 2 . 1 1 49 49 ILE N N 49 120.259 120.259 120.088 0.171 17892 545 1 2 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.848 -0.284 17892 546 1 2 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.720 1.814 17892 547 1 2 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.924 0.279 17892 548 1 2 . 1 1 49 49 ILE H H 49 8.621 8.621 8.560 0.061 17892 549 1 2 . 1 1 50 50 ALA N N 50 120.672 120.672 123.766 -3.094 17892 550 1 2 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.162 -0.143 17892 551 1 2 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.150 0.857 17892 552 1 2 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.374 0.181 17892 553 1 2 . 1 1 50 50 ALA H H 50 8.033 8.033 8.342 -0.309 17892 554 1 2 . 1 1 51 51 TYR N N 51 117.393 117.393 120.235 -2.842 17892 555 1 2 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.040 0.266 17892 556 1 2 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.395 -0.468 17892 557 1 2 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.549 0.224 17892 558 1 2 . 1 1 51 51 TYR H H 51 8.108 8.108 8.885 -0.777 17892 559 1 2 . 1 1 52 52 TYR N N 52 118.419 118.419 118.748 -0.329 17892 560 1 2 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.326 -0.036 17892 561 1 2 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.837 1.328 17892 562 1 2 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.670 -0.642 17892 563 1 2 . 1 1 52 52 TYR H H 52 8.891 8.891 8.814 0.077 17892 564 1 2 . 1 1 53 53 LEU N N 53 115.657 115.657 116.213 -0.556 17892 565 1 2 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.381 0.089 17892 566 1 2 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.847 -0.227 17892 567 1 2 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.804 -1.158 17892 568 1 2 . 1 1 53 53 LEU H H 53 8.182 8.182 8.484 -0.302 17892 569 1 2 . 1 1 54 54 ASN N N 54 122.127 122.127 115.591 6.536 17892 570 1 2 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.263 0.145 17892 571 1 2 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.073 0.095 17892 572 1 2 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.114 1.052 17892 573 1 2 . 1 1 54 54 ASN H H 54 8.048 8.048 8.183 -0.135 17892 574 1 2 . 1 1 55 55 THR N N 55 115.087 115.087 115.502 -0.415 17892 575 1 2 . 1 1 55 55 THR HA H 55 4.902 4.902 4.742 0.160 17892 576 1 2 . 1 1 55 55 THR CA C 55 60.449 60.449 59.893 0.556 17892 577 1 2 . 1 1 55 55 THR CB C 55 75.269 75.269 70.656 4.613 17892 578 1 2 . 1 1 55 55 THR H H 55 8.134 8.134 8.146 -0.012 17892 579 1 2 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.377 0.212 17892 580 1 2 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.814 0.331 17892 581 1 2 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.329 0.152 17892 582 1 2 . 1 1 57 57 LEU N N 57 127.729 127.729 126.204 1.525 17892 583 1 2 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.083 -0.093 17892 584 1 2 . 1 1 57 57 LEU CA C 57 60.498 60.498 59.113 1.385 17892 585 1 2 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.200 -0.157 17892 586 1 2 . 1 1 57 57 LEU H H 57 9.788 9.788 8.601 1.187 17892 587 1 2 . 1 1 58 58 GLU N N 58 123.764 123.764 119.585 4.179 17892 588 1 2 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.263 0.571 17892 589 1 2 . 1 1 58 58 GLU CA C 58 59.038 59.038 59.596 -0.558 17892 590 1 2 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.604 1.004 17892 591 1 2 . 1 1 58 58 GLU H H 58 9.188 9.188 8.718 0.470 17892 592 1 2 . 1 1 59 59 ASP N N 59 117.867 117.867 117.497 0.370 17892 593 1 2 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.435 0.166 17892 594 1 2 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.274 -0.101 17892 595 1 2 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.763 -0.222 17892 596 1 2 . 1 1 59 59 ASP H H 59 7.910 7.910 7.751 0.159 17892 597 1 2 . 1 1 60 60 ILE N N 60 119.503 119.503 117.320 2.183 17892 598 1 2 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.608 -0.097 17892 599 1 2 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.880 0.467 17892 600 1 2 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.506 1.460 17892 601 1 2 . 1 1 60 60 ILE H H 60 8.104 8.104 7.158 0.946 17892 602 1 2 . 1 1 61 61 PHE N N 61 116.398 116.398 117.629 -1.231 17892 603 1 2 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.568 -0.108 17892 604 1 2 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.461 0.548 17892 605 1 2 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.940 2.891 17892 606 1 2 . 1 1 61 61 PHE H H 61 8.463 8.463 8.667 -0.204 17892 607 1 2 . 1 1 62 62 GLN N N 62 117.212 117.212 121.657 -4.445 17892 608 1 2 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.874 0.127 17892 609 1 2 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.889 0.690 17892 610 1 2 . 1 1 62 62 GLN CB C 62 32.378 32.378 30.901 1.477 17892 611 1 2 . 1 1 62 62 GLN H H 62 8.572 8.572 9.041 -0.469 17892 612 1 2 . 1 1 63 63 TRP N N 63 125.622 125.622 128.658 -3.036 17892 613 1 2 . 1 1 63 63 TRP HA H 63 5.176 5.176 5.074 0.102 17892 614 1 2 . 1 1 63 63 TRP CA C 63 57.152 57.152 56.771 0.381 17892 615 1 2 . 1 1 63 63 TRP CB C 63 31.254 31.254 31.006 0.247 17892 616 1 2 . 1 1 63 63 TRP H H 63 9.278 9.278 8.960 0.318 17892 617 1 2 . 1 1 64 64 GLN N N 64 126.649 126.649 126.126 0.523 17892 618 1 2 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.564 -0.358 17892 619 1 2 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.235 -0.348 17892 620 1 2 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.274 0.890 17892 621 1 2 . 1 1 64 64 GLN H H 64 7.841 7.841 7.382 0.459 17892 622 1 2 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.795 0.811 17892 623 1 2 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.850 -0.748 17892 624 1 2 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.171 -0.121 17892 625 1 3 . 1 1 2 2 ILE N N 2 123.730 123.730 121.677 2.053 17892 626 1 3 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.939 0.048 17892 627 1 3 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.297 0.033 17892 628 1 3 . 1 1 2 2 ILE CB C 2 39.577 39.577 40.078 -0.501 17892 629 1 3 . 1 1 2 2 ILE H H 2 8.813 8.813 8.106 0.707 17892 630 1 3 . 1 1 3 3 ILE N N 3 129.451 129.451 126.788 2.663 17892 631 1 3 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.175 0.139 17892 632 1 3 . 1 1 3 3 ILE CA C 3 60.712 60.712 59.250 1.462 17892 633 1 3 . 1 1 3 3 ILE CB C 3 38.857 38.857 37.397 1.460 17892 634 1 3 . 1 1 3 3 ILE H H 3 9.355 9.355 9.087 0.268 17892 635 1 3 . 1 1 4 4 ASN N N 4 124.242 124.242 125.860 -1.618 17892 636 1 3 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.917 0.533 17892 637 1 3 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.542 -0.802 17892 638 1 3 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.311 2.247 17892 639 1 3 . 1 1 4 4 ASN H H 4 8.823 8.823 8.493 0.330 17892 640 1 3 . 1 1 5 5 ASN N N 5 121.916 121.916 123.431 -1.515 17892 641 1 3 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.838 0.542 17892 642 1 3 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.855 -0.834 17892 643 1 3 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.367 0.770 17892 644 1 3 . 1 1 5 5 ASN H H 5 9.356 9.356 8.960 0.396 17892 645 1 3 . 1 1 6 6 LEU N N 6 120.873 120.873 122.726 -1.853 17892 646 1 3 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.805 -0.063 17892 647 1 3 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.157 0.947 17892 648 1 3 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.618 -0.263 17892 649 1 3 . 1 1 6 6 LEU H H 6 8.419 8.419 9.146 -0.727 17892 650 1 3 . 1 1 7 7 LYS N N 7 118.232 118.232 117.339 0.893 17892 651 1 3 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.028 -0.143 17892 652 1 3 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.247 1.610 17892 653 1 3 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.302 1.551 17892 654 1 3 . 1 1 7 7 LYS H H 7 8.820 8.820 8.253 0.567 17892 655 1 3 . 1 1 8 8 LEU N N 8 116.679 116.679 120.373 -3.694 17892 656 1 3 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.057 0.057 17892 657 1 3 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.280 0.938 17892 658 1 3 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.761 0.817 17892 659 1 3 . 1 1 8 8 LEU H H 8 7.443 7.443 7.617 -0.174 17892 660 1 3 . 1 1 9 9 ILE N N 9 119.043 119.043 118.712 0.331 17892 661 1 3 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.577 0.202 17892 662 1 3 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.044 -1.638 17892 663 1 3 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.581 -0.656 17892 664 1 3 . 1 1 9 9 ILE H H 9 8.133 8.133 8.213 -0.080 17892 665 1 3 . 1 1 10 10 ARG N N 10 120.200 120.200 120.594 -0.394 17892 666 1 3 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.847 -0.005 17892 667 1 3 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.124 1.153 17892 668 1 3 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.013 -0.979 17892 669 1 3 . 1 1 10 10 ARG H H 10 9.128 9.128 8.868 0.260 17892 670 1 3 . 1 1 11 11 GLU N N 11 116.457 116.457 117.134 -0.677 17892 671 1 3 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.148 -0.034 17892 672 1 3 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.856 1.079 17892 673 1 3 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.969 0.495 17892 674 1 3 . 1 1 11 11 GLU H H 11 8.555 8.555 8.130 0.425 17892 675 1 3 . 1 1 12 12 LYS N N 12 122.500 122.500 121.049 1.451 17892 676 1 3 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.051 0.112 17892 677 1 3 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.429 0.537 17892 678 1 3 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.234 0.314 17892 679 1 3 . 1 1 12 12 LYS H H 12 8.169 8.169 7.413 0.756 17892 680 1 3 . 1 1 13 13 LYS N N 13 116.690 116.690 116.352 0.338 17892 681 1 3 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.206 0.059 17892 682 1 3 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.589 0.031 17892 683 1 3 . 1 1 13 13 LYS CB C 13 32.099 32.099 31.760 0.339 17892 684 1 3 . 1 1 13 13 LYS H H 13 7.748 7.748 8.102 -0.354 17892 685 1 3 . 1 1 14 14 LYS N N 14 115.251 115.251 114.386 0.865 17892 686 1 3 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.886 0.028 17892 687 1 3 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.088 0.379 17892 688 1 3 . 1 1 14 14 LYS CB C 14 28.915 28.915 29.227 -0.312 17892 689 1 3 . 1 1 14 14 LYS H H 14 7.978 7.978 7.915 0.063 17892 690 1 3 . 1 1 15 15 ILE N N 15 118.640 118.640 120.373 -1.733 17892 691 1 3 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.267 0.300 17892 692 1 3 . 1 1 15 15 ILE CA C 15 59.621 59.621 60.457 -0.836 17892 693 1 3 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.465 0.708 17892 694 1 3 . 1 1 15 15 ILE H H 15 7.508 7.508 7.753 -0.245 17892 695 1 3 . 1 1 16 16 SER N N 16 124.827 124.827 121.544 3.283 17892 696 1 3 . 1 1 16 16 SER HA H 16 4.559 4.559 4.612 -0.053 17892 697 1 3 . 1 1 16 16 SER CA C 16 57.422 57.422 57.351 0.071 17892 698 1 3 . 1 1 16 16 SER CB C 16 65.249 65.249 65.252 -0.003 17892 699 1 3 . 1 1 16 16 SER H H 16 9.220 9.220 9.568 -0.348 17892 700 1 3 . 1 1 17 17 GLN N N 17 120.457 120.457 122.533 -2.076 17892 701 1 3 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.986 -0.235 17892 702 1 3 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.212 1.065 17892 703 1 3 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.338 1.263 17892 704 1 3 . 1 1 17 17 GLN H H 17 9.364 9.364 8.983 0.381 17892 705 1 3 . 1 1 18 18 SER N N 18 112.796 112.796 114.948 -2.152 17892 706 1 3 . 1 1 18 18 SER HA H 18 4.739 4.739 4.061 0.678 17892 707 1 3 . 1 1 18 18 SER CA C 18 63.145 63.145 62.338 0.807 17892 708 1 3 . 1 1 18 18 SER CB C 18 65.724 65.724 62.621 3.103 17892 709 1 3 . 1 1 18 18 SER H H 18 8.680 8.680 8.647 0.033 17892 710 1 3 . 1 1 19 19 GLU N N 19 124.363 124.363 121.590 2.773 17892 711 1 3 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.070 0.000 17892 712 1 3 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.568 0.742 17892 713 1 3 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.471 0.720 17892 714 1 3 . 1 1 19 19 GLU H H 19 8.145 8.145 7.680 0.465 17892 715 1 3 . 1 1 20 20 LEU N N 20 119.741 119.741 122.145 -2.404 17892 716 1 3 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.915 0.185 17892 717 1 3 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.763 0.344 17892 718 1 3 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.442 0.113 17892 719 1 3 . 1 1 20 20 LEU H H 20 8.161 8.161 8.346 -0.185 17892 720 1 3 . 1 1 21 21 ALA N N 21 119.970 119.970 121.128 -1.158 17892 721 1 3 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.936 -0.247 17892 722 1 3 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.156 0.664 17892 723 1 3 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.953 -0.555 17892 724 1 3 . 1 1 21 21 ALA H H 21 8.436 8.436 8.707 -0.271 17892 725 1 3 . 1 1 22 22 ALA N N 22 117.873 117.873 121.471 -3.598 17892 726 1 3 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.997 0.207 17892 727 1 3 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.644 0.417 17892 728 1 3 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.436 -0.201 17892 729 1 3 . 1 1 22 22 ALA H H 22 7.709 7.709 7.423 0.286 17892 730 1 3 . 1 1 23 23 LEU N N 23 118.771 118.771 118.384 0.387 17892 731 1 3 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.530 0.385 17892 732 1 3 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.062 0.588 17892 733 1 3 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.909 1.025 17892 734 1 3 . 1 1 23 23 LEU H H 23 7.543 7.543 7.956 -0.413 17892 735 1 3 . 1 1 24 24 LEU N N 24 114.703 114.703 118.237 -3.534 17892 736 1 3 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.271 -0.009 17892 737 1 3 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.389 -1.538 17892 738 1 3 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.137 1.846 17892 739 1 3 . 1 1 24 24 LEU H H 24 7.430 7.430 8.421 -0.991 17892 740 1 3 . 1 1 25 25 GLU N N 25 115.450 115.450 113.571 1.879 17892 741 1 3 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.988 -0.082 17892 742 1 3 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.085 0.701 17892 743 1 3 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.362 0.181 17892 744 1 3 . 1 1 25 25 GLU H H 25 7.987 7.987 8.310 -0.323 17892 745 1 3 . 1 1 26 26 VAL N N 26 110.029 110.029 112.442 -2.413 17892 746 1 3 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.675 0.165 17892 747 1 3 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.493 -0.662 17892 748 1 3 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.485 0.104 17892 749 1 3 . 1 1 26 26 VAL H H 26 7.908 7.908 7.987 -0.079 17892 750 1 3 . 1 1 27 27 SER N N 27 114.372 114.372 115.732 -1.360 17892 751 1 3 . 1 1 27 27 SER HA H 27 4.761 4.761 4.539 0.222 17892 752 1 3 . 1 1 27 27 SER CA C 27 56.661 56.661 57.619 -0.958 17892 753 1 3 . 1 1 27 27 SER CB C 27 62.712 62.712 64.570 -1.858 17892 754 1 3 . 1 1 27 27 SER H H 27 8.401 8.401 8.295 0.106 17892 755 1 3 . 1 1 28 28 ARG N N 28 115.199 115.199 123.253 -8.054 17892 756 1 3 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.004 -0.274 17892 757 1 3 . 1 1 28 28 ARG CA C 28 60.378 60.378 59.905 0.473 17892 758 1 3 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.066 -0.466 17892 759 1 3 . 1 1 28 28 ARG H H 28 8.150 8.150 9.024 -0.874 17892 760 1 3 . 1 1 29 29 GLN N N 29 117.559 117.559 116.165 1.394 17892 761 1 3 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.101 0.011 17892 762 1 3 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.589 0.046 17892 763 1 3 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.229 -0.111 17892 764 1 3 . 1 1 29 29 GLN H H 29 8.674 8.674 8.831 -0.157 17892 765 1 3 . 1 1 30 30 THR N N 30 119.900 119.900 117.365 2.535 17892 766 1 3 . 1 1 30 30 THR HA H 30 4.373 4.373 4.273 0.100 17892 767 1 3 . 1 1 30 30 THR CA C 30 68.235 68.235 66.937 1.298 17892 768 1 3 . 1 1 30 30 THR CB C 30 66.938 66.938 68.567 -1.629 17892 769 1 3 . 1 1 30 30 THR H H 30 7.995 7.995 7.520 0.475 17892 770 1 3 . 1 1 31 31 ILE N N 31 119.083 119.083 122.708 -3.625 17892 771 1 3 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.722 0.022 17892 772 1 3 . 1 1 31 31 ILE CA C 31 62.316 62.316 64.100 -1.784 17892 773 1 3 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.573 -0.946 17892 774 1 3 . 1 1 31 31 ILE H H 31 7.118 7.118 8.089 -0.971 17892 775 1 3 . 1 1 32 32 ASN N N 32 118.406 118.406 119.244 -0.838 17892 776 1 3 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.447 -0.121 17892 777 1 3 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.315 0.302 17892 778 1 3 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.386 1.109 17892 779 1 3 . 1 1 32 32 ASN H H 32 8.533 8.533 8.938 -0.405 17892 780 1 3 . 1 1 33 33 GLY N N 33 125.014 125.014 109.053 15.961 17892 781 1 3 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.192 0.498 17892 782 1 3 . 1 1 33 33 GLY H H 33 8.477 8.477 8.821 -0.344 17892 783 1 3 . 1 1 34 34 ILE N N 34 122.677 122.677 123.039 -0.362 17892 784 1 3 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.752 0.505 17892 785 1 3 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.348 0.904 17892 786 1 3 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.929 0.907 17892 787 1 3 . 1 1 34 34 ILE H H 34 8.178 8.178 7.431 0.747 17892 788 1 3 . 1 1 35 35 GLU N N 35 120.928 120.928 119.136 1.792 17892 789 1 3 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.978 0.185 17892 790 1 3 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.902 0.428 17892 791 1 3 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.464 -0.062 17892 792 1 3 . 1 1 35 35 GLU H H 35 8.537 8.537 8.555 -0.018 17892 793 1 3 . 1 1 36 36 LYS N N 36 116.174 116.174 116.850 -0.676 17892 794 1 3 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.238 0.232 17892 795 1 3 . 1 1 36 36 LYS CA C 36 56.029 56.029 56.215 -0.186 17892 796 1 3 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.515 -0.026 17892 797 1 3 . 1 1 36 36 LYS H H 36 7.978 7.978 8.431 -0.453 17892 798 1 3 . 1 1 37 37 ASN N N 37 114.939 114.939 115.056 -0.117 17892 799 1 3 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.388 0.280 17892 800 1 3 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.546 0.506 17892 801 1 3 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.651 0.878 17892 802 1 3 . 1 1 37 37 ASN H H 37 8.150 8.150 8.097 0.053 17892 803 1 3 . 1 1 38 38 LYS N N 38 115.469 115.469 117.507 -2.038 17892 804 1 3 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.056 0.329 17892 805 1 3 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.733 -1.973 17892 806 1 3 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.113 0.480 17892 807 1 3 . 1 1 38 38 LYS H H 38 8.586 8.586 8.384 0.202 17892 808 1 3 . 1 1 39 39 TYR N N 39 117.011 117.011 113.493 3.518 17892 809 1 3 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.795 -0.176 17892 810 1 3 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.349 0.651 17892 811 1 3 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.250 1.203 17892 812 1 3 . 1 1 39 39 TYR H H 39 7.028 7.028 7.038 -0.010 17892 813 1 3 . 1 1 40 40 ASN N N 40 123.592 123.592 120.511 3.081 17892 814 1 3 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.835 0.346 17892 815 1 3 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.029 -0.794 17892 816 1 3 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.125 -0.099 17892 817 1 3 . 1 1 40 40 ASN H H 40 8.618 8.618 8.470 0.148 17892 818 1 3 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.521 -0.757 17892 819 1 3 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.394 0.654 17892 820 1 3 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.166 -0.033 17892 821 1 3 . 1 1 42 42 SER N N 42 125.240 125.240 115.514 9.726 17892 822 1 3 . 1 1 42 42 SER HA H 42 4.530 4.530 4.293 0.237 17892 823 1 3 . 1 1 42 42 SER CA C 42 58.052 58.052 58.758 -0.706 17892 824 1 3 . 1 1 42 42 SER CB C 42 64.643 64.643 63.906 0.737 17892 825 1 3 . 1 1 42 42 SER H H 42 7.798 7.798 8.273 -0.475 17892 826 1 3 . 1 1 43 43 LEU N N 43 121.149 121.149 125.591 -4.442 17892 827 1 3 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.040 -0.175 17892 828 1 3 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.684 0.167 17892 829 1 3 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.660 -0.254 17892 830 1 3 . 1 1 43 43 LEU H H 43 9.134 9.134 8.725 0.409 17892 831 1 3 . 1 1 44 44 GLN N N 44 115.817 115.817 118.989 -3.172 17892 832 1 3 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.095 -0.403 17892 833 1 3 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.368 1.277 17892 834 1 3 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.230 0.570 17892 835 1 3 . 1 1 44 44 GLN H H 44 8.743 8.743 8.641 0.102 17892 836 1 3 . 1 1 45 45 LEU N N 45 119.397 119.397 119.486 -0.089 17892 837 1 3 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.982 -0.094 17892 838 1 3 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.571 -2.515 17892 839 1 3 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.393 -0.216 17892 840 1 3 . 1 1 45 45 LEU H H 45 7.895 7.895 8.046 -0.151 17892 841 1 3 . 1 1 46 46 ALA N N 46 120.694 120.694 122.541 -1.847 17892 842 1 3 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.947 0.045 17892 843 1 3 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.324 0.754 17892 844 1 3 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.045 1.908 17892 845 1 3 . 1 1 46 46 ALA H H 46 8.437 8.437 8.785 -0.348 17892 846 1 3 . 1 1 47 47 LEU N N 47 116.298 116.298 118.832 -2.534 17892 847 1 3 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.889 0.266 17892 848 1 3 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.081 -0.030 17892 849 1 3 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.596 0.987 17892 850 1 3 . 1 1 47 47 LEU H H 47 8.552 8.552 8.831 -0.279 17892 851 1 3 . 1 1 48 48 LYS N N 48 120.836 120.836 120.028 0.808 17892 852 1 3 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.856 -0.333 17892 853 1 3 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.218 0.245 17892 854 1 3 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.518 0.617 17892 855 1 3 . 1 1 48 48 LYS H H 48 7.863 7.863 8.703 -0.840 17892 856 1 3 . 1 1 49 49 ILE N N 49 120.259 120.259 120.335 -0.076 17892 857 1 3 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.883 -0.319 17892 858 1 3 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.891 1.643 17892 859 1 3 . 1 1 49 49 ILE CB C 49 38.203 38.203 38.003 0.200 17892 860 1 3 . 1 1 49 49 ILE H H 49 8.621 8.621 8.531 0.090 17892 861 1 3 . 1 1 50 50 ALA N N 50 120.672 120.672 123.612 -2.940 17892 862 1 3 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.199 -0.180 17892 863 1 3 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.104 0.903 17892 864 1 3 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.393 0.162 17892 865 1 3 . 1 1 50 50 ALA H H 50 8.033 8.033 8.537 -0.504 17892 866 1 3 . 1 1 51 51 TYR N N 51 117.393 117.393 120.551 -3.158 17892 867 1 3 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.031 0.275 17892 868 1 3 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.165 -0.238 17892 869 1 3 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.474 0.299 17892 870 1 3 . 1 1 51 51 TYR H H 51 8.108 8.108 8.634 -0.526 17892 871 1 3 . 1 1 52 52 TYR N N 52 118.419 118.419 118.013 0.406 17892 872 1 3 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.298 -0.008 17892 873 1 3 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.739 1.426 17892 874 1 3 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.866 -0.838 17892 875 1 3 . 1 1 52 52 TYR H H 52 8.891 8.891 8.740 0.151 17892 876 1 3 . 1 1 53 53 LEU N N 53 115.657 115.657 116.726 -1.069 17892 877 1 3 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.408 0.062 17892 878 1 3 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.811 -0.191 17892 879 1 3 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.926 -1.280 17892 880 1 3 . 1 1 53 53 LEU H H 53 8.182 8.182 8.626 -0.444 17892 881 1 3 . 1 1 54 54 ASN N N 54 122.127 122.127 116.059 6.068 17892 882 1 3 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.347 0.061 17892 883 1 3 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.144 0.024 17892 884 1 3 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.327 0.840 17892 885 1 3 . 1 1 54 54 ASN H H 54 8.048 8.048 7.846 0.202 17892 886 1 3 . 1 1 55 55 THR N N 55 115.087 115.087 115.018 0.069 17892 887 1 3 . 1 1 55 55 THR HA H 55 4.902 4.902 4.819 0.083 17892 888 1 3 . 1 1 55 55 THR CA C 55 60.449 60.449 60.414 0.035 17892 889 1 3 . 1 1 55 55 THR CB C 55 75.269 75.269 70.594 4.675 17892 890 1 3 . 1 1 55 55 THR H H 55 8.134 8.134 8.182 -0.048 17892 891 1 3 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.477 0.112 17892 892 1 3 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.653 0.492 17892 893 1 3 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.427 0.054 17892 894 1 3 . 1 1 57 57 LEU N N 57 127.729 127.729 126.139 1.590 17892 895 1 3 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.142 -0.152 17892 896 1 3 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.995 1.503 17892 897 1 3 . 1 1 57 57 LEU CB C 57 42.043 42.043 41.972 0.071 17892 898 1 3 . 1 1 57 57 LEU H H 57 9.788 9.788 8.582 1.206 17892 899 1 3 . 1 1 58 58 GLU N N 58 123.764 123.764 119.190 4.574 17892 900 1 3 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.386 0.448 17892 901 1 3 . 1 1 58 58 GLU CA C 58 59.038 59.038 59.578 -0.540 17892 902 1 3 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.463 1.145 17892 903 1 3 . 1 1 58 58 GLU H H 58 9.188 9.188 8.818 0.370 17892 904 1 3 . 1 1 59 59 ASP N N 59 117.867 117.867 117.738 0.129 17892 905 1 3 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.424 0.177 17892 906 1 3 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.123 0.050 17892 907 1 3 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.594 -0.053 17892 908 1 3 . 1 1 59 59 ASP H H 59 7.910 7.910 7.788 0.122 17892 909 1 3 . 1 1 60 60 ILE N N 60 119.503 119.503 117.652 1.851 17892 910 1 3 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.674 -0.163 17892 911 1 3 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.719 0.628 17892 912 1 3 . 1 1 60 60 ILE CB C 60 39.966 39.966 39.028 0.938 17892 913 1 3 . 1 1 60 60 ILE H H 60 8.104 8.104 7.444 0.660 17892 914 1 3 . 1 1 61 61 PHE N N 61 116.398 116.398 116.455 -0.057 17892 915 1 3 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.789 -0.329 17892 916 1 3 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.525 0.483 17892 917 1 3 . 1 1 61 61 PHE CB C 61 42.831 42.831 42.193 0.638 17892 918 1 3 . 1 1 61 61 PHE H H 61 8.463 8.463 8.742 -0.279 17892 919 1 3 . 1 1 62 62 GLN N N 62 117.212 117.212 119.616 -2.404 17892 920 1 3 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.783 0.218 17892 921 1 3 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.950 0.629 17892 922 1 3 . 1 1 62 62 GLN CB C 62 32.378 32.378 32.272 0.106 17892 923 1 3 . 1 1 62 62 GLN H H 62 8.572 8.572 8.868 -0.296 17892 924 1 3 . 1 1 63 63 TRP N N 63 125.622 125.622 128.030 -2.408 17892 925 1 3 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.775 0.401 17892 926 1 3 . 1 1 63 63 TRP CA C 63 57.152 57.152 58.282 -1.130 17892 927 1 3 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.591 1.663 17892 928 1 3 . 1 1 63 63 TRP H H 63 9.278 9.278 8.848 0.430 17892 929 1 3 . 1 1 64 64 GLN N N 64 126.649 126.649 128.400 -1.751 17892 930 1 3 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.321 -0.115 17892 931 1 3 . 1 1 64 64 GLN CA C 64 51.887 51.887 53.309 -1.422 17892 932 1 3 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.660 1.504 17892 933 1 3 . 1 1 64 64 GLN H H 64 7.841 7.841 8.315 -0.474 17892 934 1 3 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.774 0.832 17892 935 1 3 . 1 1 65 65 PRO CA C 65 62.102 62.102 63.864 -1.762 17892 936 1 3 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.153 -0.103 17892 937 1 4 . 1 1 2 2 ILE N N 2 123.730 123.730 121.175 2.555 17892 938 1 4 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.840 0.147 17892 939 1 4 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.568 -0.238 17892 940 1 4 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.064 0.513 17892 941 1 4 . 1 1 2 2 ILE H H 2 8.813 8.813 8.377 0.436 17892 942 1 4 . 1 1 3 3 ILE N N 3 129.451 129.451 128.186 1.265 17892 943 1 4 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.267 0.047 17892 944 1 4 . 1 1 3 3 ILE CA C 3 60.712 60.712 58.878 1.834 17892 945 1 4 . 1 1 3 3 ILE CB C 3 38.857 38.857 37.725 1.132 17892 946 1 4 . 1 1 3 3 ILE H H 3 9.355 9.355 9.184 0.171 17892 947 1 4 . 1 1 4 4 ASN N N 4 124.242 124.242 126.249 -2.007 17892 948 1 4 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.983 0.467 17892 949 1 4 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.054 -0.314 17892 950 1 4 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.569 1.988 17892 951 1 4 . 1 1 4 4 ASN H H 4 8.823 8.823 8.831 -0.008 17892 952 1 4 . 1 1 5 5 ASN N N 5 121.916 121.916 123.819 -1.903 17892 953 1 4 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.843 0.537 17892 954 1 4 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.331 -0.310 17892 955 1 4 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.021 1.116 17892 956 1 4 . 1 1 5 5 ASN H H 5 9.356 9.356 9.029 0.327 17892 957 1 4 . 1 1 6 6 LEU N N 6 120.873 120.873 122.993 -2.120 17892 958 1 4 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.803 -0.061 17892 959 1 4 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.322 0.783 17892 960 1 4 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.618 -0.263 17892 961 1 4 . 1 1 6 6 LEU H H 6 8.419 8.419 9.160 -0.741 17892 962 1 4 . 1 1 7 7 LYS N N 7 118.232 118.232 118.239 -0.007 17892 963 1 4 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.925 -0.040 17892 964 1 4 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.499 1.358 17892 965 1 4 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.386 1.467 17892 966 1 4 . 1 1 7 7 LYS H H 7 8.820 8.820 8.403 0.417 17892 967 1 4 . 1 1 8 8 LEU N N 8 116.679 116.679 120.698 -4.019 17892 968 1 4 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.048 0.066 17892 969 1 4 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.275 0.943 17892 970 1 4 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.888 0.690 17892 971 1 4 . 1 1 8 8 LEU H H 8 7.443 7.443 7.615 -0.172 17892 972 1 4 . 1 1 9 9 ILE N N 9 119.043 119.043 119.298 -0.255 17892 973 1 4 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.527 0.252 17892 974 1 4 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.836 -2.430 17892 975 1 4 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.702 -0.777 17892 976 1 4 . 1 1 9 9 ILE H H 9 8.133 8.133 8.805 -0.672 17892 977 1 4 . 1 1 10 10 ARG N N 10 120.200 120.200 120.751 -0.551 17892 978 1 4 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.827 0.015 17892 979 1 4 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.192 1.085 17892 980 1 4 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.075 -1.041 17892 981 1 4 . 1 1 10 10 ARG H H 10 9.128 9.128 8.931 0.197 17892 982 1 4 . 1 1 11 11 GLU N N 11 116.457 116.457 118.466 -2.009 17892 983 1 4 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.027 0.087 17892 984 1 4 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.192 0.744 17892 985 1 4 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.951 0.513 17892 986 1 4 . 1 1 11 11 GLU H H 11 8.555 8.555 8.166 0.389 17892 987 1 4 . 1 1 12 12 LYS N N 12 122.500 122.500 120.704 1.796 17892 988 1 4 . 1 1 12 12 LYS HA H 12 4.163 4.163 3.998 0.165 17892 989 1 4 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.436 0.530 17892 990 1 4 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.425 0.123 17892 991 1 4 . 1 1 12 12 LYS H H 12 8.169 8.169 7.904 0.265 17892 992 1 4 . 1 1 13 13 LYS N N 13 116.690 116.690 118.113 -1.423 17892 993 1 4 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.198 0.067 17892 994 1 4 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.904 -1.284 17892 995 1 4 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.634 -0.535 17892 996 1 4 . 1 1 13 13 LYS H H 13 7.748 7.748 8.300 -0.552 17892 997 1 4 . 1 1 14 14 LYS N N 14 115.251 115.251 113.768 1.483 17892 998 1 4 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.873 0.040 17892 999 1 4 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.244 0.223 17892 1000 1 4 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.562 -1.647 17892 1001 1 4 . 1 1 14 14 LYS H H 14 7.978 7.978 8.455 -0.477 17892 1002 1 4 . 1 1 15 15 ILE N N 15 118.640 118.640 120.412 -1.772 17892 1003 1 4 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.409 0.158 17892 1004 1 4 . 1 1 15 15 ILE CA C 15 59.621 59.621 58.814 0.807 17892 1005 1 4 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.886 0.287 17892 1006 1 4 . 1 1 15 15 ILE H H 15 7.508 7.508 7.662 -0.154 17892 1007 1 4 . 1 1 16 16 SER N N 16 124.827 124.827 123.437 1.390 17892 1008 1 4 . 1 1 16 16 SER HA H 16 4.559 4.559 4.651 -0.092 17892 1009 1 4 . 1 1 16 16 SER CA C 16 57.422 57.422 58.005 -0.583 17892 1010 1 4 . 1 1 16 16 SER CB C 16 65.249 65.249 64.724 0.525 17892 1011 1 4 . 1 1 16 16 SER H H 16 9.220 9.220 9.867 -0.647 17892 1012 1 4 . 1 1 17 17 GLN N N 17 120.457 120.457 123.356 -2.899 17892 1013 1 4 . 1 1 17 17 GLN HA H 17 3.751 3.751 4.002 -0.251 17892 1014 1 4 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.405 1.872 17892 1015 1 4 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.027 1.574 17892 1016 1 4 . 1 1 17 17 GLN H H 17 9.364 9.364 8.910 0.454 17892 1017 1 4 . 1 1 18 18 SER N N 18 112.796 112.796 116.314 -3.518 17892 1018 1 4 . 1 1 18 18 SER HA H 18 4.739 4.739 4.068 0.671 17892 1019 1 4 . 1 1 18 18 SER CA C 18 63.145 63.145 61.438 1.707 17892 1020 1 4 . 1 1 18 18 SER CB C 18 65.724 65.724 62.560 3.164 17892 1021 1 4 . 1 1 18 18 SER H H 18 8.680 8.680 8.625 0.055 17892 1022 1 4 . 1 1 19 19 GLU N N 19 124.363 124.363 121.828 2.535 17892 1023 1 4 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.090 -0.020 17892 1024 1 4 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.535 0.775 17892 1025 1 4 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.390 0.801 17892 1026 1 4 . 1 1 19 19 GLU H H 19 8.145 8.145 7.663 0.482 17892 1027 1 4 . 1 1 20 20 LEU N N 20 119.741 119.741 121.982 -2.241 17892 1028 1 4 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.928 0.172 17892 1029 1 4 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.717 0.390 17892 1030 1 4 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.547 0.008 17892 1031 1 4 . 1 1 20 20 LEU H H 20 8.161 8.161 8.153 0.008 17892 1032 1 4 . 1 1 21 21 ALA N N 21 119.970 119.970 121.569 -1.599 17892 1033 1 4 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.876 -0.187 17892 1034 1 4 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.259 0.561 17892 1035 1 4 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.921 -0.523 17892 1036 1 4 . 1 1 21 21 ALA H H 21 8.436 8.436 8.812 -0.376 17892 1037 1 4 . 1 1 22 22 ALA N N 22 117.873 117.873 120.707 -2.834 17892 1038 1 4 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.982 0.222 17892 1039 1 4 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.674 0.387 17892 1040 1 4 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.463 -0.228 17892 1041 1 4 . 1 1 22 22 ALA H H 22 7.709 7.709 7.514 0.195 17892 1042 1 4 . 1 1 23 23 LEU N N 23 118.771 118.771 118.749 0.022 17892 1043 1 4 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.409 0.506 17892 1044 1 4 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.989 0.661 17892 1045 1 4 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.056 0.878 17892 1046 1 4 . 1 1 23 23 LEU H H 23 7.543 7.543 7.352 0.191 17892 1047 1 4 . 1 1 24 24 LEU N N 24 114.703 114.703 116.943 -2.240 17892 1048 1 4 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.182 0.080 17892 1049 1 4 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.699 -0.848 17892 1050 1 4 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.971 2.012 17892 1051 1 4 . 1 1 24 24 LEU H H 24 7.430 7.430 8.421 -0.991 17892 1052 1 4 . 1 1 25 25 GLU N N 25 115.450 115.450 114.201 1.249 17892 1053 1 4 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.028 -0.122 17892 1054 1 4 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.215 0.571 17892 1055 1 4 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.680 -0.137 17892 1056 1 4 . 1 1 25 25 GLU H H 25 7.987 7.987 8.135 -0.148 17892 1057 1 4 . 1 1 26 26 VAL N N 26 110.029 110.029 112.656 -2.627 17892 1058 1 4 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.642 0.198 17892 1059 1 4 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.163 -0.332 17892 1060 1 4 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.238 0.351 17892 1061 1 4 . 1 1 26 26 VAL H H 26 7.908 7.908 8.004 -0.096 17892 1062 1 4 . 1 1 27 27 SER N N 27 114.372 114.372 116.240 -1.868 17892 1063 1 4 . 1 1 27 27 SER HA H 27 4.761 4.761 4.581 0.180 17892 1064 1 4 . 1 1 27 27 SER CA C 27 56.661 56.661 57.908 -1.247 17892 1065 1 4 . 1 1 27 27 SER CB C 27 62.712 62.712 64.894 -2.182 17892 1066 1 4 . 1 1 27 27 SER H H 27 8.401 8.401 8.099 0.302 17892 1067 1 4 . 1 1 28 28 ARG N N 28 115.199 115.199 122.066 -6.867 17892 1068 1 4 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.025 -0.295 17892 1069 1 4 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.582 -0.204 17892 1070 1 4 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.912 -0.312 17892 1071 1 4 . 1 1 28 28 ARG H H 28 8.150 8.150 9.047 -0.897 17892 1072 1 4 . 1 1 29 29 GLN N N 29 117.559 117.559 118.097 -0.538 17892 1073 1 4 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.111 0.001 17892 1074 1 4 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.529 0.106 17892 1075 1 4 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.280 -0.162 17892 1076 1 4 . 1 1 29 29 GLN H H 29 8.674 8.674 8.814 -0.140 17892 1077 1 4 . 1 1 30 30 THR N N 30 119.900 119.900 117.919 1.981 17892 1078 1 4 . 1 1 30 30 THR HA H 30 4.373 4.373 4.279 0.094 17892 1079 1 4 . 1 1 30 30 THR CA C 30 68.235 68.235 66.562 1.673 17892 1080 1 4 . 1 1 30 30 THR CB C 30 66.938 66.938 68.883 -1.945 17892 1081 1 4 . 1 1 30 30 THR H H 30 7.995 7.995 8.104 -0.109 17892 1082 1 4 . 1 1 31 31 ILE N N 31 119.083 119.083 122.991 -3.908 17892 1083 1 4 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.726 0.018 17892 1084 1 4 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.850 -1.534 17892 1085 1 4 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.513 -0.886 17892 1086 1 4 . 1 1 31 31 ILE H H 31 7.118 7.118 8.476 -1.358 17892 1087 1 4 . 1 1 32 32 ASN N N 32 118.406 118.406 119.200 -0.794 17892 1088 1 4 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.428 -0.102 17892 1089 1 4 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.220 0.397 17892 1090 1 4 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.351 1.145 17892 1091 1 4 . 1 1 32 32 ASN H H 32 8.533 8.533 9.236 -0.703 17892 1092 1 4 . 1 1 33 33 GLY N N 33 125.014 125.014 109.257 15.757 17892 1093 1 4 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.202 0.488 17892 1094 1 4 . 1 1 33 33 GLY H H 33 8.477 8.477 8.741 -0.264 17892 1095 1 4 . 1 1 34 34 ILE N N 34 122.677 122.677 123.087 -0.410 17892 1096 1 4 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.732 0.525 17892 1097 1 4 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.448 0.804 17892 1098 1 4 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.017 0.819 17892 1099 1 4 . 1 1 34 34 ILE H H 34 8.178 8.178 7.638 0.540 17892 1100 1 4 . 1 1 35 35 GLU N N 35 120.928 120.928 119.830 1.098 17892 1101 1 4 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.050 0.113 17892 1102 1 4 . 1 1 35 35 GLU CA C 35 60.330 60.330 58.850 1.480 17892 1103 1 4 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.639 -0.237 17892 1104 1 4 . 1 1 35 35 GLU H H 35 8.537 8.537 8.637 -0.100 17892 1105 1 4 . 1 1 36 36 LYS N N 36 116.174 116.174 115.703 0.471 17892 1106 1 4 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.325 0.145 17892 1107 1 4 . 1 1 36 36 LYS CA C 36 56.029 56.029 54.738 1.291 17892 1108 1 4 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.826 0.663 17892 1109 1 4 . 1 1 36 36 LYS H H 36 7.978 7.978 8.389 -0.411 17892 1110 1 4 . 1 1 37 37 ASN N N 37 114.939 114.939 114.860 0.079 17892 1111 1 4 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.370 0.298 17892 1112 1 4 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.220 0.832 17892 1113 1 4 . 1 1 37 37 ASN CB C 37 37.529 37.529 37.029 0.500 17892 1114 1 4 . 1 1 37 37 ASN H H 37 8.150 8.150 8.051 0.099 17892 1115 1 4 . 1 1 38 38 LYS N N 38 115.469 115.469 117.156 -1.687 17892 1116 1 4 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.088 0.297 17892 1117 1 4 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.683 -1.923 17892 1118 1 4 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.156 0.437 17892 1119 1 4 . 1 1 38 38 LYS H H 38 8.586 8.586 8.238 0.348 17892 1120 1 4 . 1 1 39 39 TYR N N 39 117.011 117.011 112.969 4.042 17892 1121 1 4 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.737 -0.118 17892 1122 1 4 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.507 0.493 17892 1123 1 4 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.106 1.347 17892 1124 1 4 . 1 1 39 39 TYR H H 39 7.028 7.028 7.065 -0.037 17892 1125 1 4 . 1 1 40 40 ASN N N 40 123.592 123.592 119.382 4.210 17892 1126 1 4 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.978 0.203 17892 1127 1 4 . 1 1 40 40 ASN CA C 40 50.235 50.235 49.899 0.336 17892 1128 1 4 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.490 -0.464 17892 1129 1 4 . 1 1 40 40 ASN H H 40 8.618 8.618 8.577 0.041 17892 1130 1 4 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.568 -0.804 17892 1131 1 4 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.586 0.462 17892 1132 1 4 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.337 -0.204 17892 1133 1 4 . 1 1 42 42 SER N N 42 125.240 125.240 115.085 10.155 17892 1134 1 4 . 1 1 42 42 SER HA H 42 4.530 4.530 4.245 0.285 17892 1135 1 4 . 1 1 42 42 SER CA C 42 58.052 58.052 57.976 0.076 17892 1136 1 4 . 1 1 42 42 SER CB C 42 64.643 64.643 63.780 0.863 17892 1137 1 4 . 1 1 42 42 SER H H 42 7.798 7.798 8.128 -0.330 17892 1138 1 4 . 1 1 43 43 LEU N N 43 121.149 121.149 123.669 -2.520 17892 1139 1 4 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.017 -0.152 17892 1140 1 4 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.425 0.426 17892 1141 1 4 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.601 -0.195 17892 1142 1 4 . 1 1 43 43 LEU H H 43 9.134 9.134 8.640 0.494 17892 1143 1 4 . 1 1 44 44 GLN N N 44 115.817 115.817 118.960 -3.143 17892 1144 1 4 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.112 -0.420 17892 1145 1 4 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.269 1.376 17892 1146 1 4 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.365 0.435 17892 1147 1 4 . 1 1 44 44 GLN H H 44 8.743 8.743 8.609 0.134 17892 1148 1 4 . 1 1 45 45 LEU N N 45 119.397 119.397 118.946 0.451 17892 1149 1 4 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.080 -0.192 17892 1150 1 4 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.832 -2.776 17892 1151 1 4 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.611 0.566 17892 1152 1 4 . 1 1 45 45 LEU H H 45 7.895 7.895 8.122 -0.227 17892 1153 1 4 . 1 1 46 46 ALA N N 46 120.694 120.694 122.515 -1.821 17892 1154 1 4 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.942 0.050 17892 1155 1 4 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.234 0.844 17892 1156 1 4 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.201 1.752 17892 1157 1 4 . 1 1 46 46 ALA H H 46 8.437 8.437 8.246 0.191 17892 1158 1 4 . 1 1 47 47 LEU N N 47 116.298 116.298 118.924 -2.626 17892 1159 1 4 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.897 0.258 17892 1160 1 4 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.074 -0.023 17892 1161 1 4 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.639 0.944 17892 1162 1 4 . 1 1 47 47 LEU H H 47 8.552 8.552 8.444 0.108 17892 1163 1 4 . 1 1 48 48 LYS N N 48 120.836 120.836 119.800 1.036 17892 1164 1 4 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.045 -0.522 17892 1165 1 4 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.239 0.224 17892 1166 1 4 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.546 0.589 17892 1167 1 4 . 1 1 48 48 LYS H H 48 7.863 7.863 8.755 -0.892 17892 1168 1 4 . 1 1 49 49 ILE N N 49 120.259 120.259 120.136 0.123 17892 1169 1 4 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.820 -0.256 17892 1170 1 4 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.719 1.815 17892 1171 1 4 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.905 0.298 17892 1172 1 4 . 1 1 49 49 ILE H H 49 8.621 8.621 8.253 0.368 17892 1173 1 4 . 1 1 50 50 ALA N N 50 120.672 120.672 123.788 -3.116 17892 1174 1 4 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.221 -0.202 17892 1175 1 4 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.131 0.876 17892 1176 1 4 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.389 0.166 17892 1177 1 4 . 1 1 50 50 ALA H H 50 8.033 8.033 8.279 -0.246 17892 1178 1 4 . 1 1 51 51 TYR N N 51 117.393 117.393 120.222 -2.829 17892 1179 1 4 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.052 0.254 17892 1180 1 4 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.239 -0.312 17892 1181 1 4 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.547 0.226 17892 1182 1 4 . 1 1 51 51 TYR H H 51 8.108 8.108 8.613 -0.505 17892 1183 1 4 . 1 1 52 52 TYR N N 52 118.419 118.419 118.783 -0.364 17892 1184 1 4 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.313 -0.023 17892 1185 1 4 . 1 1 52 52 TYR CA C 52 63.165 63.165 62.018 1.147 17892 1186 1 4 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.901 -0.873 17892 1187 1 4 . 1 1 52 52 TYR H H 52 8.891 8.891 8.785 0.106 17892 1188 1 4 . 1 1 53 53 LEU N N 53 115.657 115.657 117.124 -1.467 17892 1189 1 4 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.554 -0.084 17892 1190 1 4 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.517 0.103 17892 1191 1 4 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.691 -1.045 17892 1192 1 4 . 1 1 53 53 LEU H H 53 8.182 8.182 8.752 -0.570 17892 1193 1 4 . 1 1 54 54 ASN N N 54 122.127 122.127 115.960 6.167 17892 1194 1 4 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.267 0.141 17892 1195 1 4 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.364 -0.196 17892 1196 1 4 . 1 1 54 54 ASN CB C 54 38.167 38.167 36.336 1.831 17892 1197 1 4 . 1 1 54 54 ASN H H 54 8.048 8.048 7.838 0.210 17892 1198 1 4 . 1 1 55 55 THR N N 55 115.087 115.087 114.734 0.353 17892 1199 1 4 . 1 1 55 55 THR HA H 55 4.902 4.902 4.799 0.103 17892 1200 1 4 . 1 1 55 55 THR CA C 55 60.449 60.449 60.064 0.385 17892 1201 1 4 . 1 1 55 55 THR CB C 55 75.269 75.269 70.209 5.060 17892 1202 1 4 . 1 1 55 55 THR H H 55 8.134 8.134 8.023 0.111 17892 1203 1 4 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.487 0.102 17892 1204 1 4 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.819 0.326 17892 1205 1 4 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.371 0.110 17892 1206 1 4 . 1 1 57 57 LEU N N 57 127.729 127.729 126.408 1.321 17892 1207 1 4 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.157 -0.167 17892 1208 1 4 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.650 1.848 17892 1209 1 4 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.277 -0.234 17892 1210 1 4 . 1 1 57 57 LEU H H 57 9.788 9.788 8.582 1.206 17892 1211 1 4 . 1 1 58 58 GLU N N 58 123.764 123.764 119.317 4.447 17892 1212 1 4 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.403 0.431 17892 1213 1 4 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.769 0.269 17892 1214 1 4 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.912 0.696 17892 1215 1 4 . 1 1 58 58 GLU H H 58 9.188 9.188 8.661 0.527 17892 1216 1 4 . 1 1 59 59 ASP N N 59 117.867 117.867 116.671 1.196 17892 1217 1 4 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.388 0.213 17892 1218 1 4 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.376 -0.203 17892 1219 1 4 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.657 -0.116 17892 1220 1 4 . 1 1 59 59 ASP H H 59 7.910 7.910 8.264 -0.354 17892 1221 1 4 . 1 1 60 60 ILE N N 60 119.503 119.503 116.927 2.576 17892 1222 1 4 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.702 -0.191 17892 1223 1 4 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.538 0.809 17892 1224 1 4 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.631 1.335 17892 1225 1 4 . 1 1 60 60 ILE H H 60 8.104 8.104 7.127 0.977 17892 1226 1 4 . 1 1 61 61 PHE N N 61 116.398 116.398 117.785 -1.387 17892 1227 1 4 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.488 -0.028 17892 1228 1 4 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.819 0.189 17892 1229 1 4 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.329 2.502 17892 1230 1 4 . 1 1 61 61 PHE H H 61 8.463 8.463 8.863 -0.400 17892 1231 1 4 . 1 1 62 62 GLN N N 62 117.212 117.212 121.539 -4.327 17892 1232 1 4 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.833 0.168 17892 1233 1 4 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.752 0.827 17892 1234 1 4 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.504 0.874 17892 1235 1 4 . 1 1 62 62 GLN H H 62 8.572 8.572 9.092 -0.520 17892 1236 1 4 . 1 1 63 63 TRP N N 63 125.622 125.622 129.509 -3.887 17892 1237 1 4 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.888 0.288 17892 1238 1 4 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.720 -0.568 17892 1239 1 4 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.848 1.406 17892 1240 1 4 . 1 1 63 63 TRP H H 63 9.278 9.278 8.960 0.318 17892 1241 1 4 . 1 1 64 64 GLN N N 64 126.649 126.649 128.083 -1.434 17892 1242 1 4 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.552 -0.346 17892 1243 1 4 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.904 -1.017 17892 1244 1 4 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.700 1.464 17892 1245 1 4 . 1 1 64 64 GLN H H 64 7.841 7.841 8.714 -0.873 17892 1246 1 4 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.934 0.672 17892 1247 1 4 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.458 -0.356 17892 1248 1 4 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.194 -0.144 17892 1249 1 5 . 1 1 2 2 ILE N N 2 123.730 123.730 120.632 3.098 17892 1250 1 5 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.926 0.061 17892 1251 1 5 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.105 0.225 17892 1252 1 5 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.438 0.139 17892 1253 1 5 . 1 1 2 2 ILE H H 2 8.813 8.813 7.867 0.946 17892 1254 1 5 . 1 1 3 3 ILE N N 3 129.451 129.451 128.690 0.761 17892 1255 1 5 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.246 0.068 17892 1256 1 5 . 1 1 3 3 ILE CA C 3 60.712 60.712 59.027 1.685 17892 1257 1 5 . 1 1 3 3 ILE CB C 3 38.857 38.857 37.423 1.434 17892 1258 1 5 . 1 1 3 3 ILE H H 3 9.355 9.355 9.224 0.131 17892 1259 1 5 . 1 1 4 4 ASN N N 4 124.242 124.242 126.099 -1.857 17892 1260 1 5 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.186 0.264 17892 1261 1 5 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.164 -0.424 17892 1262 1 5 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.927 1.631 17892 1263 1 5 . 1 1 4 4 ASN H H 4 8.823 8.823 8.845 -0.022 17892 1264 1 5 . 1 1 5 5 ASN N N 5 121.916 121.916 123.338 -1.422 17892 1265 1 5 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.845 0.535 17892 1266 1 5 . 1 1 5 5 ASN CA C 5 52.021 52.021 53.525 -1.504 17892 1267 1 5 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.520 0.617 17892 1268 1 5 . 1 1 5 5 ASN H H 5 9.356 9.356 9.064 0.292 17892 1269 1 5 . 1 1 6 6 LEU N N 6 120.873 120.873 123.036 -2.163 17892 1270 1 5 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.844 -0.102 17892 1271 1 5 . 1 1 6 6 LEU CA C 6 60.105 60.105 58.908 1.197 17892 1272 1 5 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.536 -0.181 17892 1273 1 5 . 1 1 6 6 LEU H H 6 8.419 8.419 9.268 -0.849 17892 1274 1 5 . 1 1 7 7 LYS N N 7 118.232 118.232 117.791 0.441 17892 1275 1 5 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.994 -0.109 17892 1276 1 5 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.304 1.553 17892 1277 1 5 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.264 1.589 17892 1278 1 5 . 1 1 7 7 LYS H H 7 8.820 8.820 8.288 0.532 17892 1279 1 5 . 1 1 8 8 LEU N N 8 116.679 116.679 120.543 -3.864 17892 1280 1 5 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.056 0.058 17892 1281 1 5 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.255 0.963 17892 1282 1 5 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.908 0.670 17892 1283 1 5 . 1 1 8 8 LEU H H 8 7.443 7.443 7.624 -0.181 17892 1284 1 5 . 1 1 9 9 ILE N N 9 119.043 119.043 119.186 -0.143 17892 1285 1 5 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.542 0.237 17892 1286 1 5 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.462 -2.056 17892 1287 1 5 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.576 -0.651 17892 1288 1 5 . 1 1 9 9 ILE H H 9 8.133 8.133 8.717 -0.584 17892 1289 1 5 . 1 1 10 10 ARG N N 10 120.200 120.200 120.573 -0.373 17892 1290 1 5 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.894 -0.052 17892 1291 1 5 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.201 1.076 17892 1292 1 5 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.090 -1.056 17892 1293 1 5 . 1 1 10 10 ARG H H 10 9.128 9.128 8.946 0.182 17892 1294 1 5 . 1 1 11 11 GLU N N 11 116.457 116.457 117.974 -1.517 17892 1295 1 5 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.096 0.018 17892 1296 1 5 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.657 1.280 17892 1297 1 5 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.093 0.371 17892 1298 1 5 . 1 1 11 11 GLU H H 11 8.555 8.555 7.895 0.660 17892 1299 1 5 . 1 1 12 12 LYS N N 12 122.500 122.500 120.596 1.904 17892 1300 1 5 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.006 0.157 17892 1301 1 5 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.401 0.565 17892 1302 1 5 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.445 0.103 17892 1303 1 5 . 1 1 12 12 LYS H H 12 8.169 8.169 7.916 0.253 17892 1304 1 5 . 1 1 13 13 LYS N N 13 116.690 116.690 118.092 -1.402 17892 1305 1 5 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.156 0.109 17892 1306 1 5 . 1 1 13 13 LYS CA C 13 55.620 55.620 57.331 -1.711 17892 1307 1 5 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.483 -0.383 17892 1308 1 5 . 1 1 13 13 LYS H H 13 7.748 7.748 8.430 -0.682 17892 1309 1 5 . 1 1 14 14 LYS N N 14 115.251 115.251 112.166 3.085 17892 1310 1 5 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.944 -0.030 17892 1311 1 5 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.047 0.420 17892 1312 1 5 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.051 -1.136 17892 1313 1 5 . 1 1 14 14 LYS H H 14 7.978 7.978 8.336 -0.358 17892 1314 1 5 . 1 1 15 15 ILE N N 15 118.640 118.640 120.682 -2.042 17892 1315 1 5 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.354 0.213 17892 1316 1 5 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.107 0.514 17892 1317 1 5 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.137 1.036 17892 1318 1 5 . 1 1 15 15 ILE H H 15 7.508 7.508 7.799 -0.291 17892 1319 1 5 . 1 1 16 16 SER N N 16 124.827 124.827 122.611 2.216 17892 1320 1 5 . 1 1 16 16 SER HA H 16 4.559 4.559 4.709 -0.150 17892 1321 1 5 . 1 1 16 16 SER CA C 16 57.422 57.422 58.640 -1.218 17892 1322 1 5 . 1 1 16 16 SER CB C 16 65.249 65.249 63.880 1.369 17892 1323 1 5 . 1 1 16 16 SER H H 16 9.220 9.220 9.877 -0.657 17892 1324 1 5 . 1 1 17 17 GLN N N 17 120.457 120.457 124.865 -4.408 17892 1325 1 5 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.909 -0.158 17892 1326 1 5 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.478 1.799 17892 1327 1 5 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.043 1.558 17892 1328 1 5 . 1 1 17 17 GLN H H 17 9.364 9.364 9.013 0.351 17892 1329 1 5 . 1 1 18 18 SER N N 18 112.796 112.796 115.963 -3.167 17892 1330 1 5 . 1 1 18 18 SER HA H 18 4.739 4.739 4.078 0.661 17892 1331 1 5 . 1 1 18 18 SER CA C 18 63.145 63.145 61.446 1.699 17892 1332 1 5 . 1 1 18 18 SER CB C 18 65.724 65.724 62.523 3.201 17892 1333 1 5 . 1 1 18 18 SER H H 18 8.680 8.680 8.713 -0.033 17892 1334 1 5 . 1 1 19 19 GLU N N 19 124.363 124.363 121.394 2.969 17892 1335 1 5 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.160 -0.090 17892 1336 1 5 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.296 1.014 17892 1337 1 5 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.345 0.846 17892 1338 1 5 . 1 1 19 19 GLU H H 19 8.145 8.145 7.624 0.521 17892 1339 1 5 . 1 1 20 20 LEU N N 20 119.741 119.741 122.465 -2.724 17892 1340 1 5 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.944 0.156 17892 1341 1 5 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.831 0.276 17892 1342 1 5 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.481 0.074 17892 1343 1 5 . 1 1 20 20 LEU H H 20 8.161 8.161 8.439 -0.278 17892 1344 1 5 . 1 1 21 21 ALA N N 21 119.970 119.970 121.099 -1.129 17892 1345 1 5 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.932 -0.243 17892 1346 1 5 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.177 0.643 17892 1347 1 5 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.930 -0.532 17892 1348 1 5 . 1 1 21 21 ALA H H 21 8.436 8.436 8.832 -0.396 17892 1349 1 5 . 1 1 22 22 ALA N N 22 117.873 117.873 121.460 -3.587 17892 1350 1 5 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.985 0.219 17892 1351 1 5 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.690 0.372 17892 1352 1 5 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.409 -0.174 17892 1353 1 5 . 1 1 22 22 ALA H H 22 7.709 7.709 7.431 0.278 17892 1354 1 5 . 1 1 23 23 LEU N N 23 118.771 118.771 118.373 0.398 17892 1355 1 5 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.514 0.401 17892 1356 1 5 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.886 0.764 17892 1357 1 5 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.346 0.588 17892 1358 1 5 . 1 1 23 23 LEU H H 23 7.543 7.543 7.730 -0.187 17892 1359 1 5 . 1 1 24 24 LEU N N 24 114.703 114.703 115.449 -0.746 17892 1360 1 5 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.176 0.086 17892 1361 1 5 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.715 -0.864 17892 1362 1 5 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.385 1.598 17892 1363 1 5 . 1 1 24 24 LEU H H 24 7.430 7.430 8.169 -0.739 17892 1364 1 5 . 1 1 25 25 GLU N N 25 115.450 115.450 113.761 1.689 17892 1365 1 5 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.032 -0.126 17892 1366 1 5 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.056 0.730 17892 1367 1 5 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.593 -0.050 17892 1368 1 5 . 1 1 25 25 GLU H H 25 7.987 7.987 8.168 -0.181 17892 1369 1 5 . 1 1 26 26 VAL N N 26 110.029 110.029 113.389 -3.360 17892 1370 1 5 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.814 0.026 17892 1371 1 5 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.163 -0.333 17892 1372 1 5 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.015 0.574 17892 1373 1 5 . 1 1 26 26 VAL H H 26 7.908 7.908 8.027 -0.119 17892 1374 1 5 . 1 1 27 27 SER N N 27 114.372 114.372 114.919 -0.547 17892 1375 1 5 . 1 1 27 27 SER HA H 27 4.761 4.761 4.595 0.166 17892 1376 1 5 . 1 1 27 27 SER CA C 27 56.661 56.661 56.617 0.044 17892 1377 1 5 . 1 1 27 27 SER CB C 27 62.712 62.712 64.267 -1.555 17892 1378 1 5 . 1 1 27 27 SER H H 27 8.401 8.401 8.341 0.060 17892 1379 1 5 . 1 1 28 28 ARG N N 28 115.199 115.199 123.267 -8.068 17892 1380 1 5 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.031 -0.301 17892 1381 1 5 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.332 0.046 17892 1382 1 5 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.259 -0.658 17892 1383 1 5 . 1 1 28 28 ARG H H 28 8.150 8.150 8.930 -0.780 17892 1384 1 5 . 1 1 29 29 GLN N N 29 117.559 117.559 118.287 -0.728 17892 1385 1 5 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.077 0.035 17892 1386 1 5 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.038 0.597 17892 1387 1 5 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.403 -0.285 17892 1388 1 5 . 1 1 29 29 GLN H H 29 8.674 8.674 8.005 0.669 17892 1389 1 5 . 1 1 30 30 THR N N 30 119.900 119.900 116.962 2.938 17892 1390 1 5 . 1 1 30 30 THR HA H 30 4.373 4.373 4.316 0.057 17892 1391 1 5 . 1 1 30 30 THR CA C 30 68.235 68.235 65.840 2.395 17892 1392 1 5 . 1 1 30 30 THR CB C 30 66.938 66.938 68.760 -1.822 17892 1393 1 5 . 1 1 30 30 THR H H 30 7.995 7.995 7.748 0.247 17892 1394 1 5 . 1 1 31 31 ILE N N 31 119.083 119.083 122.225 -3.142 17892 1395 1 5 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.718 0.026 17892 1396 1 5 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.687 -1.371 17892 1397 1 5 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.491 -0.864 17892 1398 1 5 . 1 1 31 31 ILE H H 31 7.118 7.118 7.454 -0.336 17892 1399 1 5 . 1 1 32 32 ASN N N 32 118.406 118.406 119.171 -0.765 17892 1400 1 5 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.452 -0.126 17892 1401 1 5 . 1 1 32 32 ASN CA C 32 57.617 57.617 56.894 0.723 17892 1402 1 5 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.308 1.188 17892 1403 1 5 . 1 1 32 32 ASN H H 32 8.533 8.533 9.179 -0.646 17892 1404 1 5 . 1 1 33 33 GLY N N 33 125.014 125.014 109.272 15.742 17892 1405 1 5 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.809 0.881 17892 1406 1 5 . 1 1 33 33 GLY H H 33 8.477 8.477 8.663 -0.186 17892 1407 1 5 . 1 1 34 34 ILE N N 34 122.677 122.677 123.170 -0.493 17892 1408 1 5 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.848 0.409 17892 1409 1 5 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.739 0.513 17892 1410 1 5 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.147 0.689 17892 1411 1 5 . 1 1 34 34 ILE H H 34 8.178 8.178 8.150 0.028 17892 1412 1 5 . 1 1 35 35 GLU N N 35 120.928 120.928 119.649 1.279 17892 1413 1 5 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.067 0.096 17892 1414 1 5 . 1 1 35 35 GLU CA C 35 60.330 60.330 58.928 1.402 17892 1415 1 5 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.719 -0.317 17892 1416 1 5 . 1 1 35 35 GLU H H 35 8.537 8.537 8.673 -0.136 17892 1417 1 5 . 1 1 36 36 LYS N N 36 116.174 116.174 115.484 0.690 17892 1418 1 5 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.337 0.133 17892 1419 1 5 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.526 0.503 17892 1420 1 5 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.343 0.146 17892 1421 1 5 . 1 1 36 36 LYS H H 36 7.978 7.978 8.309 -0.331 17892 1422 1 5 . 1 1 37 37 ASN N N 37 114.939 114.939 114.046 0.893 17892 1423 1 5 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.395 0.273 17892 1424 1 5 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.624 0.427 17892 1425 1 5 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.729 0.800 17892 1426 1 5 . 1 1 37 37 ASN H H 37 8.150 8.150 7.626 0.524 17892 1427 1 5 . 1 1 38 38 LYS N N 38 115.469 115.469 117.273 -1.804 17892 1428 1 5 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.042 0.343 17892 1429 1 5 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.484 -1.724 17892 1430 1 5 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.037 0.556 17892 1431 1 5 . 1 1 38 38 LYS H H 38 8.586 8.586 8.217 0.369 17892 1432 1 5 . 1 1 39 39 TYR N N 39 117.011 117.011 113.825 3.186 17892 1433 1 5 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.763 -0.144 17892 1434 1 5 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.491 0.509 17892 1435 1 5 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.290 1.163 17892 1436 1 5 . 1 1 39 39 TYR H H 39 7.028 7.028 7.014 0.014 17892 1437 1 5 . 1 1 40 40 ASN N N 40 123.592 123.592 120.476 3.116 17892 1438 1 5 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.914 0.267 17892 1439 1 5 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.022 -0.787 17892 1440 1 5 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.235 -0.209 17892 1441 1 5 . 1 1 40 40 ASN H H 40 8.618 8.618 8.477 0.141 17892 1442 1 5 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.485 -0.721 17892 1443 1 5 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.548 0.500 17892 1444 1 5 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.300 -0.168 17892 1445 1 5 . 1 1 42 42 SER N N 42 125.240 125.240 115.372 9.868 17892 1446 1 5 . 1 1 42 42 SER HA H 42 4.530 4.530 4.254 0.276 17892 1447 1 5 . 1 1 42 42 SER CA C 42 58.052 58.052 57.889 0.162 17892 1448 1 5 . 1 1 42 42 SER CB C 42 64.643 64.643 63.865 0.778 17892 1449 1 5 . 1 1 42 42 SER H H 42 7.798 7.798 8.146 -0.348 17892 1450 1 5 . 1 1 43 43 LEU N N 43 121.149 121.149 124.210 -3.061 17892 1451 1 5 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.019 -0.154 17892 1452 1 5 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.487 0.364 17892 1453 1 5 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.621 -0.215 17892 1454 1 5 . 1 1 43 43 LEU H H 43 9.134 9.134 8.705 0.429 17892 1455 1 5 . 1 1 44 44 GLN N N 44 115.817 115.817 118.981 -3.164 17892 1456 1 5 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.105 -0.413 17892 1457 1 5 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.449 1.196 17892 1458 1 5 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.286 0.514 17892 1459 1 5 . 1 1 44 44 GLN H H 44 8.743 8.743 8.652 0.091 17892 1460 1 5 . 1 1 45 45 LEU N N 45 119.397 119.397 118.949 0.448 17892 1461 1 5 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.013 -0.125 17892 1462 1 5 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.530 -2.474 17892 1463 1 5 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.441 -0.264 17892 1464 1 5 . 1 1 45 45 LEU H H 45 7.895 7.895 8.084 -0.189 17892 1465 1 5 . 1 1 46 46 ALA N N 46 120.694 120.694 122.664 -1.970 17892 1466 1 5 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.149 -0.157 17892 1467 1 5 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.415 0.663 17892 1468 1 5 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.088 1.865 17892 1469 1 5 . 1 1 46 46 ALA H H 46 8.437 8.437 8.448 -0.011 17892 1470 1 5 . 1 1 47 47 LEU N N 47 116.298 116.298 118.994 -2.696 17892 1471 1 5 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.887 0.268 17892 1472 1 5 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.239 -0.188 17892 1473 1 5 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.641 0.942 17892 1474 1 5 . 1 1 47 47 LEU H H 47 8.552 8.552 8.908 -0.356 17892 1475 1 5 . 1 1 48 48 LYS N N 48 120.836 120.836 120.320 0.516 17892 1476 1 5 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.042 -0.518 17892 1477 1 5 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.118 0.344 17892 1478 1 5 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.496 0.639 17892 1479 1 5 . 1 1 48 48 LYS H H 48 7.863 7.863 8.509 -0.646 17892 1480 1 5 . 1 1 49 49 ILE N N 49 120.259 120.259 120.626 -0.367 17892 1481 1 5 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.825 -0.261 17892 1482 1 5 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.819 1.715 17892 1483 1 5 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.910 0.293 17892 1484 1 5 . 1 1 49 49 ILE H H 49 8.621 8.621 8.545 0.076 17892 1485 1 5 . 1 1 50 50 ALA N N 50 120.672 120.672 123.931 -3.259 17892 1486 1 5 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.121 -0.102 17892 1487 1 5 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.245 0.762 17892 1488 1 5 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.300 0.255 17892 1489 1 5 . 1 1 50 50 ALA H H 50 8.033 8.033 8.629 -0.596 17892 1490 1 5 . 1 1 51 51 TYR N N 51 117.393 117.393 120.340 -2.947 17892 1491 1 5 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.008 0.298 17892 1492 1 5 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.021 -0.094 17892 1493 1 5 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.527 0.246 17892 1494 1 5 . 1 1 51 51 TYR H H 51 8.108 8.108 8.611 -0.503 17892 1495 1 5 . 1 1 52 52 TYR N N 52 118.419 118.419 116.746 1.673 17892 1496 1 5 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.172 0.118 17892 1497 1 5 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.524 1.641 17892 1498 1 5 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.898 -0.870 17892 1499 1 5 . 1 1 52 52 TYR H H 52 8.891 8.891 8.520 0.371 17892 1500 1 5 . 1 1 53 53 LEU N N 53 115.657 115.657 116.856 -1.199 17892 1501 1 5 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.453 0.017 17892 1502 1 5 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.796 -0.176 17892 1503 1 5 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.951 -1.305 17892 1504 1 5 . 1 1 53 53 LEU H H 53 8.182 8.182 8.822 -0.640 17892 1505 1 5 . 1 1 54 54 ASN N N 54 122.127 122.127 116.495 5.632 17892 1506 1 5 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.234 0.174 17892 1507 1 5 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.296 -0.128 17892 1508 1 5 . 1 1 54 54 ASN CB C 54 38.167 38.167 36.951 1.216 17892 1509 1 5 . 1 1 54 54 ASN H H 54 8.048 8.048 7.684 0.364 17892 1510 1 5 . 1 1 55 55 THR N N 55 115.087 115.087 113.692 1.395 17892 1511 1 5 . 1 1 55 55 THR HA H 55 4.902 4.902 4.720 0.182 17892 1512 1 5 . 1 1 55 55 THR CA C 55 60.449 60.449 59.037 1.412 17892 1513 1 5 . 1 1 55 55 THR CB C 55 75.269 75.269 70.626 4.643 17892 1514 1 5 . 1 1 55 55 THR H H 55 8.134 8.134 7.982 0.152 17892 1515 1 5 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.528 0.061 17892 1516 1 5 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.820 0.325 17892 1517 1 5 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.395 0.086 17892 1518 1 5 . 1 1 57 57 LEU N N 57 127.729 127.729 126.201 1.528 17892 1519 1 5 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.089 -0.099 17892 1520 1 5 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.862 1.636 17892 1521 1 5 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.169 -0.126 17892 1522 1 5 . 1 1 57 57 LEU H H 57 9.788 9.788 8.603 1.185 17892 1523 1 5 . 1 1 58 58 GLU N N 58 123.764 123.764 119.531 4.233 17892 1524 1 5 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.294 0.540 17892 1525 1 5 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.945 0.093 17892 1526 1 5 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.903 0.705 17892 1527 1 5 . 1 1 58 58 GLU H H 58 9.188 9.188 8.641 0.547 17892 1528 1 5 . 1 1 59 59 ASP N N 59 117.867 117.867 117.895 -0.028 17892 1529 1 5 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.426 0.175 17892 1530 1 5 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.225 -0.052 17892 1531 1 5 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.607 -0.066 17892 1532 1 5 . 1 1 59 59 ASP H H 59 7.910 7.910 8.125 -0.215 17892 1533 1 5 . 1 1 60 60 ILE N N 60 119.503 119.503 118.240 1.263 17892 1534 1 5 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.676 -0.165 17892 1535 1 5 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.186 0.161 17892 1536 1 5 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.670 1.296 17892 1537 1 5 . 1 1 60 60 ILE H H 60 8.104 8.104 7.321 0.783 17892 1538 1 5 . 1 1 61 61 PHE N N 61 116.398 116.398 117.627 -1.229 17892 1539 1 5 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.441 0.019 17892 1540 1 5 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.537 0.471 17892 1541 1 5 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.201 2.630 17892 1542 1 5 . 1 1 61 61 PHE H H 61 8.463 8.463 8.665 -0.202 17892 1543 1 5 . 1 1 62 62 GLN N N 62 117.212 117.212 121.464 -4.252 17892 1544 1 5 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.828 0.173 17892 1545 1 5 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.671 0.908 17892 1546 1 5 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.104 1.274 17892 1547 1 5 . 1 1 62 62 GLN H H 62 8.572 8.572 9.096 -0.524 17892 1548 1 5 . 1 1 63 63 TRP N N 63 125.622 125.622 129.827 -4.205 17892 1549 1 5 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.856 0.320 17892 1550 1 5 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.718 -0.566 17892 1551 1 5 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.749 1.505 17892 1552 1 5 . 1 1 63 63 TRP H H 63 9.278 9.278 9.005 0.273 17892 1553 1 5 . 1 1 64 64 GLN N N 64 126.649 126.649 127.498 -0.849 17892 1554 1 5 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.501 -0.295 17892 1555 1 5 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.234 -0.347 17892 1556 1 5 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.098 1.066 17892 1557 1 5 . 1 1 64 64 GLN H H 64 7.841 7.841 8.909 -1.068 17892 1558 1 5 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.631 0.975 17892 1559 1 5 . 1 1 65 65 PRO CA C 65 62.102 62.102 64.261 -2.159 17892 1560 1 5 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.775 0.275 17892 1561 1 6 . 1 1 2 2 ILE N N 2 123.730 123.730 119.835 3.895 17892 1562 1 6 . 1 1 2 2 ILE HA H 2 4.987 4.987 5.032 -0.045 17892 1563 1 6 . 1 1 2 2 ILE CA C 2 60.330 60.330 59.710 0.620 17892 1564 1 6 . 1 1 2 2 ILE CB C 2 39.577 39.577 40.707 -1.130 17892 1565 1 6 . 1 1 2 2 ILE H H 2 8.813 8.813 7.693 1.120 17892 1566 1 6 . 1 1 3 3 ILE N N 3 129.451 129.451 128.214 1.237 17892 1567 1 6 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.199 0.115 17892 1568 1 6 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.685 0.027 17892 1569 1 6 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.475 -0.618 17892 1570 1 6 . 1 1 3 3 ILE H H 3 9.355 9.355 9.315 0.040 17892 1571 1 6 . 1 1 4 4 ASN N N 4 124.242 124.242 126.558 -2.316 17892 1572 1 6 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.106 0.344 17892 1573 1 6 . 1 1 4 4 ASN CA C 4 51.740 51.740 51.609 0.131 17892 1574 1 6 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.417 2.141 17892 1575 1 6 . 1 1 4 4 ASN H H 4 8.823 8.823 8.849 -0.026 17892 1576 1 6 . 1 1 5 5 ASN N N 5 121.916 121.916 125.980 -4.064 17892 1577 1 6 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.787 0.593 17892 1578 1 6 . 1 1 5 5 ASN CA C 5 52.021 52.021 53.079 -1.058 17892 1579 1 6 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.505 1.631 17892 1580 1 6 . 1 1 5 5 ASN H H 5 9.356 9.356 9.287 0.069 17892 1581 1 6 . 1 1 6 6 LEU N N 6 120.873 120.873 123.234 -2.361 17892 1582 1 6 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.837 -0.095 17892 1583 1 6 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.172 0.933 17892 1584 1 6 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.525 -0.170 17892 1585 1 6 . 1 1 6 6 LEU H H 6 8.419 8.419 9.119 -0.700 17892 1586 1 6 . 1 1 7 7 LYS N N 7 118.232 118.232 118.404 -0.172 17892 1587 1 6 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.188 -0.303 17892 1588 1 6 . 1 1 7 7 LYS CA C 7 60.857 60.857 58.954 1.903 17892 1589 1 6 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.841 2.011 17892 1590 1 6 . 1 1 7 7 LYS H H 7 8.820 8.820 8.317 0.503 17892 1591 1 6 . 1 1 8 8 LEU N N 8 116.679 116.679 120.821 -4.142 17892 1592 1 6 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.081 0.033 17892 1593 1 6 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.378 0.840 17892 1594 1 6 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.901 0.677 17892 1595 1 6 . 1 1 8 8 LEU H H 8 7.443 7.443 7.627 -0.184 17892 1596 1 6 . 1 1 9 9 ILE N N 9 119.043 119.043 119.187 -0.144 17892 1597 1 6 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.554 0.225 17892 1598 1 6 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.489 -2.083 17892 1599 1 6 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.591 -0.666 17892 1600 1 6 . 1 1 9 9 ILE H H 9 8.133 8.133 8.652 -0.519 17892 1601 1 6 . 1 1 10 10 ARG N N 10 120.200 120.200 120.601 -0.401 17892 1602 1 6 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.886 -0.044 17892 1603 1 6 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.217 1.060 17892 1604 1 6 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.071 -1.037 17892 1605 1 6 . 1 1 10 10 ARG H H 10 9.128 9.128 9.051 0.077 17892 1606 1 6 . 1 1 11 11 GLU N N 11 116.457 116.457 118.169 -1.712 17892 1607 1 6 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.081 0.033 17892 1608 1 6 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.858 1.077 17892 1609 1 6 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.097 0.367 17892 1610 1 6 . 1 1 11 11 GLU H H 11 8.555 8.555 8.062 0.493 17892 1611 1 6 . 1 1 12 12 LYS N N 12 122.500 122.500 119.940 2.560 17892 1612 1 6 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.019 0.144 17892 1613 1 6 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.443 0.523 17892 1614 1 6 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.446 0.102 17892 1615 1 6 . 1 1 12 12 LYS H H 12 8.169 8.169 7.895 0.274 17892 1616 1 6 . 1 1 13 13 LYS N N 13 116.690 116.690 118.332 -1.642 17892 1617 1 6 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.169 0.096 17892 1618 1 6 . 1 1 13 13 LYS CA C 13 55.620 55.620 57.288 -1.668 17892 1619 1 6 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.295 -0.197 17892 1620 1 6 . 1 1 13 13 LYS H H 13 7.748 7.748 8.495 -0.747 17892 1621 1 6 . 1 1 14 14 LYS N N 14 115.251 115.251 111.850 3.401 17892 1622 1 6 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.932 -0.018 17892 1623 1 6 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.182 0.285 17892 1624 1 6 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.183 -1.268 17892 1625 1 6 . 1 1 14 14 LYS H H 14 7.978 7.978 8.418 -0.440 17892 1626 1 6 . 1 1 15 15 ILE N N 15 118.640 118.640 121.271 -2.631 17892 1627 1 6 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.236 0.331 17892 1628 1 6 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.741 -0.120 17892 1629 1 6 . 1 1 15 15 ILE CB C 15 41.173 41.173 39.545 1.628 17892 1630 1 6 . 1 1 15 15 ILE H H 15 7.508 7.508 7.518 -0.010 17892 1631 1 6 . 1 1 16 16 SER N N 16 124.827 124.827 123.912 0.915 17892 1632 1 6 . 1 1 16 16 SER HA H 16 4.559 4.559 4.619 -0.060 17892 1633 1 6 . 1 1 16 16 SER CA C 16 57.422 57.422 57.941 -0.519 17892 1634 1 6 . 1 1 16 16 SER CB C 16 65.249 65.249 64.887 0.362 17892 1635 1 6 . 1 1 16 16 SER H H 16 9.220 9.220 9.695 -0.475 17892 1636 1 6 . 1 1 17 17 GLN N N 17 120.457 120.457 122.777 -2.320 17892 1637 1 6 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.976 -0.225 17892 1638 1 6 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.840 1.438 17892 1639 1 6 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.009 1.592 17892 1640 1 6 . 1 1 17 17 GLN H H 17 9.364 9.364 8.911 0.453 17892 1641 1 6 . 1 1 18 18 SER N N 18 112.796 112.796 116.183 -3.387 17892 1642 1 6 . 1 1 18 18 SER HA H 18 4.739 4.739 4.054 0.685 17892 1643 1 6 . 1 1 18 18 SER CA C 18 63.145 63.145 61.881 1.264 17892 1644 1 6 . 1 1 18 18 SER CB C 18 65.724 65.724 62.634 3.090 17892 1645 1 6 . 1 1 18 18 SER H H 18 8.680 8.680 8.701 -0.021 17892 1646 1 6 . 1 1 19 19 GLU N N 19 124.363 124.363 121.648 2.715 17892 1647 1 6 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.058 0.012 17892 1648 1 6 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.617 0.693 17892 1649 1 6 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.341 0.850 17892 1650 1 6 . 1 1 19 19 GLU H H 19 8.145 8.145 7.583 0.562 17892 1651 1 6 . 1 1 20 20 LEU N N 20 119.741 119.741 122.225 -2.484 17892 1652 1 6 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.916 0.184 17892 1653 1 6 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.700 0.407 17892 1654 1 6 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.407 0.148 17892 1655 1 6 . 1 1 20 20 LEU H H 20 8.161 8.161 8.195 -0.034 17892 1656 1 6 . 1 1 21 21 ALA N N 21 119.970 119.970 121.494 -1.524 17892 1657 1 6 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.946 -0.257 17892 1658 1 6 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.222 0.598 17892 1659 1 6 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.980 -0.582 17892 1660 1 6 . 1 1 21 21 ALA H H 21 8.436 8.436 8.986 -0.550 17892 1661 1 6 . 1 1 22 22 ALA N N 22 117.873 117.873 121.766 -3.893 17892 1662 1 6 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.030 0.174 17892 1663 1 6 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.541 0.520 17892 1664 1 6 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.453 -0.218 17892 1665 1 6 . 1 1 22 22 ALA H H 22 7.709 7.709 7.748 -0.039 17892 1666 1 6 . 1 1 23 23 LEU N N 23 118.771 118.771 117.966 0.805 17892 1667 1 6 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.675 0.240 17892 1668 1 6 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.428 0.222 17892 1669 1 6 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.479 0.455 17892 1670 1 6 . 1 1 23 23 LEU H H 23 7.543 7.543 8.340 -0.797 17892 1671 1 6 . 1 1 24 24 LEU N N 24 114.703 114.703 117.117 -2.414 17892 1672 1 6 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.380 -0.118 17892 1673 1 6 . 1 1 24 24 LEU CA C 24 55.851 55.851 55.383 0.468 17892 1674 1 6 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.955 2.028 17892 1675 1 6 . 1 1 24 24 LEU H H 24 7.430 7.430 8.216 -0.786 17892 1676 1 6 . 1 1 25 25 GLU N N 25 115.450 115.450 115.373 0.077 17892 1677 1 6 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.007 -0.101 17892 1678 1 6 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.353 0.432 17892 1679 1 6 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.784 -0.241 17892 1680 1 6 . 1 1 25 25 GLU H H 25 7.987 7.987 7.605 0.382 17892 1681 1 6 . 1 1 26 26 VAL N N 26 110.029 110.029 111.497 -1.468 17892 1682 1 6 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.589 0.251 17892 1683 1 6 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.405 -0.574 17892 1684 1 6 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.401 0.188 17892 1685 1 6 . 1 1 26 26 VAL H H 26 7.908 7.908 8.053 -0.145 17892 1686 1 6 . 1 1 27 27 SER N N 27 114.372 114.372 115.869 -1.497 17892 1687 1 6 . 1 1 27 27 SER HA H 27 4.761 4.761 4.670 0.091 17892 1688 1 6 . 1 1 27 27 SER CA C 27 56.661 56.661 57.362 -0.701 17892 1689 1 6 . 1 1 27 27 SER CB C 27 62.712 62.712 64.552 -1.840 17892 1690 1 6 . 1 1 27 27 SER H H 27 8.401 8.401 8.105 0.296 17892 1691 1 6 . 1 1 28 28 ARG N N 28 115.199 115.199 122.187 -6.988 17892 1692 1 6 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.969 -0.239 17892 1693 1 6 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.658 -0.280 17892 1694 1 6 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.750 -0.150 17892 1695 1 6 . 1 1 28 28 ARG H H 28 8.150 8.150 8.927 -0.777 17892 1696 1 6 . 1 1 29 29 GLN N N 29 117.559 117.559 117.384 0.175 17892 1697 1 6 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.088 0.024 17892 1698 1 6 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.003 0.632 17892 1699 1 6 . 1 1 29 29 GLN CB C 29 28.118 28.118 27.683 0.435 17892 1700 1 6 . 1 1 29 29 GLN H H 29 8.674 8.674 8.883 -0.209 17892 1701 1 6 . 1 1 30 30 THR N N 30 119.900 119.900 117.892 2.008 17892 1702 1 6 . 1 1 30 30 THR HA H 30 4.373 4.373 4.307 0.066 17892 1703 1 6 . 1 1 30 30 THR CA C 30 68.235 68.235 65.464 2.771 17892 1704 1 6 . 1 1 30 30 THR CB C 30 66.938 66.938 68.558 -1.620 17892 1705 1 6 . 1 1 30 30 THR H H 30 7.995 7.995 7.447 0.548 17892 1706 1 6 . 1 1 31 31 ILE N N 31 119.083 119.083 122.442 -3.359 17892 1707 1 6 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.740 0.004 17892 1708 1 6 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.943 -1.627 17892 1709 1 6 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.616 -0.989 17892 1710 1 6 . 1 1 31 31 ILE H H 31 7.118 7.118 8.013 -0.895 17892 1711 1 6 . 1 1 32 32 ASN N N 32 118.406 118.406 119.237 -0.831 17892 1712 1 6 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.438 -0.112 17892 1713 1 6 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.383 0.234 17892 1714 1 6 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.246 1.250 17892 1715 1 6 . 1 1 32 32 ASN H H 32 8.533 8.533 9.238 -0.705 17892 1716 1 6 . 1 1 33 33 GLY N N 33 125.014 125.014 109.287 15.727 17892 1717 1 6 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.955 0.735 17892 1718 1 6 . 1 1 33 33 GLY H H 33 8.477 8.477 8.659 -0.182 17892 1719 1 6 . 1 1 34 34 ILE N N 34 122.677 122.677 123.397 -0.720 17892 1720 1 6 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.982 0.275 17892 1721 1 6 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.624 0.628 17892 1722 1 6 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.099 0.737 17892 1723 1 6 . 1 1 34 34 ILE H H 34 8.178 8.178 7.879 0.299 17892 1724 1 6 . 1 1 35 35 GLU N N 35 120.928 120.928 119.394 1.534 17892 1725 1 6 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.974 0.189 17892 1726 1 6 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.134 1.196 17892 1727 1 6 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.761 -0.359 17892 1728 1 6 . 1 1 35 35 GLU H H 35 8.537 8.537 8.527 0.010 17892 1729 1 6 . 1 1 36 36 LYS N N 36 116.174 116.174 115.345 0.829 17892 1730 1 6 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.223 0.246 17892 1731 1 6 . 1 1 36 36 LYS CA C 36 56.029 56.029 56.185 -0.156 17892 1732 1 6 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.741 -0.252 17892 1733 1 6 . 1 1 36 36 LYS H H 36 7.978 7.978 8.339 -0.361 17892 1734 1 6 . 1 1 37 37 ASN N N 37 114.939 114.939 114.004 0.935 17892 1735 1 6 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.416 0.252 17892 1736 1 6 . 1 1 37 37 ASN CA C 37 55.052 55.052 53.944 1.108 17892 1737 1 6 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.516 1.013 17892 1738 1 6 . 1 1 37 37 ASN H H 37 8.150 8.150 7.868 0.282 17892 1739 1 6 . 1 1 38 38 LYS N N 38 115.469 115.469 117.535 -2.066 17892 1740 1 6 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.070 0.315 17892 1741 1 6 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.658 -1.898 17892 1742 1 6 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.025 0.568 17892 1743 1 6 . 1 1 38 38 LYS H H 38 8.586 8.586 8.245 0.341 17892 1744 1 6 . 1 1 39 39 TYR N N 39 117.011 117.011 111.918 5.093 17892 1745 1 6 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.724 -0.105 17892 1746 1 6 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.669 0.331 17892 1747 1 6 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.150 1.303 17892 1748 1 6 . 1 1 39 39 TYR H H 39 7.028 7.028 7.056 -0.028 17892 1749 1 6 . 1 1 40 40 ASN N N 40 123.592 123.592 119.427 4.165 17892 1750 1 6 . 1 1 40 40 ASN HA H 40 5.181 5.181 5.076 0.105 17892 1751 1 6 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.561 -0.326 17892 1752 1 6 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.255 -0.229 17892 1753 1 6 . 1 1 40 40 ASN H H 40 8.618 8.618 8.575 0.043 17892 1754 1 6 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.483 -0.719 17892 1755 1 6 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.762 0.286 17892 1756 1 6 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.172 -0.039 17892 1757 1 6 . 1 1 42 42 SER N N 42 125.240 125.240 115.440 9.800 17892 1758 1 6 . 1 1 42 42 SER HA H 42 4.530 4.530 4.251 0.279 17892 1759 1 6 . 1 1 42 42 SER CA C 42 58.052 58.052 57.908 0.144 17892 1760 1 6 . 1 1 42 42 SER CB C 42 64.643 64.643 63.888 0.755 17892 1761 1 6 . 1 1 42 42 SER H H 42 7.798 7.798 8.128 -0.330 17892 1762 1 6 . 1 1 43 43 LEU N N 43 121.149 121.149 124.041 -2.892 17892 1763 1 6 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.010 -0.145 17892 1764 1 6 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.603 0.248 17892 1765 1 6 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.514 -0.108 17892 1766 1 6 . 1 1 43 43 LEU H H 43 9.134 9.134 8.694 0.440 17892 1767 1 6 . 1 1 44 44 GLN N N 44 115.817 115.817 118.767 -2.950 17892 1768 1 6 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.090 -0.398 17892 1769 1 6 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.319 1.326 17892 1770 1 6 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.295 0.505 17892 1771 1 6 . 1 1 44 44 GLN H H 44 8.743 8.743 8.600 0.143 17892 1772 1 6 . 1 1 45 45 LEU N N 45 119.397 119.397 119.214 0.183 17892 1773 1 6 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.043 -0.155 17892 1774 1 6 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.244 -2.188 17892 1775 1 6 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.422 -0.245 17892 1776 1 6 . 1 1 45 45 LEU H H 45 7.895 7.895 7.925 -0.030 17892 1777 1 6 . 1 1 46 46 ALA N N 46 120.694 120.694 122.358 -1.664 17892 1778 1 6 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.842 0.150 17892 1779 1 6 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.197 0.881 17892 1780 1 6 . 1 1 46 46 ALA CB C 46 19.953 19.953 17.980 1.973 17892 1781 1 6 . 1 1 46 46 ALA H H 46 8.437 8.437 8.791 -0.354 17892 1782 1 6 . 1 1 47 47 LEU N N 47 116.298 116.298 118.755 -2.457 17892 1783 1 6 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.881 0.274 17892 1784 1 6 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.147 -0.096 17892 1785 1 6 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.588 0.995 17892 1786 1 6 . 1 1 47 47 LEU H H 47 8.552 8.552 8.645 -0.093 17892 1787 1 6 . 1 1 48 48 LYS N N 48 120.836 120.836 120.211 0.625 17892 1788 1 6 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.049 -0.526 17892 1789 1 6 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.027 0.435 17892 1790 1 6 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.398 0.737 17892 1791 1 6 . 1 1 48 48 LYS H H 48 7.863 7.863 8.013 -0.150 17892 1792 1 6 . 1 1 49 49 ILE N N 49 120.259 120.259 120.155 0.104 17892 1793 1 6 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.851 -0.287 17892 1794 1 6 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.263 2.271 17892 1795 1 6 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.904 0.299 17892 1796 1 6 . 1 1 49 49 ILE H H 49 8.621 8.621 8.149 0.472 17892 1797 1 6 . 1 1 50 50 ALA N N 50 120.672 120.672 123.600 -2.928 17892 1798 1 6 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.213 -0.194 17892 1799 1 6 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.121 0.886 17892 1800 1 6 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.492 0.063 17892 1801 1 6 . 1 1 50 50 ALA H H 50 8.033 8.033 8.557 -0.524 17892 1802 1 6 . 1 1 51 51 TYR N N 51 117.393 117.393 120.096 -2.703 17892 1803 1 6 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.040 0.266 17892 1804 1 6 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.315 -0.388 17892 1805 1 6 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.573 0.200 17892 1806 1 6 . 1 1 51 51 TYR H H 51 8.108 8.108 8.734 -0.626 17892 1807 1 6 . 1 1 52 52 TYR N N 52 118.419 118.419 118.599 -0.180 17892 1808 1 6 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.249 0.041 17892 1809 1 6 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.983 1.182 17892 1810 1 6 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.828 -0.800 17892 1811 1 6 . 1 1 52 52 TYR H H 52 8.891 8.891 8.621 0.270 17892 1812 1 6 . 1 1 53 53 LEU N N 53 115.657 115.657 116.281 -0.624 17892 1813 1 6 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.427 0.043 17892 1814 1 6 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.573 0.047 17892 1815 1 6 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.887 -1.241 17892 1816 1 6 . 1 1 53 53 LEU H H 53 8.182 8.182 8.483 -0.301 17892 1817 1 6 . 1 1 54 54 ASN N N 54 122.127 122.127 117.797 4.330 17892 1818 1 6 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.306 0.102 17892 1819 1 6 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.413 -0.245 17892 1820 1 6 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.646 0.521 17892 1821 1 6 . 1 1 54 54 ASN H H 54 8.048 8.048 7.809 0.239 17892 1822 1 6 . 1 1 55 55 THR N N 55 115.087 115.087 116.071 -0.984 17892 1823 1 6 . 1 1 55 55 THR HA H 55 4.902 4.902 4.814 0.088 17892 1824 1 6 . 1 1 55 55 THR CA C 55 60.449 60.449 60.369 0.080 17892 1825 1 6 . 1 1 55 55 THR CB C 55 75.269 75.269 70.360 4.909 17892 1826 1 6 . 1 1 55 55 THR H H 55 8.134 8.134 7.882 0.252 17892 1827 1 6 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.482 0.107 17892 1828 1 6 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.930 0.215 17892 1829 1 6 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.397 0.084 17892 1830 1 6 . 1 1 57 57 LEU N N 57 127.729 127.729 127.082 0.647 17892 1831 1 6 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.167 -0.177 17892 1832 1 6 . 1 1 57 57 LEU CA C 57 60.498 60.498 59.002 1.496 17892 1833 1 6 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.206 -0.163 17892 1834 1 6 . 1 1 57 57 LEU H H 57 9.788 9.788 8.639 1.149 17892 1835 1 6 . 1 1 58 58 GLU N N 58 123.764 123.764 117.976 5.788 17892 1836 1 6 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.497 0.337 17892 1837 1 6 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.935 0.103 17892 1838 1 6 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.209 0.399 17892 1839 1 6 . 1 1 58 58 GLU H H 58 9.188 9.188 8.634 0.554 17892 1840 1 6 . 1 1 59 59 ASP N N 59 117.867 117.867 118.124 -0.257 17892 1841 1 6 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.493 0.108 17892 1842 1 6 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.275 -0.102 17892 1843 1 6 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.635 -0.094 17892 1844 1 6 . 1 1 59 59 ASP H H 59 7.910 7.910 8.231 -0.321 17892 1845 1 6 . 1 1 60 60 ILE N N 60 119.503 119.503 117.980 1.523 17892 1846 1 6 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.723 -0.212 17892 1847 1 6 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.145 0.202 17892 1848 1 6 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.843 1.123 17892 1849 1 6 . 1 1 60 60 ILE H H 60 8.104 8.104 7.600 0.504 17892 1850 1 6 . 1 1 61 61 PHE N N 61 116.398 116.398 118.097 -1.699 17892 1851 1 6 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.476 -0.016 17892 1852 1 6 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.718 0.290 17892 1853 1 6 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.755 3.076 17892 1854 1 6 . 1 1 61 61 PHE H H 61 8.463 8.463 8.796 -0.333 17892 1855 1 6 . 1 1 62 62 GLN N N 62 117.212 117.212 121.378 -4.166 17892 1856 1 6 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.878 0.123 17892 1857 1 6 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.618 0.961 17892 1858 1 6 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.288 1.090 17892 1859 1 6 . 1 1 62 62 GLN H H 62 8.572 8.572 9.196 -0.624 17892 1860 1 6 . 1 1 63 63 TRP N N 63 125.622 125.622 128.963 -3.341 17892 1861 1 6 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.973 0.203 17892 1862 1 6 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.270 -0.118 17892 1863 1 6 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.314 0.940 17892 1864 1 6 . 1 1 63 63 TRP H H 63 9.278 9.278 8.968 0.310 17892 1865 1 6 . 1 1 64 64 GLN N N 64 126.649 126.649 127.154 -0.505 17892 1866 1 6 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.464 -0.258 17892 1867 1 6 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.386 -0.499 17892 1868 1 6 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.346 0.818 17892 1869 1 6 . 1 1 64 64 GLN H H 64 7.841 7.841 8.697 -0.856 17892 1870 1 6 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.520 1.086 17892 1871 1 6 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.834 -0.732 17892 1872 1 6 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.422 0.628 17892 1873 1 7 . 1 1 2 2 ILE N N 2 123.730 123.730 121.288 2.442 17892 1874 1 7 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.949 0.038 17892 1875 1 7 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.070 0.260 17892 1876 1 7 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.594 -0.017 17892 1877 1 7 . 1 1 2 2 ILE H H 2 8.813 8.813 7.867 0.946 17892 1878 1 7 . 1 1 3 3 ILE N N 3 129.451 129.451 127.921 1.530 17892 1879 1 7 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.169 0.145 17892 1880 1 7 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.682 0.030 17892 1881 1 7 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.145 -0.289 17892 1882 1 7 . 1 1 3 3 ILE H H 3 9.355 9.355 8.987 0.368 17892 1883 1 7 . 1 1 4 4 ASN N N 4 124.242 124.242 126.583 -2.341 17892 1884 1 7 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.895 0.555 17892 1885 1 7 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.199 -0.459 17892 1886 1 7 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.242 2.316 17892 1887 1 7 . 1 1 4 4 ASN H H 4 8.823 8.823 9.120 -0.297 17892 1888 1 7 . 1 1 5 5 ASN N N 5 121.916 121.916 123.834 -1.918 17892 1889 1 7 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.830 0.550 17892 1890 1 7 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.705 -0.684 17892 1891 1 7 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.238 0.899 17892 1892 1 7 . 1 1 5 5 ASN H H 5 9.356 9.356 8.978 0.378 17892 1893 1 7 . 1 1 6 6 LEU N N 6 120.873 120.873 123.091 -2.218 17892 1894 1 7 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.812 -0.070 17892 1895 1 7 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.211 0.895 17892 1896 1 7 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.567 -0.212 17892 1897 1 7 . 1 1 6 6 LEU H H 6 8.419 8.419 9.145 -0.726 17892 1898 1 7 . 1 1 7 7 LYS N N 7 118.232 118.232 117.822 0.410 17892 1899 1 7 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.984 -0.099 17892 1900 1 7 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.211 1.646 17892 1901 1 7 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.875 1.978 17892 1902 1 7 . 1 1 7 7 LYS H H 7 8.820 8.820 8.455 0.365 17892 1903 1 7 . 1 1 8 8 LEU N N 8 116.679 116.679 120.879 -4.200 17892 1904 1 7 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.087 0.027 17892 1905 1 7 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.367 0.851 17892 1906 1 7 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.837 0.741 17892 1907 1 7 . 1 1 8 8 LEU H H 8 7.443 7.443 7.598 -0.155 17892 1908 1 7 . 1 1 9 9 ILE N N 9 119.043 119.043 119.199 -0.156 17892 1909 1 7 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.539 0.240 17892 1910 1 7 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.766 -2.360 17892 1911 1 7 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.747 -0.822 17892 1912 1 7 . 1 1 9 9 ILE H H 9 8.133 8.133 8.176 -0.043 17892 1913 1 7 . 1 1 10 10 ARG N N 10 120.200 120.200 120.465 -0.265 17892 1914 1 7 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.838 0.004 17892 1915 1 7 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.045 1.232 17892 1916 1 7 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.227 -1.193 17892 1917 1 7 . 1 1 10 10 ARG H H 10 9.128 9.128 9.021 0.107 17892 1918 1 7 . 1 1 11 11 GLU N N 11 116.457 116.457 118.371 -1.914 17892 1919 1 7 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.047 0.067 17892 1920 1 7 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.905 1.031 17892 1921 1 7 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.149 0.315 17892 1922 1 7 . 1 1 11 11 GLU H H 11 8.555 8.555 8.283 0.272 17892 1923 1 7 . 1 1 12 12 LYS N N 12 122.500 122.500 120.066 2.434 17892 1924 1 7 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.002 0.161 17892 1925 1 7 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.429 0.537 17892 1926 1 7 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.439 0.109 17892 1927 1 7 . 1 1 12 12 LYS H H 12 8.169 8.169 7.848 0.321 17892 1928 1 7 . 1 1 13 13 LYS N N 13 116.690 116.690 118.059 -1.369 17892 1929 1 7 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.149 0.116 17892 1930 1 7 . 1 1 13 13 LYS CA C 13 55.620 55.620 57.233 -1.613 17892 1931 1 7 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.372 -0.273 17892 1932 1 7 . 1 1 13 13 LYS H H 13 7.748 7.748 8.363 -0.615 17892 1933 1 7 . 1 1 14 14 LYS N N 14 115.251 115.251 112.413 2.838 17892 1934 1 7 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.956 -0.042 17892 1935 1 7 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.024 0.443 17892 1936 1 7 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.030 -1.115 17892 1937 1 7 . 1 1 14 14 LYS H H 14 7.978 7.978 8.241 -0.263 17892 1938 1 7 . 1 1 15 15 ILE N N 15 118.640 118.640 120.609 -1.969 17892 1939 1 7 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.409 0.158 17892 1940 1 7 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.007 0.614 17892 1941 1 7 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.548 0.625 17892 1942 1 7 . 1 1 15 15 ILE H H 15 7.508 7.508 7.845 -0.337 17892 1943 1 7 . 1 1 16 16 SER N N 16 124.827 124.827 122.255 2.572 17892 1944 1 7 . 1 1 16 16 SER HA H 16 4.559 4.559 4.599 -0.040 17892 1945 1 7 . 1 1 16 16 SER CA C 16 57.422 57.422 58.901 -1.478 17892 1946 1 7 . 1 1 16 16 SER CB C 16 65.249 65.249 64.153 1.096 17892 1947 1 7 . 1 1 16 16 SER H H 16 9.220 9.220 9.631 -0.411 17892 1948 1 7 . 1 1 17 17 GLN N N 17 120.457 120.457 123.848 -3.391 17892 1949 1 7 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.944 -0.193 17892 1950 1 7 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.156 1.121 17892 1951 1 7 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.490 1.111 17892 1952 1 7 . 1 1 17 17 GLN H H 17 9.364 9.364 8.897 0.467 17892 1953 1 7 . 1 1 18 18 SER N N 18 112.796 112.796 114.805 -2.009 17892 1954 1 7 . 1 1 18 18 SER HA H 18 4.739 4.739 4.066 0.672 17892 1955 1 7 . 1 1 18 18 SER CA C 18 63.145 63.145 61.403 1.742 17892 1956 1 7 . 1 1 18 18 SER CB C 18 65.724 65.724 62.372 3.352 17892 1957 1 7 . 1 1 18 18 SER H H 18 8.680 8.680 8.597 0.083 17892 1958 1 7 . 1 1 19 19 GLU N N 19 124.363 124.363 122.120 2.243 17892 1959 1 7 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.118 -0.048 17892 1960 1 7 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.589 0.721 17892 1961 1 7 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.004 1.187 17892 1962 1 7 . 1 1 19 19 GLU H H 19 8.145 8.145 8.354 -0.209 17892 1963 1 7 . 1 1 20 20 LEU N N 20 119.741 119.741 121.935 -2.194 17892 1964 1 7 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.926 0.174 17892 1965 1 7 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.850 0.257 17892 1966 1 7 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.480 0.075 17892 1967 1 7 . 1 1 20 20 LEU H H 20 8.161 8.161 7.968 0.193 17892 1968 1 7 . 1 1 21 21 ALA N N 21 119.970 119.970 121.730 -1.760 17892 1969 1 7 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.910 -0.221 17892 1970 1 7 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.219 0.600 17892 1971 1 7 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.890 -0.492 17892 1972 1 7 . 1 1 21 21 ALA H H 21 8.436 8.436 8.561 -0.125 17892 1973 1 7 . 1 1 22 22 ALA N N 22 117.873 117.873 121.877 -4.004 17892 1974 1 7 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.988 0.216 17892 1975 1 7 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.775 0.286 17892 1976 1 7 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.475 -0.240 17892 1977 1 7 . 1 1 22 22 ALA H H 22 7.709 7.709 8.085 -0.376 17892 1978 1 7 . 1 1 23 23 LEU N N 23 118.771 118.771 118.855 -0.084 17892 1979 1 7 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.445 0.470 17892 1980 1 7 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.087 0.563 17892 1981 1 7 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.020 0.914 17892 1982 1 7 . 1 1 23 23 LEU H H 23 7.543 7.543 8.066 -0.523 17892 1983 1 7 . 1 1 24 24 LEU N N 24 114.703 114.703 117.158 -2.455 17892 1984 1 7 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.179 0.083 17892 1985 1 7 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.755 -0.904 17892 1986 1 7 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.007 1.976 17892 1987 1 7 . 1 1 24 24 LEU H H 24 7.430 7.430 8.374 -0.944 17892 1988 1 7 . 1 1 25 25 GLU N N 25 115.450 115.450 114.354 1.096 17892 1989 1 7 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.043 -0.137 17892 1990 1 7 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.192 0.594 17892 1991 1 7 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.424 0.119 17892 1992 1 7 . 1 1 25 25 GLU H H 25 7.987 7.987 8.321 -0.334 17892 1993 1 7 . 1 1 26 26 VAL N N 26 110.029 110.029 112.185 -2.156 17892 1994 1 7 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.576 0.264 17892 1995 1 7 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.667 -0.836 17892 1996 1 7 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.489 0.100 17892 1997 1 7 . 1 1 26 26 VAL H H 26 7.908 7.908 8.034 -0.126 17892 1998 1 7 . 1 1 27 27 SER N N 27 114.372 114.372 116.246 -1.874 17892 1999 1 7 . 1 1 27 27 SER HA H 27 4.761 4.761 4.543 0.218 17892 2000 1 7 . 1 1 27 27 SER CA C 27 56.661 56.661 58.020 -1.359 17892 2001 1 7 . 1 1 27 27 SER CB C 27 62.712 62.712 63.944 -1.232 17892 2002 1 7 . 1 1 27 27 SER H H 27 8.401 8.401 8.253 0.148 17892 2003 1 7 . 1 1 28 28 ARG N N 28 115.199 115.199 123.320 -8.121 17892 2004 1 7 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.934 -0.204 17892 2005 1 7 . 1 1 28 28 ARG CA C 28 60.378 60.378 59.980 0.398 17892 2006 1 7 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.985 -0.385 17892 2007 1 7 . 1 1 28 28 ARG H H 28 8.150 8.150 8.946 -0.796 17892 2008 1 7 . 1 1 29 29 GLN N N 29 117.559 117.559 115.960 1.599 17892 2009 1 7 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.098 0.014 17892 2010 1 7 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.090 0.544 17892 2011 1 7 . 1 1 29 29 GLN CB C 29 28.118 28.118 27.635 0.483 17892 2012 1 7 . 1 1 29 29 GLN H H 29 8.674 8.674 8.825 -0.151 17892 2013 1 7 . 1 1 30 30 THR N N 30 119.900 119.900 116.325 3.575 17892 2014 1 7 . 1 1 30 30 THR HA H 30 4.373 4.373 4.297 0.076 17892 2015 1 7 . 1 1 30 30 THR CA C 30 68.235 68.235 66.354 1.881 17892 2016 1 7 . 1 1 30 30 THR CB C 30 66.938 66.938 68.643 -1.705 17892 2017 1 7 . 1 1 30 30 THR H H 30 7.995 7.995 8.069 -0.074 17892 2018 1 7 . 1 1 31 31 ILE N N 31 119.083 119.083 123.558 -4.475 17892 2019 1 7 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.819 -0.075 17892 2020 1 7 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.898 -1.582 17892 2021 1 7 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.671 -1.044 17892 2022 1 7 . 1 1 31 31 ILE H H 31 7.118 7.118 7.385 -0.267 17892 2023 1 7 . 1 1 32 32 ASN N N 32 118.406 118.406 119.144 -0.738 17892 2024 1 7 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.398 -0.072 17892 2025 1 7 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.239 0.378 17892 2026 1 7 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.289 1.207 17892 2027 1 7 . 1 1 32 32 ASN H H 32 8.533 8.533 8.717 -0.184 17892 2028 1 7 . 1 1 33 33 GLY N N 33 125.014 125.014 108.999 16.015 17892 2029 1 7 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.136 0.554 17892 2030 1 7 . 1 1 33 33 GLY H H 33 8.477 8.477 8.307 0.170 17892 2031 1 7 . 1 1 34 34 ILE N N 34 122.677 122.677 123.095 -0.418 17892 2032 1 7 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.841 0.416 17892 2033 1 7 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.468 0.784 17892 2034 1 7 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.973 0.863 17892 2035 1 7 . 1 1 34 34 ILE H H 34 8.178 8.178 7.534 0.644 17892 2036 1 7 . 1 1 35 35 GLU N N 35 120.928 120.928 120.945 -0.017 17892 2037 1 7 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.012 0.151 17892 2038 1 7 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.795 0.535 17892 2039 1 7 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.440 -0.038 17892 2040 1 7 . 1 1 35 35 GLU H H 35 8.537 8.537 8.868 -0.331 17892 2041 1 7 . 1 1 36 36 LYS N N 36 116.174 116.174 118.069 -1.895 17892 2042 1 7 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.146 0.324 17892 2043 1 7 . 1 1 36 36 LYS CA C 36 56.029 56.029 56.478 -0.449 17892 2044 1 7 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.084 0.405 17892 2045 1 7 . 1 1 36 36 LYS H H 36 7.978 7.978 8.383 -0.405 17892 2046 1 7 . 1 1 37 37 ASN N N 37 114.939 114.939 115.255 -0.316 17892 2047 1 7 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.379 0.289 17892 2048 1 7 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.655 0.397 17892 2049 1 7 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.911 0.618 17892 2050 1 7 . 1 1 37 37 ASN H H 37 8.150 8.150 8.178 -0.028 17892 2051 1 7 . 1 1 38 38 LYS N N 38 115.469 115.469 118.985 -3.516 17892 2052 1 7 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.088 0.297 17892 2053 1 7 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.646 -1.886 17892 2054 1 7 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.546 0.047 17892 2055 1 7 . 1 1 38 38 LYS H H 38 8.586 8.586 8.320 0.266 17892 2056 1 7 . 1 1 39 39 TYR N N 39 117.011 117.011 111.596 5.415 17892 2057 1 7 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.745 -0.126 17892 2058 1 7 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.745 0.255 17892 2059 1 7 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.299 1.154 17892 2060 1 7 . 1 1 39 39 TYR H H 39 7.028 7.028 7.129 -0.101 17892 2061 1 7 . 1 1 40 40 ASN N N 40 123.592 123.592 119.417 4.175 17892 2062 1 7 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.946 0.235 17892 2063 1 7 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.238 -0.003 17892 2064 1 7 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.254 -0.228 17892 2065 1 7 . 1 1 40 40 ASN H H 40 8.618 8.618 8.577 0.041 17892 2066 1 7 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.550 -0.786 17892 2067 1 7 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.543 0.505 17892 2068 1 7 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.158 -0.026 17892 2069 1 7 . 1 1 42 42 SER N N 42 125.240 125.240 115.081 10.159 17892 2070 1 7 . 1 1 42 42 SER HA H 42 4.530 4.530 4.306 0.224 17892 2071 1 7 . 1 1 42 42 SER CA C 42 58.052 58.052 57.775 0.277 17892 2072 1 7 . 1 1 42 42 SER CB C 42 64.643 64.643 63.895 0.747 17892 2073 1 7 . 1 1 42 42 SER H H 42 7.798 7.798 8.159 -0.361 17892 2074 1 7 . 1 1 43 43 LEU N N 43 121.149 121.149 124.477 -3.328 17892 2075 1 7 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.006 -0.141 17892 2076 1 7 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.541 0.310 17892 2077 1 7 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.607 -0.201 17892 2078 1 7 . 1 1 43 43 LEU H H 43 9.134 9.134 8.725 0.409 17892 2079 1 7 . 1 1 44 44 GLN N N 44 115.817 115.817 118.850 -3.033 17892 2080 1 7 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.108 -0.416 17892 2081 1 7 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.384 1.261 17892 2082 1 7 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.311 0.489 17892 2083 1 7 . 1 1 44 44 GLN H H 44 8.743 8.743 8.607 0.136 17892 2084 1 7 . 1 1 45 45 LEU N N 45 119.397 119.397 118.899 0.498 17892 2085 1 7 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.006 -0.118 17892 2086 1 7 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.474 -2.418 17892 2087 1 7 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.495 -0.318 17892 2088 1 7 . 1 1 45 45 LEU H H 45 7.895 7.895 8.024 -0.129 17892 2089 1 7 . 1 1 46 46 ALA N N 46 120.694 120.694 122.324 -1.630 17892 2090 1 7 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.002 -0.010 17892 2091 1 7 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.189 0.889 17892 2092 1 7 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.036 1.917 17892 2093 1 7 . 1 1 46 46 ALA H H 46 8.437 8.437 8.514 -0.077 17892 2094 1 7 . 1 1 47 47 LEU N N 47 116.298 116.298 118.786 -2.488 17892 2095 1 7 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.890 0.265 17892 2096 1 7 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.062 -0.011 17892 2097 1 7 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.576 1.007 17892 2098 1 7 . 1 1 47 47 LEU H H 47 8.552 8.552 8.838 -0.286 17892 2099 1 7 . 1 1 48 48 LYS N N 48 120.836 120.836 119.839 0.997 17892 2100 1 7 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.107 -0.584 17892 2101 1 7 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.188 0.274 17892 2102 1 7 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.479 0.656 17892 2103 1 7 . 1 1 48 48 LYS H H 48 7.863 7.863 8.244 -0.381 17892 2104 1 7 . 1 1 49 49 ILE N N 49 120.259 120.259 120.134 0.125 17892 2105 1 7 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.828 -0.264 17892 2106 1 7 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.244 2.290 17892 2107 1 7 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.842 0.361 17892 2108 1 7 . 1 1 49 49 ILE H H 49 8.621 8.621 8.017 0.604 17892 2109 1 7 . 1 1 50 50 ALA N N 50 120.672 120.672 123.600 -2.928 17892 2110 1 7 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.212 -0.193 17892 2111 1 7 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.122 0.885 17892 2112 1 7 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.460 0.095 17892 2113 1 7 . 1 1 50 50 ALA H H 50 8.033 8.033 8.305 -0.272 17892 2114 1 7 . 1 1 51 51 TYR N N 51 117.393 117.393 120.248 -2.855 17892 2115 1 7 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.054 0.252 17892 2116 1 7 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.087 -0.160 17892 2117 1 7 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.487 0.286 17892 2118 1 7 . 1 1 51 51 TYR H H 51 8.108 8.108 8.537 -0.429 17892 2119 1 7 . 1 1 52 52 TYR N N 52 118.419 118.419 118.652 -0.233 17892 2120 1 7 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.029 0.261 17892 2121 1 7 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.877 1.288 17892 2122 1 7 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.744 -0.716 17892 2123 1 7 . 1 1 52 52 TYR H H 52 8.891 8.891 8.828 0.063 17892 2124 1 7 . 1 1 53 53 LEU N N 53 115.657 115.657 116.237 -0.580 17892 2125 1 7 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.347 0.123 17892 2126 1 7 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.823 -0.203 17892 2127 1 7 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.889 -1.243 17892 2128 1 7 . 1 1 53 53 LEU H H 53 8.182 8.182 8.306 -0.124 17892 2129 1 7 . 1 1 54 54 ASN N N 54 122.127 122.127 115.430 6.697 17892 2130 1 7 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.307 0.101 17892 2131 1 7 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.205 -0.037 17892 2132 1 7 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.410 0.757 17892 2133 1 7 . 1 1 54 54 ASN H H 54 8.048 8.048 7.994 0.054 17892 2134 1 7 . 1 1 55 55 THR N N 55 115.087 115.087 115.121 -0.034 17892 2135 1 7 . 1 1 55 55 THR HA H 55 4.902 4.902 4.781 0.121 17892 2136 1 7 . 1 1 55 55 THR CA C 55 60.449 60.449 60.217 0.232 17892 2137 1 7 . 1 1 55 55 THR CB C 55 75.269 75.269 70.810 4.459 17892 2138 1 7 . 1 1 55 55 THR H H 55 8.134 8.134 8.133 0.001 17892 2139 1 7 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.551 0.038 17892 2140 1 7 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.830 0.315 17892 2141 1 7 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.573 -0.092 17892 2142 1 7 . 1 1 57 57 LEU N N 57 127.729 127.729 126.139 1.590 17892 2143 1 7 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.140 -0.150 17892 2144 1 7 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.758 1.740 17892 2145 1 7 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.166 -0.123 17892 2146 1 7 . 1 1 57 57 LEU H H 57 9.788 9.788 8.608 1.180 17892 2147 1 7 . 1 1 58 58 GLU N N 58 123.764 123.764 116.955 6.809 17892 2148 1 7 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.400 0.434 17892 2149 1 7 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.856 0.182 17892 2150 1 7 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.246 0.362 17892 2151 1 7 . 1 1 58 58 GLU H H 58 9.188 9.188 8.523 0.665 17892 2152 1 7 . 1 1 59 59 ASP N N 59 117.867 117.867 117.807 0.060 17892 2153 1 7 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.475 0.126 17892 2154 1 7 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.340 -0.167 17892 2155 1 7 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.805 -0.264 17892 2156 1 7 . 1 1 59 59 ASP H H 59 7.910 7.910 7.824 0.086 17892 2157 1 7 . 1 1 60 60 ILE N N 60 119.503 119.503 117.455 2.048 17892 2158 1 7 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.657 -0.146 17892 2159 1 7 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.737 0.610 17892 2160 1 7 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.438 1.528 17892 2161 1 7 . 1 1 60 60 ILE H H 60 8.104 8.104 7.044 1.060 17892 2162 1 7 . 1 1 61 61 PHE N N 61 116.398 116.398 117.568 -1.170 17892 2163 1 7 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.484 -0.024 17892 2164 1 7 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.576 0.432 17892 2165 1 7 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.398 2.433 17892 2166 1 7 . 1 1 61 61 PHE H H 61 8.463 8.463 8.749 -0.286 17892 2167 1 7 . 1 1 62 62 GLN N N 62 117.212 117.212 121.216 -4.004 17892 2168 1 7 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.812 0.189 17892 2169 1 7 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.660 0.919 17892 2170 1 7 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.328 1.050 17892 2171 1 7 . 1 1 62 62 GLN H H 62 8.572 8.572 8.801 -0.229 17892 2172 1 7 . 1 1 63 63 TRP N N 63 125.622 125.622 129.525 -3.903 17892 2173 1 7 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.982 0.194 17892 2174 1 7 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.670 -0.518 17892 2175 1 7 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.869 1.385 17892 2176 1 7 . 1 1 63 63 TRP H H 63 9.278 9.278 8.952 0.326 17892 2177 1 7 . 1 1 64 64 GLN N N 64 126.649 126.649 127.528 -0.879 17892 2178 1 7 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.546 -0.340 17892 2179 1 7 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.727 -0.840 17892 2180 1 7 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.589 1.575 17892 2181 1 7 . 1 1 64 64 GLN H H 64 7.841 7.841 8.642 -0.801 17892 2182 1 7 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.800 0.806 17892 2183 1 7 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.713 -0.611 17892 2184 1 7 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.125 -0.075 17892 2185 1 8 . 1 1 2 2 ILE N N 2 123.730 123.730 122.509 1.221 17892 2186 1 8 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.825 0.162 17892 2187 1 8 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.339 -0.009 17892 2188 1 8 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.826 -0.249 17892 2189 1 8 . 1 1 2 2 ILE H H 2 8.813 8.813 7.888 0.925 17892 2190 1 8 . 1 1 3 3 ILE N N 3 129.451 129.451 128.998 0.453 17892 2191 1 8 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.063 0.251 17892 2192 1 8 . 1 1 3 3 ILE CA C 3 60.712 60.712 61.840 -1.128 17892 2193 1 8 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.039 -0.182 17892 2194 1 8 . 1 1 3 3 ILE H H 3 9.355 9.355 9.103 0.252 17892 2195 1 8 . 1 1 4 4 ASN N N 4 124.242 124.242 125.831 -1.589 17892 2196 1 8 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.251 0.199 17892 2197 1 8 . 1 1 4 4 ASN CA C 4 51.740 51.740 51.985 -0.245 17892 2198 1 8 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.823 1.735 17892 2199 1 8 . 1 1 4 4 ASN H H 4 8.823 8.823 8.721 0.102 17892 2200 1 8 . 1 1 5 5 ASN N N 5 121.916 121.916 123.611 -1.695 17892 2201 1 8 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.831 0.549 17892 2202 1 8 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.831 -0.810 17892 2203 1 8 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.066 1.071 17892 2204 1 8 . 1 1 5 5 ASN H H 5 9.356 9.356 9.082 0.274 17892 2205 1 8 . 1 1 6 6 LEU N N 6 120.873 120.873 122.934 -2.061 17892 2206 1 8 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.746 -0.004 17892 2207 1 8 . 1 1 6 6 LEU CA C 6 60.105 60.105 58.968 1.137 17892 2208 1 8 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.547 -0.192 17892 2209 1 8 . 1 1 6 6 LEU H H 6 8.419 8.419 8.988 -0.569 17892 2210 1 8 . 1 1 7 7 LYS N N 7 118.232 118.232 118.073 0.159 17892 2211 1 8 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.940 -0.055 17892 2212 1 8 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.544 1.313 17892 2213 1 8 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.024 1.829 17892 2214 1 8 . 1 1 7 7 LYS H H 7 8.820 8.820 8.386 0.434 17892 2215 1 8 . 1 1 8 8 LEU N N 8 116.679 116.679 120.953 -4.274 17892 2216 1 8 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.074 0.040 17892 2217 1 8 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.354 0.864 17892 2218 1 8 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.790 0.788 17892 2219 1 8 . 1 1 8 8 LEU H H 8 7.443 7.443 7.642 -0.199 17892 2220 1 8 . 1 1 9 9 ILE N N 9 119.043 119.043 118.991 0.052 17892 2221 1 8 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.556 0.223 17892 2222 1 8 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.408 -2.002 17892 2223 1 8 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.578 -0.653 17892 2224 1 8 . 1 1 9 9 ILE H H 9 8.133 8.133 8.545 -0.412 17892 2225 1 8 . 1 1 10 10 ARG N N 10 120.200 120.200 120.680 -0.480 17892 2226 1 8 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.830 0.012 17892 2227 1 8 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.080 1.198 17892 2228 1 8 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.165 -1.131 17892 2229 1 8 . 1 1 10 10 ARG H H 10 9.128 9.128 8.892 0.236 17892 2230 1 8 . 1 1 11 11 GLU N N 11 116.457 116.457 118.129 -1.672 17892 2231 1 8 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.088 0.026 17892 2232 1 8 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.649 1.287 17892 2233 1 8 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.128 0.336 17892 2234 1 8 . 1 1 11 11 GLU H H 11 8.555 8.555 8.613 -0.058 17892 2235 1 8 . 1 1 12 12 LYS N N 12 122.500 122.500 119.824 2.676 17892 2236 1 8 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.075 0.088 17892 2237 1 8 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.794 1.172 17892 2238 1 8 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.576 -0.028 17892 2239 1 8 . 1 1 12 12 LYS H H 12 8.169 8.169 7.721 0.448 17892 2240 1 8 . 1 1 13 13 LYS N N 13 116.690 116.690 115.046 1.644 17892 2241 1 8 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.263 0.002 17892 2242 1 8 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.313 0.307 17892 2243 1 8 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.018 0.081 17892 2244 1 8 . 1 1 13 13 LYS H H 13 7.748 7.748 8.118 -0.370 17892 2245 1 8 . 1 1 14 14 LYS N N 14 115.251 115.251 114.335 0.916 17892 2246 1 8 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.929 -0.015 17892 2247 1 8 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.055 0.412 17892 2248 1 8 . 1 1 14 14 LYS CB C 14 28.915 28.915 29.771 -0.856 17892 2249 1 8 . 1 1 14 14 LYS H H 14 7.978 7.978 7.569 0.409 17892 2250 1 8 . 1 1 15 15 ILE N N 15 118.640 118.640 120.254 -1.614 17892 2251 1 8 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.254 0.313 17892 2252 1 8 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.697 -0.076 17892 2253 1 8 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.081 1.091 17892 2254 1 8 . 1 1 15 15 ILE H H 15 7.508 7.508 7.997 -0.489 17892 2255 1 8 . 1 1 16 16 SER N N 16 124.827 124.827 122.254 2.573 17892 2256 1 8 . 1 1 16 16 SER HA H 16 4.559 4.559 4.560 -0.001 17892 2257 1 8 . 1 1 16 16 SER CA C 16 57.422 57.422 58.930 -1.508 17892 2258 1 8 . 1 1 16 16 SER CB C 16 65.249 65.249 64.051 1.198 17892 2259 1 8 . 1 1 16 16 SER H H 16 9.220 9.220 9.658 -0.438 17892 2260 1 8 . 1 1 17 17 GLN N N 17 120.457 120.457 123.201 -2.744 17892 2261 1 8 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.932 -0.181 17892 2262 1 8 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.472 0.805 17892 2263 1 8 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.566 1.035 17892 2264 1 8 . 1 1 17 17 GLN H H 17 9.364 9.364 8.946 0.418 17892 2265 1 8 . 1 1 18 18 SER N N 18 112.796 112.796 114.963 -2.167 17892 2266 1 8 . 1 1 18 18 SER HA H 18 4.739 4.739 4.062 0.677 17892 2267 1 8 . 1 1 18 18 SER CA C 18 63.145 63.145 61.636 1.509 17892 2268 1 8 . 1 1 18 18 SER CB C 18 65.724 65.724 62.427 3.297 17892 2269 1 8 . 1 1 18 18 SER H H 18 8.680 8.680 8.654 0.026 17892 2270 1 8 . 1 1 19 19 GLU N N 19 124.363 124.363 122.260 2.103 17892 2271 1 8 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.118 -0.048 17892 2272 1 8 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.745 0.565 17892 2273 1 8 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.007 1.184 17892 2274 1 8 . 1 1 19 19 GLU H H 19 8.145 8.145 8.346 -0.201 17892 2275 1 8 . 1 1 20 20 LEU N N 20 119.741 119.741 121.945 -2.204 17892 2276 1 8 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.900 0.200 17892 2277 1 8 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.835 0.272 17892 2278 1 8 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.450 0.105 17892 2279 1 8 . 1 1 20 20 LEU H H 20 8.161 8.161 8.176 -0.015 17892 2280 1 8 . 1 1 21 21 ALA N N 21 119.970 119.970 121.700 -1.730 17892 2281 1 8 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.910 -0.221 17892 2282 1 8 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.238 0.582 17892 2283 1 8 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.959 -0.561 17892 2284 1 8 . 1 1 21 21 ALA H H 21 8.436 8.436 8.560 -0.124 17892 2285 1 8 . 1 1 22 22 ALA N N 22 117.873 117.873 121.844 -3.971 17892 2286 1 8 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.985 0.219 17892 2287 1 8 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.775 0.286 17892 2288 1 8 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.491 -0.256 17892 2289 1 8 . 1 1 22 22 ALA H H 22 7.709 7.709 8.021 -0.312 17892 2290 1 8 . 1 1 23 23 LEU N N 23 118.771 118.771 118.782 -0.011 17892 2291 1 8 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.487 0.428 17892 2292 1 8 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.216 0.434 17892 2293 1 8 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.668 1.266 17892 2294 1 8 . 1 1 23 23 LEU H H 23 7.543 7.543 8.251 -0.708 17892 2295 1 8 . 1 1 24 24 LEU N N 24 114.703 114.703 118.084 -3.381 17892 2296 1 8 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.194 0.068 17892 2297 1 8 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.337 -1.486 17892 2298 1 8 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.962 2.021 17892 2299 1 8 . 1 1 24 24 LEU H H 24 7.430 7.430 8.519 -1.089 17892 2300 1 8 . 1 1 25 25 GLU N N 25 115.450 115.450 113.977 1.473 17892 2301 1 8 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.990 -0.084 17892 2302 1 8 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.124 0.662 17892 2303 1 8 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.688 -0.145 17892 2304 1 8 . 1 1 25 25 GLU H H 25 7.987 7.987 8.327 -0.340 17892 2305 1 8 . 1 1 26 26 VAL N N 26 110.029 110.029 113.063 -3.034 17892 2306 1 8 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.633 0.207 17892 2307 1 8 . 1 1 26 26 VAL CA C 26 58.831 58.831 58.944 -0.113 17892 2308 1 8 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.297 0.292 17892 2309 1 8 . 1 1 26 26 VAL H H 26 7.908 7.908 7.968 -0.060 17892 2310 1 8 . 1 1 27 27 SER N N 27 114.372 114.372 115.929 -1.557 17892 2311 1 8 . 1 1 27 27 SER HA H 27 4.761 4.761 4.528 0.233 17892 2312 1 8 . 1 1 27 27 SER CA C 27 56.661 56.661 57.678 -1.017 17892 2313 1 8 . 1 1 27 27 SER CB C 27 62.712 62.712 64.363 -1.651 17892 2314 1 8 . 1 1 27 27 SER H H 27 8.401 8.401 8.144 0.257 17892 2315 1 8 . 1 1 28 28 ARG N N 28 115.199 115.199 123.031 -7.832 17892 2316 1 8 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.977 -0.247 17892 2317 1 8 . 1 1 28 28 ARG CA C 28 60.378 60.378 59.836 0.542 17892 2318 1 8 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.103 -0.503 17892 2319 1 8 . 1 1 28 28 ARG H H 28 8.150 8.150 8.902 -0.752 17892 2320 1 8 . 1 1 29 29 GLN N N 29 117.559 117.559 116.318 1.241 17892 2321 1 8 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.111 0.001 17892 2322 1 8 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.329 0.306 17892 2323 1 8 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.152 -0.034 17892 2324 1 8 . 1 1 29 29 GLN H H 29 8.674 8.674 8.888 -0.214 17892 2325 1 8 . 1 1 30 30 THR N N 30 119.900 119.900 116.414 3.486 17892 2326 1 8 . 1 1 30 30 THR HA H 30 4.373 4.373 4.279 0.094 17892 2327 1 8 . 1 1 30 30 THR CA C 30 68.235 68.235 66.412 1.823 17892 2328 1 8 . 1 1 30 30 THR CB C 30 66.938 66.938 68.550 -1.612 17892 2329 1 8 . 1 1 30 30 THR H H 30 7.995 7.995 7.754 0.241 17892 2330 1 8 . 1 1 31 31 ILE N N 31 119.083 119.083 123.193 -4.110 17892 2331 1 8 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.812 -0.068 17892 2332 1 8 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.743 -1.427 17892 2333 1 8 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.520 -0.893 17892 2334 1 8 . 1 1 31 31 ILE H H 31 7.118 7.118 7.369 -0.251 17892 2335 1 8 . 1 1 32 32 ASN N N 32 118.406 118.406 119.208 -0.802 17892 2336 1 8 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.413 -0.087 17892 2337 1 8 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.321 0.296 17892 2338 1 8 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.370 1.126 17892 2339 1 8 . 1 1 32 32 ASN H H 32 8.533 8.533 8.628 -0.095 17892 2340 1 8 . 1 1 33 33 GLY N N 33 125.014 125.014 109.236 15.778 17892 2341 1 8 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.168 0.522 17892 2342 1 8 . 1 1 33 33 GLY H H 33 8.477 8.477 8.753 -0.276 17892 2343 1 8 . 1 1 34 34 ILE N N 34 122.677 122.677 122.969 -0.292 17892 2344 1 8 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.853 0.404 17892 2345 1 8 . 1 1 34 34 ILE CA C 34 65.252 65.252 62.721 2.531 17892 2346 1 8 . 1 1 34 34 ILE CB C 34 38.836 38.836 36.961 1.875 17892 2347 1 8 . 1 1 34 34 ILE H H 34 8.178 8.178 7.699 0.479 17892 2348 1 8 . 1 1 35 35 GLU N N 35 120.928 120.928 121.303 -0.375 17892 2349 1 8 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.000 0.163 17892 2350 1 8 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.955 0.375 17892 2351 1 8 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.504 -0.102 17892 2352 1 8 . 1 1 35 35 GLU H H 35 8.537 8.537 8.817 -0.280 17892 2353 1 8 . 1 1 36 36 LYS N N 36 116.174 116.174 117.464 -1.290 17892 2354 1 8 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.215 0.256 17892 2355 1 8 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.575 0.454 17892 2356 1 8 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.536 0.953 17892 2357 1 8 . 1 1 36 36 LYS H H 36 7.978 7.978 7.864 0.114 17892 2358 1 8 . 1 1 37 37 ASN N N 37 114.939 114.939 114.952 -0.013 17892 2359 1 8 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.357 0.311 17892 2360 1 8 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.423 0.629 17892 2361 1 8 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.106 1.423 17892 2362 1 8 . 1 1 37 37 ASN H H 37 8.150 8.150 8.220 -0.070 17892 2363 1 8 . 1 1 38 38 LYS N N 38 115.469 115.469 118.758 -3.289 17892 2364 1 8 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.040 0.345 17892 2365 1 8 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.776 -2.016 17892 2366 1 8 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.342 0.251 17892 2367 1 8 . 1 1 38 38 LYS H H 38 8.586 8.586 8.351 0.235 17892 2368 1 8 . 1 1 39 39 TYR N N 39 117.011 117.011 112.385 4.626 17892 2369 1 8 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.770 -0.151 17892 2370 1 8 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.526 0.474 17892 2371 1 8 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.464 0.989 17892 2372 1 8 . 1 1 39 39 TYR H H 39 7.028 7.028 7.003 0.025 17892 2373 1 8 . 1 1 40 40 ASN N N 40 123.592 123.592 119.841 3.751 17892 2374 1 8 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.847 0.334 17892 2375 1 8 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.032 -0.797 17892 2376 1 8 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.227 -0.201 17892 2377 1 8 . 1 1 40 40 ASN H H 40 8.618 8.618 8.502 0.116 17892 2378 1 8 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.416 -0.652 17892 2379 1 8 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.363 0.685 17892 2380 1 8 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.076 0.057 17892 2381 1 8 . 1 1 42 42 SER N N 42 125.240 125.240 115.456 9.784 17892 2382 1 8 . 1 1 42 42 SER HA H 42 4.530 4.530 4.298 0.232 17892 2383 1 8 . 1 1 42 42 SER CA C 42 58.052 58.052 57.692 0.360 17892 2384 1 8 . 1 1 42 42 SER CB C 42 64.643 64.643 63.550 1.093 17892 2385 1 8 . 1 1 42 42 SER H H 42 7.798 7.798 8.254 -0.456 17892 2386 1 8 . 1 1 43 43 LEU N N 43 121.149 121.149 125.267 -4.118 17892 2387 1 8 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.056 -0.191 17892 2388 1 8 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.588 0.263 17892 2389 1 8 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.732 -0.326 17892 2390 1 8 . 1 1 43 43 LEU H H 43 9.134 9.134 8.667 0.467 17892 2391 1 8 . 1 1 44 44 GLN N N 44 115.817 115.817 118.890 -3.073 17892 2392 1 8 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.076 -0.384 17892 2393 1 8 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.521 1.124 17892 2394 1 8 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.293 0.507 17892 2395 1 8 . 1 1 44 44 GLN H H 44 8.743 8.743 8.599 0.144 17892 2396 1 8 . 1 1 45 45 LEU N N 45 119.397 119.397 119.373 0.024 17892 2397 1 8 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.070 -0.182 17892 2398 1 8 . 1 1 45 45 LEU CA C 45 55.056 55.056 58.050 -2.994 17892 2399 1 8 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.154 0.023 17892 2400 1 8 . 1 1 45 45 LEU H H 45 7.895 7.895 8.074 -0.179 17892 2401 1 8 . 1 1 46 46 ALA N N 46 120.694 120.694 122.348 -1.654 17892 2402 1 8 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.031 -0.039 17892 2403 1 8 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.348 0.730 17892 2404 1 8 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.099 1.854 17892 2405 1 8 . 1 1 46 46 ALA H H 46 8.437 8.437 8.802 -0.365 17892 2406 1 8 . 1 1 47 47 LEU N N 47 116.298 116.298 118.720 -2.422 17892 2407 1 8 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.907 0.248 17892 2408 1 8 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.099 -0.049 17892 2409 1 8 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.603 0.980 17892 2410 1 8 . 1 1 47 47 LEU H H 47 8.552 8.552 8.852 -0.300 17892 2411 1 8 . 1 1 48 48 LYS N N 48 120.836 120.836 120.088 0.748 17892 2412 1 8 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.959 -0.436 17892 2413 1 8 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.294 0.168 17892 2414 1 8 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.534 0.601 17892 2415 1 8 . 1 1 48 48 LYS H H 48 7.863 7.863 8.627 -0.764 17892 2416 1 8 . 1 1 49 49 ILE N N 49 120.259 120.259 120.121 0.138 17892 2417 1 8 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.869 -0.305 17892 2418 1 8 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.322 2.212 17892 2419 1 8 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.894 0.309 17892 2420 1 8 . 1 1 49 49 ILE H H 49 8.621 8.621 8.588 0.033 17892 2421 1 8 . 1 1 50 50 ALA N N 50 120.672 120.672 123.776 -3.104 17892 2422 1 8 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.176 -0.157 17892 2423 1 8 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.160 0.847 17892 2424 1 8 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.354 0.202 17892 2425 1 8 . 1 1 50 50 ALA H H 50 8.033 8.033 8.350 -0.317 17892 2426 1 8 . 1 1 51 51 TYR N N 51 117.393 117.393 120.363 -2.970 17892 2427 1 8 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.051 0.255 17892 2428 1 8 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.274 -0.347 17892 2429 1 8 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.526 0.247 17892 2430 1 8 . 1 1 51 51 TYR H H 51 8.108 8.108 8.682 -0.574 17892 2431 1 8 . 1 1 52 52 TYR N N 52 118.419 118.419 118.758 -0.339 17892 2432 1 8 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.351 -0.061 17892 2433 1 8 . 1 1 52 52 TYR CA C 52 63.165 63.165 62.002 1.163 17892 2434 1 8 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.803 -0.776 17892 2435 1 8 . 1 1 52 52 TYR H H 52 8.891 8.891 8.823 0.068 17892 2436 1 8 . 1 1 53 53 LEU N N 53 115.657 115.657 116.513 -0.856 17892 2437 1 8 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.482 -0.012 17892 2438 1 8 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.504 0.116 17892 2439 1 8 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.932 -1.286 17892 2440 1 8 . 1 1 53 53 LEU H H 53 8.182 8.182 8.591 -0.409 17892 2441 1 8 . 1 1 54 54 ASN N N 54 122.127 122.127 116.718 5.409 17892 2442 1 8 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.248 0.160 17892 2443 1 8 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.060 0.108 17892 2444 1 8 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.626 0.541 17892 2445 1 8 . 1 1 54 54 ASN H H 54 8.048 8.048 7.786 0.262 17892 2446 1 8 . 1 1 55 55 THR N N 55 115.087 115.087 115.419 -0.332 17892 2447 1 8 . 1 1 55 55 THR HA H 55 4.902 4.902 4.787 0.115 17892 2448 1 8 . 1 1 55 55 THR CA C 55 60.449 60.449 60.211 0.239 17892 2449 1 8 . 1 1 55 55 THR CB C 55 75.269 75.269 70.606 4.662 17892 2450 1 8 . 1 1 55 55 THR H H 55 8.134 8.134 8.163 -0.029 17892 2451 1 8 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.460 0.129 17892 2452 1 8 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.781 0.364 17892 2453 1 8 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.395 0.086 17892 2454 1 8 . 1 1 57 57 LEU N N 57 127.729 127.729 127.278 0.451 17892 2455 1 8 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.111 -0.121 17892 2456 1 8 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.535 1.963 17892 2457 1 8 . 1 1 57 57 LEU CB C 57 42.043 42.043 41.962 0.082 17892 2458 1 8 . 1 1 57 57 LEU H H 57 9.788 9.788 8.558 1.230 17892 2459 1 8 . 1 1 58 58 GLU N N 58 123.764 123.764 119.070 4.694 17892 2460 1 8 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.342 0.492 17892 2461 1 8 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.862 0.176 17892 2462 1 8 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.875 0.734 17892 2463 1 8 . 1 1 58 58 GLU H H 58 9.188 9.188 8.639 0.549 17892 2464 1 8 . 1 1 59 59 ASP N N 59 117.867 117.867 117.741 0.126 17892 2465 1 8 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.380 0.221 17892 2466 1 8 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.175 -0.002 17892 2467 1 8 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.627 -0.085 17892 2468 1 8 . 1 1 59 59 ASP H H 59 7.910 7.910 8.179 -0.269 17892 2469 1 8 . 1 1 60 60 ILE N N 60 119.503 119.503 117.130 2.373 17892 2470 1 8 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.739 -0.228 17892 2471 1 8 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.214 1.133 17892 2472 1 8 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.717 1.249 17892 2473 1 8 . 1 1 60 60 ILE H H 60 8.104 8.104 7.055 1.049 17892 2474 1 8 . 1 1 61 61 PHE N N 61 116.398 116.398 117.030 -0.632 17892 2475 1 8 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.646 -0.186 17892 2476 1 8 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.533 0.475 17892 2477 1 8 . 1 1 61 61 PHE CB C 61 42.831 42.831 41.241 1.590 17892 2478 1 8 . 1 1 61 61 PHE H H 61 8.463 8.463 8.634 -0.171 17892 2479 1 8 . 1 1 62 62 GLN N N 62 117.212 117.212 120.298 -3.086 17892 2480 1 8 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.809 0.192 17892 2481 1 8 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.949 0.630 17892 2482 1 8 . 1 1 62 62 GLN CB C 62 32.378 32.378 32.243 0.134 17892 2483 1 8 . 1 1 62 62 GLN H H 62 8.572 8.572 9.126 -0.554 17892 2484 1 8 . 1 1 63 63 TRP N N 63 125.622 125.622 127.836 -2.214 17892 2485 1 8 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.960 0.216 17892 2486 1 8 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.474 -0.322 17892 2487 1 8 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.713 1.541 17892 2488 1 8 . 1 1 63 63 TRP H H 63 9.278 9.278 8.822 0.456 17892 2489 1 8 . 1 1 64 64 GLN N N 64 126.649 126.649 127.922 -1.273 17892 2490 1 8 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.561 -0.355 17892 2491 1 8 . 1 1 64 64 GLN CA C 64 51.887 51.887 53.806 -1.919 17892 2492 1 8 . 1 1 64 64 GLN CB C 64 31.164 31.164 28.788 2.376 17892 2493 1 8 . 1 1 64 64 GLN H H 64 7.841 7.841 7.974 -0.133 17892 2494 1 8 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.759 0.847 17892 2495 1 8 . 1 1 65 65 PRO CA C 65 62.102 62.102 63.559 -1.457 17892 2496 1 8 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.693 0.357 17892 2497 1 9 . 1 1 2 2 ILE N N 2 123.730 123.730 121.300 2.430 17892 2498 1 9 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.943 0.044 17892 2499 1 9 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.207 0.123 17892 2500 1 9 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.389 0.188 17892 2501 1 9 . 1 1 2 2 ILE H H 2 8.813 8.813 7.773 1.040 17892 2502 1 9 . 1 1 3 3 ILE N N 3 129.451 129.451 128.964 0.487 17892 2503 1 9 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.179 0.135 17892 2504 1 9 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.627 0.085 17892 2505 1 9 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.175 -0.318 17892 2506 1 9 . 1 1 3 3 ILE H H 3 9.355 9.355 9.136 0.219 17892 2507 1 9 . 1 1 4 4 ASN N N 4 124.242 124.242 126.186 -1.944 17892 2508 1 9 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.876 0.574 17892 2509 1 9 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.530 -0.790 17892 2510 1 9 . 1 1 4 4 ASN CB C 4 41.558 41.558 38.895 2.663 17892 2511 1 9 . 1 1 4 4 ASN H H 4 8.823 8.823 8.911 -0.088 17892 2512 1 9 . 1 1 5 5 ASN N N 5 121.916 121.916 123.603 -1.687 17892 2513 1 9 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.796 0.584 17892 2514 1 9 . 1 1 5 5 ASN CA C 5 52.021 52.021 53.462 -1.441 17892 2515 1 9 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.242 0.895 17892 2516 1 9 . 1 1 5 5 ASN H H 5 9.356 9.356 9.040 0.316 17892 2517 1 9 . 1 1 6 6 LEU N N 6 120.873 120.873 122.835 -1.962 17892 2518 1 9 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.835 -0.093 17892 2519 1 9 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.350 0.755 17892 2520 1 9 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.614 -0.259 17892 2521 1 9 . 1 1 6 6 LEU H H 6 8.419 8.419 9.191 -0.772 17892 2522 1 9 . 1 1 7 7 LYS N N 7 118.232 118.232 117.120 1.112 17892 2523 1 9 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.045 -0.160 17892 2524 1 9 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.125 1.732 17892 2525 1 9 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.421 1.432 17892 2526 1 9 . 1 1 7 7 LYS H H 7 8.820 8.820 8.267 0.553 17892 2527 1 9 . 1 1 8 8 LEU N N 8 116.679 116.679 120.450 -3.771 17892 2528 1 9 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.052 0.062 17892 2529 1 9 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.215 1.003 17892 2530 1 9 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.878 0.700 17892 2531 1 9 . 1 1 8 8 LEU H H 8 7.443 7.443 7.615 -0.172 17892 2532 1 9 . 1 1 9 9 ILE N N 9 119.043 119.043 118.691 0.352 17892 2533 1 9 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.581 0.198 17892 2534 1 9 . 1 1 9 9 ILE CA C 9 63.406 63.406 64.940 -1.534 17892 2535 1 9 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.604 -0.679 17892 2536 1 9 . 1 1 9 9 ILE H H 9 8.133 8.133 8.642 -0.509 17892 2537 1 9 . 1 1 10 10 ARG N N 10 120.200 120.200 120.601 -0.401 17892 2538 1 9 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.837 0.005 17892 2539 1 9 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.102 1.175 17892 2540 1 9 . 1 1 10 10 ARG CB C 10 29.034 29.034 29.990 -0.956 17892 2541 1 9 . 1 1 10 10 ARG H H 10 9.128 9.128 8.859 0.269 17892 2542 1 9 . 1 1 11 11 GLU N N 11 116.457 116.457 117.862 -1.405 17892 2543 1 9 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.079 0.035 17892 2544 1 9 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.179 0.757 17892 2545 1 9 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.855 0.609 17892 2546 1 9 . 1 1 11 11 GLU H H 11 8.555 8.555 7.875 0.680 17892 2547 1 9 . 1 1 12 12 LYS N N 12 122.500 122.500 119.642 2.858 17892 2548 1 9 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.029 0.134 17892 2549 1 9 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.248 0.718 17892 2550 1 9 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.408 0.140 17892 2551 1 9 . 1 1 12 12 LYS H H 12 8.169 8.169 8.081 0.088 17892 2552 1 9 . 1 1 13 13 LYS N N 13 116.690 116.690 117.645 -0.955 17892 2553 1 9 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.210 0.055 17892 2554 1 9 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.794 -1.174 17892 2555 1 9 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.572 -0.473 17892 2556 1 9 . 1 1 13 13 LYS H H 13 7.748 7.748 7.795 -0.047 17892 2557 1 9 . 1 1 14 14 LYS N N 14 115.251 115.251 113.778 1.473 17892 2558 1 9 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.877 0.037 17892 2559 1 9 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.320 0.147 17892 2560 1 9 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.913 -1.998 17892 2561 1 9 . 1 1 14 14 LYS H H 14 7.978 7.978 8.451 -0.473 17892 2562 1 9 . 1 1 15 15 ILE N N 15 118.640 118.640 118.959 -0.319 17892 2563 1 9 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.173 0.394 17892 2564 1 9 . 1 1 15 15 ILE CA C 15 59.621 59.621 60.206 -0.586 17892 2565 1 9 . 1 1 15 15 ILE CB C 15 41.173 41.173 38.757 2.417 17892 2566 1 9 . 1 1 15 15 ILE H H 15 7.508 7.508 7.406 0.102 17892 2567 1 9 . 1 1 16 16 SER N N 16 124.827 124.827 121.802 3.025 17892 2568 1 9 . 1 1 16 16 SER HA H 16 4.559 4.559 4.573 -0.014 17892 2569 1 9 . 1 1 16 16 SER CA C 16 57.422 57.422 57.352 0.070 17892 2570 1 9 . 1 1 16 16 SER CB C 16 65.249 65.249 65.598 -0.349 17892 2571 1 9 . 1 1 16 16 SER H H 16 9.220 9.220 8.122 1.098 17892 2572 1 9 . 1 1 17 17 GLN N N 17 120.457 120.457 122.854 -2.397 17892 2573 1 9 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.953 -0.202 17892 2574 1 9 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.236 2.041 17892 2575 1 9 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.069 1.532 17892 2576 1 9 . 1 1 17 17 GLN H H 17 9.364 9.364 8.973 0.391 17892 2577 1 9 . 1 1 18 18 SER N N 18 112.796 112.796 115.744 -2.948 17892 2578 1 9 . 1 1 18 18 SER HA H 18 4.739 4.739 4.063 0.676 17892 2579 1 9 . 1 1 18 18 SER CA C 18 63.145 63.145 61.201 1.944 17892 2580 1 9 . 1 1 18 18 SER CB C 18 65.724 65.724 62.450 3.274 17892 2581 1 9 . 1 1 18 18 SER H H 18 8.680 8.680 8.605 0.075 17892 2582 1 9 . 1 1 19 19 GLU N N 19 124.363 124.363 122.590 1.773 17892 2583 1 9 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.093 -0.023 17892 2584 1 9 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.502 0.808 17892 2585 1 9 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.414 0.777 17892 2586 1 9 . 1 1 19 19 GLU H H 19 8.145 8.145 7.648 0.497 17892 2587 1 9 . 1 1 20 20 LEU N N 20 119.741 119.741 121.710 -1.969 17892 2588 1 9 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.920 0.180 17892 2589 1 9 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.801 0.306 17892 2590 1 9 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.589 -0.034 17892 2591 1 9 . 1 1 20 20 LEU H H 20 8.161 8.161 8.293 -0.132 17892 2592 1 9 . 1 1 21 21 ALA N N 21 119.970 119.970 121.367 -1.397 17892 2593 1 9 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.911 -0.222 17892 2594 1 9 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.173 0.647 17892 2595 1 9 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.939 -0.541 17892 2596 1 9 . 1 1 21 21 ALA H H 21 8.436 8.436 8.668 -0.232 17892 2597 1 9 . 1 1 22 22 ALA N N 22 117.873 117.873 121.106 -3.233 17892 2598 1 9 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.987 0.217 17892 2599 1 9 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.670 0.391 17892 2600 1 9 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.443 -0.208 17892 2601 1 9 . 1 1 22 22 ALA H H 22 7.709 7.709 7.438 0.271 17892 2602 1 9 . 1 1 23 23 LEU N N 23 118.771 118.771 118.756 0.015 17892 2603 1 9 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.493 0.422 17892 2604 1 9 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.144 0.506 17892 2605 1 9 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.748 1.185 17892 2606 1 9 . 1 1 23 23 LEU H H 23 7.543 7.543 7.644 -0.101 17892 2607 1 9 . 1 1 24 24 LEU N N 24 114.703 114.703 117.867 -3.164 17892 2608 1 9 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.191 0.071 17892 2609 1 9 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.114 -1.264 17892 2610 1 9 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.988 1.995 17892 2611 1 9 . 1 1 24 24 LEU H H 24 7.430 7.430 8.409 -0.979 17892 2612 1 9 . 1 1 25 25 GLU N N 25 115.450 115.450 113.935 1.515 17892 2613 1 9 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.031 -0.125 17892 2614 1 9 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.186 0.600 17892 2615 1 9 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.542 0.001 17892 2616 1 9 . 1 1 25 25 GLU H H 25 7.987 7.987 8.153 -0.166 17892 2617 1 9 . 1 1 26 26 VAL N N 26 110.029 110.029 113.363 -3.334 17892 2618 1 9 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.824 0.016 17892 2619 1 9 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.440 -0.609 17892 2620 1 9 . 1 1 26 26 VAL CB C 26 35.589 35.589 34.660 0.929 17892 2621 1 9 . 1 1 26 26 VAL H H 26 7.908 7.908 7.963 -0.055 17892 2622 1 9 . 1 1 27 27 SER N N 27 114.372 114.372 115.430 -1.058 17892 2623 1 9 . 1 1 27 27 SER HA H 27 4.761 4.761 4.524 0.237 17892 2624 1 9 . 1 1 27 27 SER CA C 27 56.661 56.661 57.058 -0.397 17892 2625 1 9 . 1 1 27 27 SER CB C 27 62.712 62.712 64.388 -1.676 17892 2626 1 9 . 1 1 27 27 SER H H 27 8.401 8.401 8.346 0.055 17892 2627 1 9 . 1 1 28 28 ARG N N 28 115.199 115.199 122.892 -7.693 17892 2628 1 9 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.017 -0.287 17892 2629 1 9 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.253 0.125 17892 2630 1 9 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.236 -0.636 17892 2631 1 9 . 1 1 28 28 ARG H H 28 8.150 8.150 8.850 -0.700 17892 2632 1 9 . 1 1 29 29 GLN N N 29 117.559 117.559 118.157 -0.598 17892 2633 1 9 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.025 0.087 17892 2634 1 9 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.246 0.389 17892 2635 1 9 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.391 -0.273 17892 2636 1 9 . 1 1 29 29 GLN H H 29 8.674 8.674 8.409 0.265 17892 2637 1 9 . 1 1 30 30 THR N N 30 119.900 119.900 116.709 3.191 17892 2638 1 9 . 1 1 30 30 THR HA H 30 4.373 4.373 4.272 0.101 17892 2639 1 9 . 1 1 30 30 THR CA C 30 68.235 68.235 66.189 2.046 17892 2640 1 9 . 1 1 30 30 THR CB C 30 66.938 66.938 68.391 -1.453 17892 2641 1 9 . 1 1 30 30 THR H H 30 7.995 7.995 7.687 0.308 17892 2642 1 9 . 1 1 31 31 ILE N N 31 119.083 119.083 121.732 -2.649 17892 2643 1 9 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.732 0.012 17892 2644 1 9 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.656 -1.340 17892 2645 1 9 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.502 -0.875 17892 2646 1 9 . 1 1 31 31 ILE H H 31 7.118 7.118 7.427 -0.309 17892 2647 1 9 . 1 1 32 32 ASN N N 32 118.406 118.406 119.442 -1.036 17892 2648 1 9 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.443 -0.117 17892 2649 1 9 . 1 1 32 32 ASN CA C 32 57.617 57.617 56.938 0.679 17892 2650 1 9 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.273 1.223 17892 2651 1 9 . 1 1 32 32 ASN H H 32 8.533 8.533 9.201 -0.668 17892 2652 1 9 . 1 1 33 33 GLY N N 33 125.014 125.014 109.365 15.649 17892 2653 1 9 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.949 0.741 17892 2654 1 9 . 1 1 33 33 GLY H H 33 8.477 8.477 8.716 -0.239 17892 2655 1 9 . 1 1 34 34 ILE N N 34 122.677 122.677 123.299 -0.622 17892 2656 1 9 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.987 0.270 17892 2657 1 9 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.678 0.574 17892 2658 1 9 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.153 0.683 17892 2659 1 9 . 1 1 34 34 ILE H H 34 8.178 8.178 8.074 0.104 17892 2660 1 9 . 1 1 35 35 GLU N N 35 120.928 120.928 120.004 0.924 17892 2661 1 9 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.031 0.132 17892 2662 1 9 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.705 0.625 17892 2663 1 9 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.697 -0.295 17892 2664 1 9 . 1 1 35 35 GLU H H 35 8.537 8.537 8.750 -0.213 17892 2665 1 9 . 1 1 36 36 LYS N N 36 116.174 116.174 117.546 -1.372 17892 2666 1 9 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.184 0.286 17892 2667 1 9 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.853 0.175 17892 2668 1 9 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.741 0.748 17892 2669 1 9 . 1 1 36 36 LYS H H 36 7.978 7.978 8.596 -0.618 17892 2670 1 9 . 1 1 37 37 ASN N N 37 114.939 114.939 113.701 1.238 17892 2671 1 9 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.409 0.259 17892 2672 1 9 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.557 0.495 17892 2673 1 9 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.784 0.745 17892 2674 1 9 . 1 1 37 37 ASN H H 37 8.150 8.150 7.487 0.663 17892 2675 1 9 . 1 1 38 38 LYS N N 38 115.469 115.469 117.038 -1.569 17892 2676 1 9 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.047 0.338 17892 2677 1 9 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.643 -1.883 17892 2678 1 9 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.056 0.537 17892 2679 1 9 . 1 1 38 38 LYS H H 38 8.586 8.586 8.199 0.387 17892 2680 1 9 . 1 1 39 39 TYR N N 39 117.011 117.011 111.951 5.060 17892 2681 1 9 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.712 -0.093 17892 2682 1 9 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.709 0.291 17892 2683 1 9 . 1 1 39 39 TYR CB C 39 40.453 40.453 38.802 1.651 17892 2684 1 9 . 1 1 39 39 TYR H H 39 7.028 7.028 7.055 -0.027 17892 2685 1 9 . 1 1 40 40 ASN N N 40 123.592 123.592 119.037 4.555 17892 2686 1 9 . 1 1 40 40 ASN HA H 40 5.181 5.181 5.008 0.173 17892 2687 1 9 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.505 -0.270 17892 2688 1 9 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.000 0.026 17892 2689 1 9 . 1 1 40 40 ASN H H 40 8.618 8.618 8.571 0.047 17892 2690 1 9 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.526 -0.762 17892 2691 1 9 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.534 0.514 17892 2692 1 9 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.088 0.045 17892 2693 1 9 . 1 1 42 42 SER N N 42 125.240 125.240 114.706 10.534 17892 2694 1 9 . 1 1 42 42 SER HA H 42 4.530 4.530 4.279 0.251 17892 2695 1 9 . 1 1 42 42 SER CA C 42 58.052 58.052 57.663 0.390 17892 2696 1 9 . 1 1 42 42 SER CB C 42 64.643 64.643 64.026 0.617 17892 2697 1 9 . 1 1 42 42 SER H H 42 7.798 7.798 8.078 -0.280 17892 2698 1 9 . 1 1 43 43 LEU N N 43 121.149 121.149 123.353 -2.204 17892 2699 1 9 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.028 -0.163 17892 2700 1 9 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.421 0.430 17892 2701 1 9 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.344 0.062 17892 2702 1 9 . 1 1 43 43 LEU H H 43 9.134 9.134 8.712 0.422 17892 2703 1 9 . 1 1 44 44 GLN N N 44 115.817 115.817 117.979 -2.162 17892 2704 1 9 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.065 -0.373 17892 2705 1 9 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.327 1.318 17892 2706 1 9 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.258 0.542 17892 2707 1 9 . 1 1 44 44 GLN H H 44 8.743 8.743 8.653 0.090 17892 2708 1 9 . 1 1 45 45 LEU N N 45 119.397 119.397 120.437 -1.040 17892 2709 1 9 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.988 -0.100 17892 2710 1 9 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.559 -2.503 17892 2711 1 9 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.563 -0.386 17892 2712 1 9 . 1 1 45 45 LEU H H 45 7.895 7.895 7.765 0.130 17892 2713 1 9 . 1 1 46 46 ALA N N 46 120.694 120.694 122.377 -1.683 17892 2714 1 9 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.878 0.114 17892 2715 1 9 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.318 0.760 17892 2716 1 9 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.136 1.817 17892 2717 1 9 . 1 1 46 46 ALA H H 46 8.437 8.437 8.510 -0.073 17892 2718 1 9 . 1 1 47 47 LEU N N 47 116.298 116.298 118.884 -2.586 17892 2719 1 9 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.894 0.261 17892 2720 1 9 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.097 -0.046 17892 2721 1 9 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.630 0.953 17892 2722 1 9 . 1 1 47 47 LEU H H 47 8.552 8.552 8.500 0.052 17892 2723 1 9 . 1 1 48 48 LYS N N 48 120.836 120.836 119.984 0.852 17892 2724 1 9 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.952 -0.429 17892 2725 1 9 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.270 0.192 17892 2726 1 9 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.557 0.578 17892 2727 1 9 . 1 1 48 48 LYS H H 48 7.863 7.863 8.828 -0.965 17892 2728 1 9 . 1 1 49 49 ILE N N 49 120.259 120.259 120.331 -0.072 17892 2729 1 9 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.878 -0.314 17892 2730 1 9 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.419 2.114 17892 2731 1 9 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.875 0.328 17892 2732 1 9 . 1 1 49 49 ILE H H 49 8.621 8.621 8.641 -0.020 17892 2733 1 9 . 1 1 50 50 ALA N N 50 120.672 120.672 123.751 -3.079 17892 2734 1 9 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.299 -0.280 17892 2735 1 9 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.034 0.973 17892 2736 1 9 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.471 0.084 17892 2737 1 9 . 1 1 50 50 ALA H H 50 8.033 8.033 8.541 -0.508 17892 2738 1 9 . 1 1 51 51 TYR N N 51 117.393 117.393 120.381 -2.988 17892 2739 1 9 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.046 0.260 17892 2740 1 9 . 1 1 51 51 TYR CA C 51 61.927 61.927 61.916 0.011 17892 2741 1 9 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.498 0.275 17892 2742 1 9 . 1 1 51 51 TYR H H 51 8.108 8.108 8.591 -0.483 17892 2743 1 9 . 1 1 52 52 TYR N N 52 118.419 118.419 116.247 2.172 17892 2744 1 9 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.295 -0.005 17892 2745 1 9 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.569 1.596 17892 2746 1 9 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.975 -0.947 17892 2747 1 9 . 1 1 52 52 TYR H H 52 8.891 8.891 8.562 0.329 17892 2748 1 9 . 1 1 53 53 LEU N N 53 115.657 115.657 116.854 -1.197 17892 2749 1 9 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.334 0.136 17892 2750 1 9 . 1 1 53 53 LEU CA C 53 54.620 54.620 55.521 -0.901 17892 2751 1 9 . 1 1 53 53 LEU CB C 53 40.646 40.646 42.056 -1.411 17892 2752 1 9 . 1 1 53 53 LEU H H 53 8.182 8.182 8.740 -0.558 17892 2753 1 9 . 1 1 54 54 ASN N N 54 122.127 122.127 114.440 7.687 17892 2754 1 9 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.388 0.020 17892 2755 1 9 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.718 -0.550 17892 2756 1 9 . 1 1 54 54 ASN CB C 54 38.167 38.167 36.807 1.360 17892 2757 1 9 . 1 1 54 54 ASN H H 54 8.048 8.048 7.983 0.065 17892 2758 1 9 . 1 1 55 55 THR N N 55 115.087 115.087 115.421 -0.334 17892 2759 1 9 . 1 1 55 55 THR HA H 55 4.902 4.902 4.809 0.093 17892 2760 1 9 . 1 1 55 55 THR CA C 55 60.449 60.449 60.399 0.050 17892 2761 1 9 . 1 1 55 55 THR CB C 55 75.269 75.269 70.748 4.521 17892 2762 1 9 . 1 1 55 55 THR H H 55 8.134 8.134 7.700 0.434 17892 2763 1 9 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.516 0.073 17892 2764 1 9 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.806 0.340 17892 2765 1 9 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.413 0.068 17892 2766 1 9 . 1 1 57 57 LEU N N 57 127.729 127.729 126.456 1.273 17892 2767 1 9 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.165 -0.175 17892 2768 1 9 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.747 1.751 17892 2769 1 9 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.255 -0.213 17892 2770 1 9 . 1 1 57 57 LEU H H 57 9.788 9.788 8.603 1.185 17892 2771 1 9 . 1 1 58 58 GLU N N 58 123.764 123.764 117.468 6.296 17892 2772 1 9 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.405 0.429 17892 2773 1 9 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.922 0.116 17892 2774 1 9 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.187 0.421 17892 2775 1 9 . 1 1 58 58 GLU H H 58 9.188 9.188 8.589 0.599 17892 2776 1 9 . 1 1 59 59 ASP N N 59 117.867 117.867 117.777 0.090 17892 2777 1 9 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.487 0.114 17892 2778 1 9 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.287 -0.114 17892 2779 1 9 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.612 -0.071 17892 2780 1 9 . 1 1 59 59 ASP H H 59 7.910 7.910 8.144 -0.234 17892 2781 1 9 . 1 1 60 60 ILE N N 60 119.503 119.503 118.063 1.440 17892 2782 1 9 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.691 -0.180 17892 2783 1 9 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.165 0.182 17892 2784 1 9 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.844 1.122 17892 2785 1 9 . 1 1 60 60 ILE H H 60 8.104 8.104 7.542 0.562 17892 2786 1 9 . 1 1 61 61 PHE N N 61 116.398 116.398 117.504 -1.106 17892 2787 1 9 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.564 -0.104 17892 2788 1 9 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.492 0.516 17892 2789 1 9 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.872 2.959 17892 2790 1 9 . 1 1 61 61 PHE H H 61 8.463 8.463 8.798 -0.335 17892 2791 1 9 . 1 1 62 62 GLN N N 62 117.212 117.212 121.407 -4.195 17892 2792 1 9 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.816 0.185 17892 2793 1 9 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.759 0.820 17892 2794 1 9 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.393 0.985 17892 2795 1 9 . 1 1 62 62 GLN H H 62 8.572 8.572 8.815 -0.243 17892 2796 1 9 . 1 1 63 63 TRP N N 63 125.622 125.622 128.472 -2.850 17892 2797 1 9 . 1 1 63 63 TRP HA H 63 5.176 5.176 5.196 -0.020 17892 2798 1 9 . 1 1 63 63 TRP CA C 63 57.152 57.152 56.823 0.329 17892 2799 1 9 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.048 1.206 17892 2800 1 9 . 1 1 63 63 TRP H H 63 9.278 9.278 8.891 0.387 17892 2801 1 9 . 1 1 64 64 GLN N N 64 126.649 126.649 127.824 -1.175 17892 2802 1 9 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.527 -0.321 17892 2803 1 9 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.343 -0.456 17892 2804 1 9 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.840 1.324 17892 2805 1 9 . 1 1 64 64 GLN H H 64 7.841 7.841 8.121 -0.280 17892 2806 1 9 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.538 1.068 17892 2807 1 9 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.889 -0.787 17892 2808 1 9 . 1 1 65 65 PRO CB C 65 32.050 32.050 30.783 1.267 17892 2809 1 10 . 1 1 2 2 ILE N N 2 123.730 123.730 120.456 3.274 17892 2810 1 10 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.847 0.140 17892 2811 1 10 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.554 -0.224 17892 2812 1 10 . 1 1 2 2 ILE CB C 2 39.577 39.577 38.697 0.880 17892 2813 1 10 . 1 1 2 2 ILE H H 2 8.813 8.813 8.579 0.234 17892 2814 1 10 . 1 1 3 3 ILE N N 3 129.451 129.451 129.079 0.372 17892 2815 1 10 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.184 0.130 17892 2816 1 10 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.633 0.079 17892 2817 1 10 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.459 -0.602 17892 2818 1 10 . 1 1 3 3 ILE H H 3 9.355 9.355 9.260 0.095 17892 2819 1 10 . 1 1 4 4 ASN N N 4 124.242 124.242 126.083 -1.841 17892 2820 1 10 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.072 0.378 17892 2821 1 10 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.108 -0.368 17892 2822 1 10 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.225 2.333 17892 2823 1 10 . 1 1 4 4 ASN H H 4 8.823 8.823 8.891 -0.068 17892 2824 1 10 . 1 1 5 5 ASN N N 5 121.916 121.916 123.975 -2.059 17892 2825 1 10 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.825 0.555 17892 2826 1 10 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.613 -0.592 17892 2827 1 10 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.148 0.989 17892 2828 1 10 . 1 1 5 5 ASN H H 5 9.356 9.356 9.098 0.258 17892 2829 1 10 . 1 1 6 6 LEU N N 6 120.873 120.873 123.108 -2.235 17892 2830 1 10 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.827 -0.085 17892 2831 1 10 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.285 0.820 17892 2832 1 10 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.477 -0.122 17892 2833 1 10 . 1 1 6 6 LEU H H 6 8.419 8.419 9.120 -0.701 17892 2834 1 10 . 1 1 7 7 LYS N N 7 118.232 118.232 118.232 0.000 17892 2835 1 10 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.961 -0.076 17892 2836 1 10 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.260 1.597 17892 2837 1 10 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.878 1.975 17892 2838 1 10 . 1 1 7 7 LYS H H 7 8.820 8.820 8.391 0.429 17892 2839 1 10 . 1 1 8 8 LEU N N 8 116.679 116.679 120.736 -4.057 17892 2840 1 10 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.098 0.016 17892 2841 1 10 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.373 0.845 17892 2842 1 10 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.878 0.700 17892 2843 1 10 . 1 1 8 8 LEU H H 8 7.443 7.443 7.658 -0.215 17892 2844 1 10 . 1 1 9 9 ILE N N 9 119.043 119.043 120.156 -1.113 17892 2845 1 10 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.568 0.211 17892 2846 1 10 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.495 -2.088 17892 2847 1 10 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.533 -0.608 17892 2848 1 10 . 1 1 9 9 ILE H H 9 8.133 8.133 8.670 -0.537 17892 2849 1 10 . 1 1 10 10 ARG N N 10 120.200 120.200 120.398 -0.198 17892 2850 1 10 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.829 0.013 17892 2851 1 10 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.106 1.171 17892 2852 1 10 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.187 -1.153 17892 2853 1 10 . 1 1 10 10 ARG H H 10 9.128 9.128 8.886 0.242 17892 2854 1 10 . 1 1 11 11 GLU N N 11 116.457 116.457 118.068 -1.611 17892 2855 1 10 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.056 0.058 17892 2856 1 10 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.071 0.865 17892 2857 1 10 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.148 0.316 17892 2858 1 10 . 1 1 11 11 GLU H H 11 8.555 8.555 7.815 0.740 17892 2859 1 10 . 1 1 12 12 LYS N N 12 122.500 122.500 118.941 3.559 17892 2860 1 10 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.092 0.071 17892 2861 1 10 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.582 1.384 17892 2862 1 10 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.279 0.269 17892 2863 1 10 . 1 1 12 12 LYS H H 12 8.169 8.169 7.232 0.937 17892 2864 1 10 . 1 1 13 13 LYS N N 13 116.690 116.690 115.688 1.002 17892 2865 1 10 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.277 -0.012 17892 2866 1 10 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.583 0.037 17892 2867 1 10 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.232 -0.133 17892 2868 1 10 . 1 1 13 13 LYS H H 13 7.748 7.748 7.772 -0.024 17892 2869 1 10 . 1 1 14 14 LYS N N 14 115.251 115.251 115.656 -0.405 17892 2870 1 10 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.930 -0.016 17892 2871 1 10 . 1 1 14 14 LYS CA C 14 57.467 57.467 56.876 0.591 17892 2872 1 10 . 1 1 14 14 LYS CB C 14 28.915 28.915 29.876 -0.961 17892 2873 1 10 . 1 1 14 14 LYS H H 14 7.978 7.978 7.725 0.253 17892 2874 1 10 . 1 1 15 15 ILE N N 15 118.640 118.640 119.883 -1.243 17892 2875 1 10 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.396 0.171 17892 2876 1 10 . 1 1 15 15 ILE CA C 15 59.621 59.621 58.943 0.678 17892 2877 1 10 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.878 0.295 17892 2878 1 10 . 1 1 15 15 ILE H H 15 7.508 7.508 7.633 -0.125 17892 2879 1 10 . 1 1 16 16 SER N N 16 124.827 124.827 121.609 3.218 17892 2880 1 10 . 1 1 16 16 SER HA H 16 4.559 4.559 4.582 -0.023 17892 2881 1 10 . 1 1 16 16 SER CA C 16 57.422 57.422 58.758 -1.336 17892 2882 1 10 . 1 1 16 16 SER CB C 16 65.249 65.249 64.030 1.219 17892 2883 1 10 . 1 1 16 16 SER H H 16 9.220 9.220 9.580 -0.360 17892 2884 1 10 . 1 1 17 17 GLN N N 17 120.457 120.457 123.043 -2.586 17892 2885 1 10 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.949 -0.198 17892 2886 1 10 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.366 0.911 17892 2887 1 10 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.623 0.978 17892 2888 1 10 . 1 1 17 17 GLN H H 17 9.364 9.364 9.013 0.351 17892 2889 1 10 . 1 1 18 18 SER N N 18 112.796 112.796 114.728 -1.932 17892 2890 1 10 . 1 1 18 18 SER HA H 18 4.739 4.739 4.066 0.673 17892 2891 1 10 . 1 1 18 18 SER CA C 18 63.145 63.145 61.546 1.599 17892 2892 1 10 . 1 1 18 18 SER CB C 18 65.724 65.724 62.231 3.493 17892 2893 1 10 . 1 1 18 18 SER H H 18 8.680 8.680 8.565 0.115 17892 2894 1 10 . 1 1 19 19 GLU N N 19 124.363 124.363 122.020 2.343 17892 2895 1 10 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.102 -0.032 17892 2896 1 10 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.675 0.635 17892 2897 1 10 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.002 1.189 17892 2898 1 10 . 1 1 19 19 GLU H H 19 8.145 8.145 8.346 -0.201 17892 2899 1 10 . 1 1 20 20 LEU N N 20 119.741 119.741 121.827 -2.086 17892 2900 1 10 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.942 0.158 17892 2901 1 10 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.710 0.397 17892 2902 1 10 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.490 0.065 17892 2903 1 10 . 1 1 20 20 LEU H H 20 8.161 8.161 8.153 0.008 17892 2904 1 10 . 1 1 21 21 ALA N N 21 119.970 119.970 121.346 -1.376 17892 2905 1 10 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.919 -0.230 17892 2906 1 10 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.077 0.743 17892 2907 1 10 . 1 1 21 21 ALA CB C 21 17.398 17.398 18.003 -0.605 17892 2908 1 10 . 1 1 21 21 ALA H H 21 8.436 8.436 8.513 -0.077 17892 2909 1 10 . 1 1 22 22 ALA N N 22 117.873 117.873 121.777 -3.904 17892 2910 1 10 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.989 0.215 17892 2911 1 10 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.727 0.334 17892 2912 1 10 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.420 -0.185 17892 2913 1 10 . 1 1 22 22 ALA H H 22 7.709 7.709 7.990 -0.281 17892 2914 1 10 . 1 1 23 23 LEU N N 23 118.771 118.771 118.088 0.683 17892 2915 1 10 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.556 0.359 17892 2916 1 10 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.902 0.748 17892 2917 1 10 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.041 0.893 17892 2918 1 10 . 1 1 23 23 LEU H H 23 7.543 7.543 7.789 -0.246 17892 2919 1 10 . 1 1 24 24 LEU N N 24 114.703 114.703 114.791 -0.088 17892 2920 1 10 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.264 -0.002 17892 2921 1 10 . 1 1 24 24 LEU CA C 24 55.851 55.851 54.927 0.924 17892 2922 1 10 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.305 2.678 17892 2923 1 10 . 1 1 24 24 LEU H H 24 7.430 7.430 7.628 -0.198 17892 2924 1 10 . 1 1 25 25 GLU N N 25 115.450 115.450 114.663 0.787 17892 2925 1 10 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.020 -0.114 17892 2926 1 10 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.355 0.431 17892 2927 1 10 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.412 0.131 17892 2928 1 10 . 1 1 25 25 GLU H H 25 7.987 7.987 7.434 0.553 17892 2929 1 10 . 1 1 26 26 VAL N N 26 110.029 110.029 111.850 -1.821 17892 2930 1 10 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.599 0.241 17892 2931 1 10 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.112 -0.281 17892 2932 1 10 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.464 0.125 17892 2933 1 10 . 1 1 26 26 VAL H H 26 7.908 7.908 8.022 -0.114 17892 2934 1 10 . 1 1 27 27 SER N N 27 114.372 114.372 116.055 -1.683 17892 2935 1 10 . 1 1 27 27 SER HA H 27 4.761 4.761 4.496 0.265 17892 2936 1 10 . 1 1 27 27 SER CA C 27 56.661 56.661 57.840 -1.179 17892 2937 1 10 . 1 1 27 27 SER CB C 27 62.712 62.712 64.110 -1.398 17892 2938 1 10 . 1 1 27 27 SER H H 27 8.401 8.401 8.560 -0.159 17892 2939 1 10 . 1 1 28 28 ARG N N 28 115.199 115.199 124.151 -8.952 17892 2940 1 10 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.958 -0.228 17892 2941 1 10 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.192 0.186 17892 2942 1 10 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.201 -0.602 17892 2943 1 10 . 1 1 28 28 ARG H H 28 8.150 8.150 8.853 -0.703 17892 2944 1 10 . 1 1 29 29 GLN N N 29 117.559 117.559 116.276 1.283 17892 2945 1 10 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.299 -0.187 17892 2946 1 10 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.101 0.534 17892 2947 1 10 . 1 1 29 29 GLN CB C 29 28.118 28.118 27.172 0.946 17892 2948 1 10 . 1 1 29 29 GLN H H 29 8.674 8.674 8.844 -0.170 17892 2949 1 10 . 1 1 30 30 THR N N 30 119.900 119.900 117.800 2.100 17892 2950 1 10 . 1 1 30 30 THR HA H 30 4.373 4.373 4.277 0.096 17892 2951 1 10 . 1 1 30 30 THR CA C 30 68.235 68.235 65.835 2.400 17892 2952 1 10 . 1 1 30 30 THR CB C 30 66.938 66.938 68.583 -1.645 17892 2953 1 10 . 1 1 30 30 THR H H 30 7.995 7.995 7.700 0.295 17892 2954 1 10 . 1 1 31 31 ILE N N 31 119.083 119.083 123.260 -4.177 17892 2955 1 10 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.798 -0.054 17892 2956 1 10 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.339 -1.023 17892 2957 1 10 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.772 -1.145 17892 2958 1 10 . 1 1 31 31 ILE H H 31 7.118 7.118 7.391 -0.273 17892 2959 1 10 . 1 1 32 32 ASN N N 32 118.406 118.406 119.138 -0.732 17892 2960 1 10 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.319 0.007 17892 2961 1 10 . 1 1 32 32 ASN CA C 32 57.617 57.617 56.407 1.210 17892 2962 1 10 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.220 1.276 17892 2963 1 10 . 1 1 32 32 ASN H H 32 8.533 8.533 8.940 -0.407 17892 2964 1 10 . 1 1 33 33 GLY N N 33 125.014 125.014 108.626 16.388 17892 2965 1 10 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.864 0.826 17892 2966 1 10 . 1 1 33 33 GLY H H 33 8.477 8.477 8.479 -0.002 17892 2967 1 10 . 1 1 34 34 ILE N N 34 122.677 122.677 123.173 -0.496 17892 2968 1 10 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.769 0.488 17892 2969 1 10 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.503 0.749 17892 2970 1 10 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.964 0.872 17892 2971 1 10 . 1 1 34 34 ILE H H 34 8.178 8.178 7.401 0.777 17892 2972 1 10 . 1 1 35 35 GLU N N 35 120.928 120.928 120.510 0.418 17892 2973 1 10 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.968 0.195 17892 2974 1 10 . 1 1 35 35 GLU CA C 35 60.330 60.330 60.011 0.319 17892 2975 1 10 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.411 -0.009 17892 2976 1 10 . 1 1 35 35 GLU H H 35 8.537 8.537 8.761 -0.224 17892 2977 1 10 . 1 1 36 36 LYS N N 36 116.174 116.174 116.387 -0.213 17892 2978 1 10 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.201 0.269 17892 2979 1 10 . 1 1 36 36 LYS CA C 36 56.029 56.029 56.054 -0.025 17892 2980 1 10 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.996 0.493 17892 2981 1 10 . 1 1 36 36 LYS H H 36 7.978 7.978 7.722 0.256 17892 2982 1 10 . 1 1 37 37 ASN N N 37 114.939 114.939 114.696 0.243 17892 2983 1 10 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.396 0.272 17892 2984 1 10 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.577 0.475 17892 2985 1 10 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.278 1.251 17892 2986 1 10 . 1 1 37 37 ASN H H 37 8.150 8.150 8.106 0.044 17892 2987 1 10 . 1 1 38 38 LYS N N 38 115.469 115.469 117.027 -1.558 17892 2988 1 10 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.093 0.292 17892 2989 1 10 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.734 -1.974 17892 2990 1 10 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.224 0.369 17892 2991 1 10 . 1 1 38 38 LYS H H 38 8.586 8.586 8.334 0.252 17892 2992 1 10 . 1 1 39 39 TYR N N 39 117.011 117.011 113.538 3.473 17892 2993 1 10 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.770 -0.151 17892 2994 1 10 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.503 0.497 17892 2995 1 10 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.321 1.132 17892 2996 1 10 . 1 1 39 39 TYR H H 39 7.028 7.028 7.014 0.014 17892 2997 1 10 . 1 1 40 40 ASN N N 40 123.592 123.592 120.294 3.298 17892 2998 1 10 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.965 0.216 17892 2999 1 10 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.897 -0.662 17892 3000 1 10 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.189 -0.163 17892 3001 1 10 . 1 1 40 40 ASN H H 40 8.618 8.618 8.528 0.090 17892 3002 1 10 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.461 -0.697 17892 3003 1 10 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.547 0.501 17892 3004 1 10 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.205 -0.071 17892 3005 1 10 . 1 1 42 42 SER N N 42 125.240 125.240 115.117 10.123 17892 3006 1 10 . 1 1 42 42 SER HA H 42 4.530 4.530 4.250 0.280 17892 3007 1 10 . 1 1 42 42 SER CA C 42 58.052 58.052 57.956 0.096 17892 3008 1 10 . 1 1 42 42 SER CB C 42 64.643 64.643 63.826 0.817 17892 3009 1 10 . 1 1 42 42 SER H H 42 7.798 7.798 8.131 -0.333 17892 3010 1 10 . 1 1 43 43 LEU N N 43 121.149 121.149 123.650 -2.501 17892 3011 1 10 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.034 -0.169 17892 3012 1 10 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.429 0.422 17892 3013 1 10 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.622 -0.216 17892 3014 1 10 . 1 1 43 43 LEU H H 43 9.134 9.134 8.668 0.466 17892 3015 1 10 . 1 1 44 44 GLN N N 44 115.817 115.817 118.799 -2.982 17892 3016 1 10 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.130 -0.438 17892 3017 1 10 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.352 1.293 17892 3018 1 10 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.320 0.479 17892 3019 1 10 . 1 1 44 44 GLN H H 44 8.743 8.743 8.664 0.079 17892 3020 1 10 . 1 1 45 45 LEU N N 45 119.397 119.397 119.079 0.318 17892 3021 1 10 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.932 -0.044 17892 3022 1 10 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.763 -2.707 17892 3023 1 10 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.372 -0.195 17892 3024 1 10 . 1 1 45 45 LEU H H 45 7.895 7.895 8.169 -0.274 17892 3025 1 10 . 1 1 46 46 ALA N N 46 120.694 120.694 122.170 -1.476 17892 3026 1 10 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.968 0.024 17892 3027 1 10 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.248 0.830 17892 3028 1 10 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.143 1.810 17892 3029 1 10 . 1 1 46 46 ALA H H 46 8.437 8.437 8.224 0.213 17892 3030 1 10 . 1 1 47 47 LEU N N 47 116.298 116.298 118.900 -2.602 17892 3031 1 10 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.903 0.252 17892 3032 1 10 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.091 -0.040 17892 3033 1 10 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.659 0.924 17892 3034 1 10 . 1 1 47 47 LEU H H 47 8.552 8.552 8.544 0.008 17892 3035 1 10 . 1 1 48 48 LYS N N 48 120.836 120.836 119.851 0.985 17892 3036 1 10 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.043 -0.520 17892 3037 1 10 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.255 0.207 17892 3038 1 10 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.563 0.572 17892 3039 1 10 . 1 1 48 48 LYS H H 48 7.863 7.863 8.788 -0.925 17892 3040 1 10 . 1 1 49 49 ILE N N 49 120.259 120.259 120.334 -0.075 17892 3041 1 10 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.837 -0.273 17892 3042 1 10 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.804 1.730 17892 3043 1 10 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.907 0.296 17892 3044 1 10 . 1 1 49 49 ILE H H 49 8.621 8.621 8.486 0.135 17892 3045 1 10 . 1 1 50 50 ALA N N 50 120.672 120.672 123.953 -3.281 17892 3046 1 10 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.234 -0.215 17892 3047 1 10 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.133 0.874 17892 3048 1 10 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.361 0.194 17892 3049 1 10 . 1 1 50 50 ALA H H 50 8.033 8.033 8.396 -0.363 17892 3050 1 10 . 1 1 51 51 TYR N N 51 117.393 117.393 119.947 -2.554 17892 3051 1 10 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.078 0.228 17892 3052 1 10 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.043 -0.116 17892 3053 1 10 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.557 0.216 17892 3054 1 10 . 1 1 51 51 TYR H H 51 8.108 8.108 8.454 -0.346 17892 3055 1 10 . 1 1 52 52 TYR N N 52 118.419 118.419 117.473 0.946 17892 3056 1 10 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.349 -0.060 17892 3057 1 10 . 1 1 52 52 TYR CA C 52 63.165 63.165 62.150 1.015 17892 3058 1 10 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.896 -0.868 17892 3059 1 10 . 1 1 52 52 TYR H H 52 8.891 8.891 8.755 0.136 17892 3060 1 10 . 1 1 53 53 LEU N N 53 115.657 115.657 116.525 -0.868 17892 3061 1 10 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.397 0.073 17892 3062 1 10 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.924 -0.304 17892 3063 1 10 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.952 -1.306 17892 3064 1 10 . 1 1 53 53 LEU H H 53 8.182 8.182 8.787 -0.605 17892 3065 1 10 . 1 1 54 54 ASN N N 54 122.127 122.127 114.913 7.214 17892 3066 1 10 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.322 0.086 17892 3067 1 10 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.299 -0.131 17892 3068 1 10 . 1 1 54 54 ASN CB C 54 38.167 38.167 36.885 1.282 17892 3069 1 10 . 1 1 54 54 ASN H H 54 8.048 8.048 8.164 -0.116 17892 3070 1 10 . 1 1 55 55 THR N N 55 115.087 115.087 114.719 0.368 17892 3071 1 10 . 1 1 55 55 THR HA H 55 4.902 4.902 4.693 0.209 17892 3072 1 10 . 1 1 55 55 THR CA C 55 60.449 60.449 60.007 0.442 17892 3073 1 10 . 1 1 55 55 THR CB C 55 75.269 75.269 70.323 4.947 17892 3074 1 10 . 1 1 55 55 THR H H 55 8.134 8.134 7.897 0.237 17892 3075 1 10 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.395 0.194 17892 3076 1 10 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.858 0.287 17892 3077 1 10 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.295 0.186 17892 3078 1 10 . 1 1 57 57 LEU N N 57 127.729 127.729 127.357 0.372 17892 3079 1 10 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.115 -0.125 17892 3080 1 10 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.990 1.508 17892 3081 1 10 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.180 -0.137 17892 3082 1 10 . 1 1 57 57 LEU H H 57 9.788 9.788 8.647 1.141 17892 3083 1 10 . 1 1 58 58 GLU N N 58 123.764 123.764 117.375 6.389 17892 3084 1 10 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.385 0.449 17892 3085 1 10 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.928 0.109 17892 3086 1 10 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.092 0.516 17892 3087 1 10 . 1 1 58 58 GLU H H 58 9.188 9.188 8.590 0.598 17892 3088 1 10 . 1 1 59 59 ASP N N 59 117.867 117.867 117.981 -0.114 17892 3089 1 10 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.493 0.108 17892 3090 1 10 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.205 -0.031 17892 3091 1 10 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.548 -0.007 17892 3092 1 10 . 1 1 59 59 ASP H H 59 7.910 7.910 8.157 -0.247 17892 3093 1 10 . 1 1 60 60 ILE N N 60 119.503 119.503 118.554 0.949 17892 3094 1 10 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.657 -0.146 17892 3095 1 10 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.297 0.050 17892 3096 1 10 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.776 1.190 17892 3097 1 10 . 1 1 60 60 ILE H H 60 8.104 8.104 7.670 0.434 17892 3098 1 10 . 1 1 61 61 PHE N N 61 116.398 116.398 117.734 -1.336 17892 3099 1 10 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.529 -0.069 17892 3100 1 10 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.542 0.466 17892 3101 1 10 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.835 2.996 17892 3102 1 10 . 1 1 61 61 PHE H H 61 8.463 8.463 8.827 -0.364 17892 3103 1 10 . 1 1 62 62 GLN N N 62 117.212 117.212 121.529 -4.317 17892 3104 1 10 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.835 0.166 17892 3105 1 10 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.740 0.839 17892 3106 1 10 . 1 1 62 62 GLN CB C 62 32.378 32.378 30.895 1.483 17892 3107 1 10 . 1 1 62 62 GLN H H 62 8.572 8.572 9.123 -0.551 17892 3108 1 10 . 1 1 63 63 TRP N N 63 125.622 125.622 128.907 -3.285 17892 3109 1 10 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.947 0.229 17892 3110 1 10 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.378 -0.226 17892 3111 1 10 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.208 1.046 17892 3112 1 10 . 1 1 63 63 TRP H H 63 9.278 9.278 8.970 0.308 17892 3113 1 10 . 1 1 64 64 GLN N N 64 126.649 126.649 127.890 -1.241 17892 3114 1 10 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.302 -0.096 17892 3115 1 10 . 1 1 64 64 GLN CA C 64 51.887 51.887 53.044 -1.157 17892 3116 1 10 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.010 1.154 17892 3117 1 10 . 1 1 64 64 GLN H H 64 7.841 7.841 8.633 -0.792 17892 3118 1 10 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.747 0.859 17892 3119 1 10 . 1 1 65 65 PRO CA C 65 62.102 62.102 63.839 -1.737 17892 3120 1 10 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.883 0.167 17892 3121 1 11 . 1 1 2 2 ILE N N 2 123.730 123.730 120.149 3.581 17892 3122 1 11 . 1 1 2 2 ILE HA H 2 4.987 4.987 5.018 -0.031 17892 3123 1 11 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.658 -0.328 17892 3124 1 11 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.275 0.302 17892 3125 1 11 . 1 1 2 2 ILE H H 2 8.813 8.813 8.388 0.425 17892 3126 1 11 . 1 1 3 3 ILE N N 3 129.451 129.451 129.389 0.062 17892 3127 1 11 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.184 0.130 17892 3128 1 11 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.615 0.097 17892 3129 1 11 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.124 -0.267 17892 3130 1 11 . 1 1 3 3 ILE H H 3 9.355 9.355 9.399 -0.044 17892 3131 1 11 . 1 1 4 4 ASN N N 4 124.242 124.242 126.279 -2.037 17892 3132 1 11 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.024 0.426 17892 3133 1 11 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.109 -0.369 17892 3134 1 11 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.262 2.296 17892 3135 1 11 . 1 1 4 4 ASN H H 4 8.823 8.823 8.874 -0.051 17892 3136 1 11 . 1 1 5 5 ASN N N 5 121.916 121.916 124.001 -2.085 17892 3137 1 11 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.812 0.568 17892 3138 1 11 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.849 -0.828 17892 3139 1 11 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.235 0.902 17892 3140 1 11 . 1 1 5 5 ASN H H 5 9.356 9.356 9.106 0.250 17892 3141 1 11 . 1 1 6 6 LEU N N 6 120.873 120.873 123.011 -2.138 17892 3142 1 11 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.810 -0.068 17892 3143 1 11 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.250 0.855 17892 3144 1 11 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.447 -0.092 17892 3145 1 11 . 1 1 6 6 LEU H H 6 8.419 8.419 9.134 -0.715 17892 3146 1 11 . 1 1 7 7 LYS N N 7 118.232 118.232 117.984 0.248 17892 3147 1 11 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.236 -0.351 17892 3148 1 11 . 1 1 7 7 LYS CA C 7 60.857 60.857 58.903 1.954 17892 3149 1 11 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.706 2.147 17892 3150 1 11 . 1 1 7 7 LYS H H 7 8.820 8.820 8.458 0.362 17892 3151 1 11 . 1 1 8 8 LEU N N 8 116.679 116.679 120.888 -4.209 17892 3152 1 11 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.073 0.041 17892 3153 1 11 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.385 0.833 17892 3154 1 11 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.869 0.709 17892 3155 1 11 . 1 1 8 8 LEU H H 8 7.443 7.443 7.598 -0.155 17892 3156 1 11 . 1 1 9 9 ILE N N 9 119.043 119.043 119.151 -0.108 17892 3157 1 11 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.552 0.227 17892 3158 1 11 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.472 -2.066 17892 3159 1 11 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.550 -0.625 17892 3160 1 11 . 1 1 9 9 ILE H H 9 8.133 8.133 8.583 -0.450 17892 3161 1 11 . 1 1 10 10 ARG N N 10 120.200 120.200 120.508 -0.308 17892 3162 1 11 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.886 -0.044 17892 3163 1 11 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.108 1.169 17892 3164 1 11 . 1 1 10 10 ARG CB C 10 29.034 29.034 29.972 -0.938 17892 3165 1 11 . 1 1 10 10 ARG H H 10 9.128 9.128 9.000 0.128 17892 3166 1 11 . 1 1 11 11 GLU N N 11 116.457 116.457 117.942 -1.485 17892 3167 1 11 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.053 0.061 17892 3168 1 11 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.916 1.020 17892 3169 1 11 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.108 0.356 17892 3170 1 11 . 1 1 11 11 GLU H H 11 8.555 8.555 8.060 0.495 17892 3171 1 11 . 1 1 12 12 LYS N N 12 122.500 122.500 119.062 3.438 17892 3172 1 11 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.081 0.082 17892 3173 1 11 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.679 1.287 17892 3174 1 11 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.650 -0.102 17892 3175 1 11 . 1 1 12 12 LYS H H 12 8.169 8.169 7.645 0.524 17892 3176 1 11 . 1 1 13 13 LYS N N 13 116.690 116.690 117.413 -0.723 17892 3177 1 11 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.208 0.057 17892 3178 1 11 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.842 -1.222 17892 3179 1 11 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.727 -0.628 17892 3180 1 11 . 1 1 13 13 LYS H H 13 7.748 7.748 8.297 -0.549 17892 3181 1 11 . 1 1 14 14 LYS N N 14 115.251 115.251 113.310 1.941 17892 3182 1 11 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.886 0.028 17892 3183 1 11 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.083 0.384 17892 3184 1 11 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.230 -1.315 17892 3185 1 11 . 1 1 14 14 LYS H H 14 7.978 7.978 8.298 -0.320 17892 3186 1 11 . 1 1 15 15 ILE N N 15 118.640 118.640 120.579 -1.939 17892 3187 1 11 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.474 0.093 17892 3188 1 11 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.167 0.454 17892 3189 1 11 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.392 0.781 17892 3190 1 11 . 1 1 15 15 ILE H H 15 7.508 7.508 7.527 -0.019 17892 3191 1 11 . 1 1 16 16 SER N N 16 124.827 124.827 122.939 1.888 17892 3192 1 11 . 1 1 16 16 SER HA H 16 4.559 4.559 4.598 -0.039 17892 3193 1 11 . 1 1 16 16 SER CA C 16 57.422 57.422 59.403 -1.980 17892 3194 1 11 . 1 1 16 16 SER CB C 16 65.249 65.249 64.044 1.205 17892 3195 1 11 . 1 1 16 16 SER H H 16 9.220 9.220 9.471 -0.251 17892 3196 1 11 . 1 1 17 17 GLN N N 17 120.457 120.457 126.319 -5.862 17892 3197 1 11 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.948 -0.197 17892 3198 1 11 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.517 1.760 17892 3199 1 11 . 1 1 17 17 GLN CB C 17 29.601 29.601 27.852 1.749 17892 3200 1 11 . 1 1 17 17 GLN H H 17 9.364 9.364 9.034 0.330 17892 3201 1 11 . 1 1 18 18 SER N N 18 112.796 112.796 115.740 -2.944 17892 3202 1 11 . 1 1 18 18 SER HA H 18 4.739 4.739 4.051 0.688 17892 3203 1 11 . 1 1 18 18 SER CA C 18 63.145 63.145 61.857 1.288 17892 3204 1 11 . 1 1 18 18 SER CB C 18 65.724 65.724 62.532 3.192 17892 3205 1 11 . 1 1 18 18 SER H H 18 8.680 8.680 8.703 -0.023 17892 3206 1 11 . 1 1 19 19 GLU N N 19 124.363 124.363 122.360 2.003 17892 3207 1 11 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.117 -0.047 17892 3208 1 11 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.639 0.671 17892 3209 1 11 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.138 1.053 17892 3210 1 11 . 1 1 19 19 GLU H H 19 8.145 8.145 7.353 0.792 17892 3211 1 11 . 1 1 20 20 LEU N N 20 119.741 119.741 122.129 -2.388 17892 3212 1 11 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.911 0.189 17892 3213 1 11 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.875 0.232 17892 3214 1 11 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.460 0.095 17892 3215 1 11 . 1 1 20 20 LEU H H 20 8.161 8.161 8.562 -0.401 17892 3216 1 11 . 1 1 21 21 ALA N N 21 119.970 119.970 121.774 -1.804 17892 3217 1 11 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.926 -0.237 17892 3218 1 11 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.286 0.534 17892 3219 1 11 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.898 -0.500 17892 3220 1 11 . 1 1 21 21 ALA H H 21 8.436 8.436 8.985 -0.549 17892 3221 1 11 . 1 1 22 22 ALA N N 22 117.873 117.873 121.631 -3.758 17892 3222 1 11 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.010 0.194 17892 3223 1 11 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.632 0.429 17892 3224 1 11 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.498 -0.263 17892 3225 1 11 . 1 1 22 22 ALA H H 22 7.709 7.709 7.734 -0.025 17892 3226 1 11 . 1 1 23 23 LEU N N 23 118.771 118.771 118.489 0.282 17892 3227 1 11 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.501 0.414 17892 3228 1 11 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.783 0.867 17892 3229 1 11 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.484 0.450 17892 3230 1 11 . 1 1 23 23 LEU H H 23 7.543 7.543 8.110 -0.567 17892 3231 1 11 . 1 1 24 24 LEU N N 24 114.703 114.703 115.590 -0.887 17892 3232 1 11 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.206 0.056 17892 3233 1 11 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.487 -0.636 17892 3234 1 11 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.446 1.537 17892 3235 1 11 . 1 1 24 24 LEU H H 24 7.430 7.430 8.361 -0.931 17892 3236 1 11 . 1 1 25 25 GLU N N 25 115.450 115.450 114.938 0.512 17892 3237 1 11 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.995 -0.089 17892 3238 1 11 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.164 0.622 17892 3239 1 11 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.770 -0.227 17892 3240 1 11 . 1 1 25 25 GLU H H 25 7.987 7.987 8.302 -0.315 17892 3241 1 11 . 1 1 26 26 VAL N N 26 110.029 110.029 112.744 -2.715 17892 3242 1 11 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.855 -0.015 17892 3243 1 11 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.730 -0.899 17892 3244 1 11 . 1 1 26 26 VAL CB C 26 35.589 35.589 34.928 0.661 17892 3245 1 11 . 1 1 26 26 VAL H H 26 7.908 7.908 8.131 -0.223 17892 3246 1 11 . 1 1 27 27 SER N N 27 114.372 114.372 115.075 -0.703 17892 3247 1 11 . 1 1 27 27 SER HA H 27 4.761 4.761 4.594 0.167 17892 3248 1 11 . 1 1 27 27 SER CA C 27 56.661 56.661 57.901 -1.240 17892 3249 1 11 . 1 1 27 27 SER CB C 27 62.712 62.712 64.805 -2.093 17892 3250 1 11 . 1 1 27 27 SER H H 27 8.401 8.401 8.397 0.004 17892 3251 1 11 . 1 1 28 28 ARG N N 28 115.199 115.199 122.417 -7.218 17892 3252 1 11 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.025 -0.295 17892 3253 1 11 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.520 -0.143 17892 3254 1 11 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.838 -0.238 17892 3255 1 11 . 1 1 28 28 ARG H H 28 8.150 8.150 9.088 -0.938 17892 3256 1 11 . 1 1 29 29 GLN N N 29 117.559 117.559 117.824 -0.265 17892 3257 1 11 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.121 -0.009 17892 3258 1 11 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.525 0.110 17892 3259 1 11 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.244 -0.126 17892 3260 1 11 . 1 1 29 29 GLN H H 29 8.674 8.674 8.907 -0.233 17892 3261 1 11 . 1 1 30 30 THR N N 30 119.900 119.900 117.286 2.614 17892 3262 1 11 . 1 1 30 30 THR HA H 30 4.373 4.373 4.337 0.036 17892 3263 1 11 . 1 1 30 30 THR CA C 30 68.235 68.235 65.994 2.241 17892 3264 1 11 . 1 1 30 30 THR CB C 30 66.938 66.938 68.799 -1.861 17892 3265 1 11 . 1 1 30 30 THR H H 30 7.995 7.995 7.953 0.042 17892 3266 1 11 . 1 1 31 31 ILE N N 31 119.083 119.083 122.234 -3.151 17892 3267 1 11 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.740 0.004 17892 3268 1 11 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.493 -1.177 17892 3269 1 11 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.582 -0.955 17892 3270 1 11 . 1 1 31 31 ILE H H 31 7.118 7.118 7.801 -0.683 17892 3271 1 11 . 1 1 32 32 ASN N N 32 118.406 118.406 119.353 -0.947 17892 3272 1 11 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.417 -0.091 17892 3273 1 11 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.337 0.280 17892 3274 1 11 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.446 1.050 17892 3275 1 11 . 1 1 32 32 ASN H H 32 8.533 8.533 9.192 -0.659 17892 3276 1 11 . 1 1 33 33 GLY N N 33 125.014 125.014 108.971 16.043 17892 3277 1 11 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.733 0.957 17892 3278 1 11 . 1 1 33 33 GLY H H 33 8.477 8.477 8.609 -0.132 17892 3279 1 11 . 1 1 34 34 ILE N N 34 122.677 122.677 123.432 -0.755 17892 3280 1 11 . 1 1 34 34 ILE HA H 34 4.257 4.257 4.064 0.193 17892 3281 1 11 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.651 0.601 17892 3282 1 11 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.108 0.728 17892 3283 1 11 . 1 1 34 34 ILE H H 34 8.178 8.178 7.889 0.289 17892 3284 1 11 . 1 1 35 35 GLU N N 35 120.928 120.928 119.492 1.436 17892 3285 1 11 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.995 0.168 17892 3286 1 11 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.828 0.502 17892 3287 1 11 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.642 -0.239 17892 3288 1 11 . 1 1 35 35 GLU H H 35 8.537 8.537 8.770 -0.233 17892 3289 1 11 . 1 1 36 36 LYS N N 36 116.174 116.174 116.311 -0.137 17892 3290 1 11 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.201 0.269 17892 3291 1 11 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.913 0.116 17892 3292 1 11 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.027 0.462 17892 3293 1 11 . 1 1 36 36 LYS H H 36 7.978 7.978 8.265 -0.287 17892 3294 1 11 . 1 1 37 37 ASN N N 37 114.939 114.939 114.770 0.169 17892 3295 1 11 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.334 0.334 17892 3296 1 11 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.593 0.459 17892 3297 1 11 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.794 0.735 17892 3298 1 11 . 1 1 37 37 ASN H H 37 8.150 8.150 7.758 0.392 17892 3299 1 11 . 1 1 38 38 LYS N N 38 115.469 115.469 117.030 -1.561 17892 3300 1 11 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.090 0.295 17892 3301 1 11 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.551 -1.791 17892 3302 1 11 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.161 0.432 17892 3303 1 11 . 1 1 38 38 LYS H H 38 8.586 8.586 8.229 0.357 17892 3304 1 11 . 1 1 39 39 TYR N N 39 117.011 117.011 111.877 5.134 17892 3305 1 11 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.715 -0.096 17892 3306 1 11 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.781 0.219 17892 3307 1 11 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.036 1.417 17892 3308 1 11 . 1 1 39 39 TYR H H 39 7.028 7.028 7.099 -0.071 17892 3309 1 11 . 1 1 40 40 ASN N N 40 123.592 123.592 119.272 4.320 17892 3310 1 11 . 1 1 40 40 ASN HA H 40 5.181 5.181 5.159 0.022 17892 3311 1 11 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.255 -0.020 17892 3312 1 11 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.603 -0.577 17892 3313 1 11 . 1 1 40 40 ASN H H 40 8.618 8.618 8.582 0.036 17892 3314 1 11 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.558 -0.794 17892 3315 1 11 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.516 0.532 17892 3316 1 11 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.260 -0.127 17892 3317 1 11 . 1 1 42 42 SER N N 42 125.240 125.240 114.926 10.314 17892 3318 1 11 . 1 1 42 42 SER HA H 42 4.530 4.530 4.265 0.265 17892 3319 1 11 . 1 1 42 42 SER CA C 42 58.052 58.052 57.648 0.404 17892 3320 1 11 . 1 1 42 42 SER CB C 42 64.643 64.643 63.968 0.675 17892 3321 1 11 . 1 1 42 42 SER H H 42 7.798 7.798 8.066 -0.268 17892 3322 1 11 . 1 1 43 43 LEU N N 43 121.149 121.149 123.122 -1.973 17892 3323 1 11 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.009 -0.144 17892 3324 1 11 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.404 0.447 17892 3325 1 11 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.307 0.099 17892 3326 1 11 . 1 1 43 43 LEU H H 43 9.134 9.134 8.682 0.452 17892 3327 1 11 . 1 1 44 44 GLN N N 44 115.817 115.817 117.949 -2.132 17892 3328 1 11 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.060 -0.368 17892 3329 1 11 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.319 1.326 17892 3330 1 11 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.272 0.528 17892 3331 1 11 . 1 1 44 44 GLN H H 44 8.743 8.743 8.617 0.126 17892 3332 1 11 . 1 1 45 45 LEU N N 45 119.397 119.397 120.111 -0.714 17892 3333 1 11 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.991 -0.103 17892 3334 1 11 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.617 -2.561 17892 3335 1 11 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.653 -0.476 17892 3336 1 11 . 1 1 45 45 LEU H H 45 7.895 7.895 7.676 0.219 17892 3337 1 11 . 1 1 46 46 ALA N N 46 120.694 120.694 122.308 -1.614 17892 3338 1 11 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.807 0.185 17892 3339 1 11 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.170 0.908 17892 3340 1 11 . 1 1 46 46 ALA CB C 46 19.953 19.953 17.886 2.067 17892 3341 1 11 . 1 1 46 46 ALA H H 46 8.437 8.437 8.585 -0.148 17892 3342 1 11 . 1 1 47 47 LEU N N 47 116.298 116.298 118.818 -2.520 17892 3343 1 11 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.887 0.268 17892 3344 1 11 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.039 0.012 17892 3345 1 11 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.603 0.980 17892 3346 1 11 . 1 1 47 47 LEU H H 47 8.552 8.552 8.508 0.044 17892 3347 1 11 . 1 1 48 48 LYS N N 48 120.836 120.836 119.943 0.893 17892 3348 1 11 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.030 -0.507 17892 3349 1 11 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.196 0.266 17892 3350 1 11 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.472 0.663 17892 3351 1 11 . 1 1 48 48 LYS H H 48 7.863 7.863 8.497 -0.634 17892 3352 1 11 . 1 1 49 49 ILE N N 49 120.259 120.259 120.177 0.082 17892 3353 1 11 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.844 -0.280 17892 3354 1 11 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.311 2.223 17892 3355 1 11 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.841 0.362 17892 3356 1 11 . 1 1 49 49 ILE H H 49 8.621 8.621 8.320 0.301 17892 3357 1 11 . 1 1 50 50 ALA N N 50 120.672 120.672 123.890 -3.218 17892 3358 1 11 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.299 -0.280 17892 3359 1 11 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.085 0.922 17892 3360 1 11 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.444 0.111 17892 3361 1 11 . 1 1 50 50 ALA H H 50 8.033 8.033 8.426 -0.393 17892 3362 1 11 . 1 1 51 51 TYR N N 51 117.393 117.393 120.212 -2.819 17892 3363 1 11 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.054 0.252 17892 3364 1 11 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.176 -0.249 17892 3365 1 11 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.552 0.221 17892 3366 1 11 . 1 1 51 51 TYR H H 51 8.108 8.108 8.702 -0.594 17892 3367 1 11 . 1 1 52 52 TYR N N 52 118.419 118.419 118.108 0.311 17892 3368 1 11 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.256 0.034 17892 3369 1 11 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.801 1.364 17892 3370 1 11 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.930 -0.902 17892 3371 1 11 . 1 1 52 52 TYR H H 52 8.891 8.891 8.707 0.184 17892 3372 1 11 . 1 1 53 53 LEU N N 53 115.657 115.657 116.755 -1.098 17892 3373 1 11 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.386 0.084 17892 3374 1 11 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.845 -0.225 17892 3375 1 11 . 1 1 53 53 LEU CB C 53 40.646 40.646 42.099 -1.453 17892 3376 1 11 . 1 1 53 53 LEU H H 53 8.182 8.182 8.695 -0.513 17892 3377 1 11 . 1 1 54 54 ASN N N 54 122.127 122.127 117.517 4.610 17892 3378 1 11 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.321 0.087 17892 3379 1 11 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.228 -0.060 17892 3380 1 11 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.319 0.848 17892 3381 1 11 . 1 1 54 54 ASN H H 54 8.048 8.048 7.886 0.162 17892 3382 1 11 . 1 1 55 55 THR N N 55 115.087 115.087 115.910 -0.823 17892 3383 1 11 . 1 1 55 55 THR HA H 55 4.902 4.902 4.747 0.155 17892 3384 1 11 . 1 1 55 55 THR CA C 55 60.449 60.449 60.279 0.170 17892 3385 1 11 . 1 1 55 55 THR CB C 55 75.269 75.269 71.034 4.234 17892 3386 1 11 . 1 1 55 55 THR H H 55 8.134 8.134 7.878 0.256 17892 3387 1 11 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.531 0.058 17892 3388 1 11 . 1 1 56 56 PRO CA C 56 63.145 63.145 63.196 -0.051 17892 3389 1 11 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.587 -0.106 17892 3390 1 11 . 1 1 57 57 LEU N N 57 127.729 127.729 127.269 0.460 17892 3391 1 11 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.173 -0.183 17892 3392 1 11 . 1 1 57 57 LEU CA C 57 60.498 60.498 59.006 1.492 17892 3393 1 11 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.208 -0.165 17892 3394 1 11 . 1 1 57 57 LEU H H 57 9.788 9.788 8.639 1.149 17892 3395 1 11 . 1 1 58 58 GLU N N 58 123.764 123.764 117.541 6.223 17892 3396 1 11 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.419 0.415 17892 3397 1 11 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.957 0.081 17892 3398 1 11 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.222 0.386 17892 3399 1 11 . 1 1 58 58 GLU H H 58 9.188 9.188 8.579 0.609 17892 3400 1 11 . 1 1 59 59 ASP N N 59 117.867 117.867 117.716 0.151 17892 3401 1 11 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.501 0.100 17892 3402 1 11 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.270 -0.097 17892 3403 1 11 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.636 -0.095 17892 3404 1 11 . 1 1 59 59 ASP H H 59 7.910 7.910 8.156 -0.246 17892 3405 1 11 . 1 1 60 60 ILE N N 60 119.503 119.503 118.255 1.248 17892 3406 1 11 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.712 -0.201 17892 3407 1 11 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.277 0.070 17892 3408 1 11 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.877 1.089 17892 3409 1 11 . 1 1 60 60 ILE H H 60 8.104 8.104 7.555 0.549 17892 3410 1 11 . 1 1 61 61 PHE N N 61 116.398 116.398 117.776 -1.378 17892 3411 1 11 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.439 0.021 17892 3412 1 11 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.744 0.264 17892 3413 1 11 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.656 3.175 17892 3414 1 11 . 1 1 61 61 PHE H H 61 8.463 8.463 8.812 -0.349 17892 3415 1 11 . 1 1 62 62 GLN N N 62 117.212 117.212 121.282 -4.070 17892 3416 1 11 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.870 0.131 17892 3417 1 11 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.791 0.788 17892 3418 1 11 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.288 1.090 17892 3419 1 11 . 1 1 62 62 GLN H H 62 8.572 8.572 9.155 -0.583 17892 3420 1 11 . 1 1 63 63 TRP N N 63 125.622 125.622 127.681 -2.059 17892 3421 1 11 . 1 1 63 63 TRP HA H 63 5.176 5.176 5.265 -0.089 17892 3422 1 11 . 1 1 63 63 TRP CA C 63 57.152 57.152 56.695 0.457 17892 3423 1 11 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.918 0.336 17892 3424 1 11 . 1 1 63 63 TRP H H 63 9.278 9.278 8.863 0.415 17892 3425 1 11 . 1 1 64 64 GLN N N 64 126.649 126.649 127.067 -0.418 17892 3426 1 11 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.428 -0.222 17892 3427 1 11 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.437 -0.550 17892 3428 1 11 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.706 0.458 17892 3429 1 11 . 1 1 64 64 GLN H H 64 7.841 7.841 8.464 -0.623 17892 3430 1 11 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.587 1.019 17892 3431 1 11 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.321 -0.219 17892 3432 1 11 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.181 -0.131 17892 3433 1 12 . 1 1 2 2 ILE N N 2 123.730 123.730 122.768 0.962 17892 3434 1 12 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.937 0.050 17892 3435 1 12 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.276 0.055 17892 3436 1 12 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.069 0.508 17892 3437 1 12 . 1 1 2 2 ILE H H 2 8.813 8.813 7.744 1.069 17892 3438 1 12 . 1 1 3 3 ILE N N 3 129.451 129.451 129.287 0.164 17892 3439 1 12 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.159 0.155 17892 3440 1 12 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.663 0.049 17892 3441 1 12 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.084 -0.227 17892 3442 1 12 . 1 1 3 3 ILE H H 3 9.355 9.355 9.225 0.130 17892 3443 1 12 . 1 1 4 4 ASN N N 4 124.242 124.242 126.384 -2.142 17892 3444 1 12 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.905 0.545 17892 3445 1 12 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.279 -0.539 17892 3446 1 12 . 1 1 4 4 ASN CB C 4 41.558 41.558 38.837 2.721 17892 3447 1 12 . 1 1 4 4 ASN H H 4 8.823 8.823 8.893 -0.070 17892 3448 1 12 . 1 1 5 5 ASN N N 5 121.916 121.916 123.641 -1.725 17892 3449 1 12 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.777 0.603 17892 3450 1 12 . 1 1 5 5 ASN CA C 5 52.021 52.021 53.318 -1.297 17892 3451 1 12 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.965 1.172 17892 3452 1 12 . 1 1 5 5 ASN H H 5 9.356 9.356 9.080 0.276 17892 3453 1 12 . 1 1 6 6 LEU N N 6 120.873 120.873 123.186 -2.313 17892 3454 1 12 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.836 -0.094 17892 3455 1 12 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.319 0.786 17892 3456 1 12 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.551 -0.196 17892 3457 1 12 . 1 1 6 6 LEU H H 6 8.419 8.419 9.102 -0.683 17892 3458 1 12 . 1 1 7 7 LYS N N 7 118.232 118.232 117.924 0.308 17892 3459 1 12 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.259 -0.374 17892 3460 1 12 . 1 1 7 7 LYS CA C 7 60.857 60.857 58.933 1.924 17892 3461 1 12 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.101 1.752 17892 3462 1 12 . 1 1 7 7 LYS H H 7 8.820 8.820 8.379 0.441 17892 3463 1 12 . 1 1 8 8 LEU N N 8 116.679 116.679 120.780 -4.101 17892 3464 1 12 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.095 0.019 17892 3465 1 12 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.390 0.828 17892 3466 1 12 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.898 0.680 17892 3467 1 12 . 1 1 8 8 LEU H H 8 7.443 7.443 7.601 -0.158 17892 3468 1 12 . 1 1 9 9 ILE N N 9 119.043 119.043 120.190 -1.147 17892 3469 1 12 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.576 0.203 17892 3470 1 12 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.458 -2.052 17892 3471 1 12 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.530 -0.605 17892 3472 1 12 . 1 1 9 9 ILE H H 9 8.133 8.133 8.815 -0.682 17892 3473 1 12 . 1 1 10 10 ARG N N 10 120.200 120.200 120.369 -0.169 17892 3474 1 12 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.817 0.025 17892 3475 1 12 . 1 1 10 10 ARG CA C 10 61.277 61.277 59.887 1.390 17892 3476 1 12 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.174 -1.140 17892 3477 1 12 . 1 1 10 10 ARG H H 10 9.128 9.128 8.862 0.266 17892 3478 1 12 . 1 1 11 11 GLU N N 11 116.457 116.457 117.551 -1.094 17892 3479 1 12 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.017 0.097 17892 3480 1 12 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.177 0.759 17892 3481 1 12 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.123 0.341 17892 3482 1 12 . 1 1 11 11 GLU H H 11 8.555 8.555 7.782 0.773 17892 3483 1 12 . 1 1 12 12 LYS N N 12 122.500 122.500 118.748 3.752 17892 3484 1 12 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.095 0.068 17892 3485 1 12 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.523 1.443 17892 3486 1 12 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.359 0.189 17892 3487 1 12 . 1 1 12 12 LYS H H 12 8.169 8.169 7.296 0.873 17892 3488 1 12 . 1 1 13 13 LYS N N 13 116.690 116.690 115.183 1.507 17892 3489 1 12 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.234 0.031 17892 3490 1 12 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.569 0.050 17892 3491 1 12 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.080 0.020 17892 3492 1 12 . 1 1 13 13 LYS H H 13 7.748 7.748 7.834 -0.086 17892 3493 1 12 . 1 1 14 14 LYS N N 14 115.251 115.251 113.587 1.664 17892 3494 1 12 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.853 0.061 17892 3495 1 12 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.560 -0.093 17892 3496 1 12 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.205 -1.290 17892 3497 1 12 . 1 1 14 14 LYS H H 14 7.978 7.978 7.577 0.401 17892 3498 1 12 . 1 1 15 15 ILE N N 15 118.640 118.640 120.759 -2.119 17892 3499 1 12 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.159 0.408 17892 3500 1 12 . 1 1 15 15 ILE CA C 15 59.621 59.621 61.158 -1.537 17892 3501 1 12 . 1 1 15 15 ILE CB C 15 41.173 41.173 39.405 1.768 17892 3502 1 12 . 1 1 15 15 ILE H H 15 7.508 7.508 7.411 0.097 17892 3503 1 12 . 1 1 16 16 SER N N 16 124.827 124.827 123.453 1.374 17892 3504 1 12 . 1 1 16 16 SER HA H 16 4.559 4.559 4.654 -0.095 17892 3505 1 12 . 1 1 16 16 SER CA C 16 57.422 57.422 58.173 -0.751 17892 3506 1 12 . 1 1 16 16 SER CB C 16 65.249 65.249 64.140 1.109 17892 3507 1 12 . 1 1 16 16 SER H H 16 9.220 9.220 9.564 -0.344 17892 3508 1 12 . 1 1 17 17 GLN N N 17 120.457 120.457 124.490 -4.033 17892 3509 1 12 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.897 -0.146 17892 3510 1 12 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.368 1.909 17892 3511 1 12 . 1 1 17 17 GLN CB C 17 29.601 29.601 27.699 1.902 17892 3512 1 12 . 1 1 17 17 GLN H H 17 9.364 9.364 9.018 0.346 17892 3513 1 12 . 1 1 18 18 SER N N 18 112.796 112.796 116.170 -3.374 17892 3514 1 12 . 1 1 18 18 SER HA H 18 4.739 4.739 4.056 0.683 17892 3515 1 12 . 1 1 18 18 SER CA C 18 63.145 63.145 61.738 1.407 17892 3516 1 12 . 1 1 18 18 SER CB C 18 65.724 65.724 62.624 3.100 17892 3517 1 12 . 1 1 18 18 SER H H 18 8.680 8.680 8.577 0.103 17892 3518 1 12 . 1 1 19 19 GLU N N 19 124.363 124.363 121.381 2.982 17892 3519 1 12 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.088 -0.018 17892 3520 1 12 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.533 0.777 17892 3521 1 12 . 1 1 19 19 GLU CB C 19 30.191 30.191 28.918 1.273 17892 3522 1 12 . 1 1 19 19 GLU H H 19 8.145 8.145 7.716 0.429 17892 3523 1 12 . 1 1 20 20 LEU N N 20 119.741 119.741 122.200 -2.459 17892 3524 1 12 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.955 0.145 17892 3525 1 12 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.826 0.281 17892 3526 1 12 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.377 0.179 17892 3527 1 12 . 1 1 20 20 LEU H H 20 8.161 8.161 7.766 0.395 17892 3528 1 12 . 1 1 21 21 ALA N N 21 119.970 119.970 121.674 -1.704 17892 3529 1 12 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.900 -0.211 17892 3530 1 12 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.284 0.536 17892 3531 1 12 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.871 -0.473 17892 3532 1 12 . 1 1 21 21 ALA H H 21 8.436 8.436 8.600 -0.164 17892 3533 1 12 . 1 1 22 22 ALA N N 22 117.873 117.873 121.073 -3.200 17892 3534 1 12 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.012 0.192 17892 3535 1 12 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.516 0.545 17892 3536 1 12 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.519 -0.284 17892 3537 1 12 . 1 1 22 22 ALA H H 22 7.709 7.709 7.484 0.225 17892 3538 1 12 . 1 1 23 23 LEU N N 23 118.771 118.771 118.462 0.309 17892 3539 1 12 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.463 0.452 17892 3540 1 12 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.995 0.655 17892 3541 1 12 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.534 0.400 17892 3542 1 12 . 1 1 23 23 LEU H H 23 7.543 7.543 8.096 -0.553 17892 3543 1 12 . 1 1 24 24 LEU N N 24 114.703 114.703 116.772 -2.069 17892 3544 1 12 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.150 0.112 17892 3545 1 12 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.779 -0.928 17892 3546 1 12 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.105 1.878 17892 3547 1 12 . 1 1 24 24 LEU H H 24 7.430 7.430 8.509 -1.079 17892 3548 1 12 . 1 1 25 25 GLU N N 25 115.450 115.450 113.960 1.490 17892 3549 1 12 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.970 -0.064 17892 3550 1 12 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.092 0.694 17892 3551 1 12 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.525 0.018 17892 3552 1 12 . 1 1 25 25 GLU H H 25 7.987 7.987 8.355 -0.368 17892 3553 1 12 . 1 1 26 26 VAL N N 26 110.029 110.029 112.764 -2.735 17892 3554 1 12 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.600 0.240 17892 3555 1 12 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.388 -0.557 17892 3556 1 12 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.530 0.059 17892 3557 1 12 . 1 1 26 26 VAL H H 26 7.908 7.908 8.006 -0.098 17892 3558 1 12 . 1 1 27 27 SER N N 27 114.372 114.372 115.290 -0.918 17892 3559 1 12 . 1 1 27 27 SER HA H 27 4.761 4.761 4.577 0.184 17892 3560 1 12 . 1 1 27 27 SER CA C 27 56.661 56.661 57.893 -1.232 17892 3561 1 12 . 1 1 27 27 SER CB C 27 62.712 62.712 64.688 -1.976 17892 3562 1 12 . 1 1 27 27 SER H H 27 8.401 8.401 8.223 0.178 17892 3563 1 12 . 1 1 28 28 ARG N N 28 115.199 115.199 122.602 -7.403 17892 3564 1 12 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.988 -0.258 17892 3565 1 12 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.563 -0.185 17892 3566 1 12 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.989 -0.389 17892 3567 1 12 . 1 1 28 28 ARG H H 28 8.150 8.150 9.027 -0.877 17892 3568 1 12 . 1 1 29 29 GLN N N 29 117.559 117.559 118.039 -0.480 17892 3569 1 12 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.059 0.053 17892 3570 1 12 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.473 0.162 17892 3571 1 12 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.215 -0.097 17892 3572 1 12 . 1 1 29 29 GLN H H 29 8.674 8.674 8.850 -0.176 17892 3573 1 12 . 1 1 30 30 THR N N 30 119.900 119.900 117.789 2.111 17892 3574 1 12 . 1 1 30 30 THR HA H 30 4.373 4.373 4.174 0.199 17892 3575 1 12 . 1 1 30 30 THR CA C 30 68.235 68.235 66.465 1.770 17892 3576 1 12 . 1 1 30 30 THR CB C 30 66.938 66.938 68.885 -1.947 17892 3577 1 12 . 1 1 30 30 THR H H 30 7.995 7.995 8.328 -0.333 17892 3578 1 12 . 1 1 31 31 ILE N N 31 119.083 119.083 122.380 -3.297 17892 3579 1 12 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.694 0.050 17892 3580 1 12 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.921 -1.605 17892 3581 1 12 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.583 -0.956 17892 3582 1 12 . 1 1 31 31 ILE H H 31 7.118 7.118 8.129 -1.011 17892 3583 1 12 . 1 1 32 32 ASN N N 32 118.406 118.406 119.293 -0.887 17892 3584 1 12 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.431 -0.105 17892 3585 1 12 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.212 0.405 17892 3586 1 12 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.373 1.123 17892 3587 1 12 . 1 1 32 32 ASN H H 32 8.533 8.533 9.121 -0.588 17892 3588 1 12 . 1 1 33 33 GLY N N 33 125.014 125.014 109.393 15.621 17892 3589 1 12 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.976 0.714 17892 3590 1 12 . 1 1 33 33 GLY H H 33 8.477 8.477 8.547 -0.070 17892 3591 1 12 . 1 1 34 34 ILE N N 34 122.677 122.677 123.586 -0.909 17892 3592 1 12 . 1 1 34 34 ILE HA H 34 4.257 4.257 4.026 0.231 17892 3593 1 12 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.721 0.531 17892 3594 1 12 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.088 0.748 17892 3595 1 12 . 1 1 34 34 ILE H H 34 8.178 8.178 8.352 -0.174 17892 3596 1 12 . 1 1 35 35 GLU N N 35 120.928 120.928 120.970 -0.042 17892 3597 1 12 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.013 0.150 17892 3598 1 12 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.934 0.396 17892 3599 1 12 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.526 -0.124 17892 3600 1 12 . 1 1 35 35 GLU H H 35 8.537 8.537 8.935 -0.398 17892 3601 1 12 . 1 1 36 36 LYS N N 36 116.174 116.174 116.979 -0.805 17892 3602 1 12 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.220 0.250 17892 3603 1 12 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.665 0.364 17892 3604 1 12 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.871 0.618 17892 3605 1 12 . 1 1 36 36 LYS H H 36 7.978 7.978 8.171 -0.193 17892 3606 1 12 . 1 1 37 37 ASN N N 37 114.939 114.939 115.116 -0.177 17892 3607 1 12 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.385 0.283 17892 3608 1 12 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.523 0.529 17892 3609 1 12 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.879 0.650 17892 3610 1 12 . 1 1 37 37 ASN H H 37 8.150 8.150 8.020 0.130 17892 3611 1 12 . 1 1 38 38 LYS N N 38 115.469 115.469 118.904 -3.435 17892 3612 1 12 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.068 0.317 17892 3613 1 12 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.687 -1.927 17892 3614 1 12 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.320 0.273 17892 3615 1 12 . 1 1 38 38 LYS H H 38 8.586 8.586 8.384 0.202 17892 3616 1 12 . 1 1 39 39 TYR N N 39 117.011 117.011 110.986 6.025 17892 3617 1 12 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.730 -0.111 17892 3618 1 12 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.662 0.338 17892 3619 1 12 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.167 1.286 17892 3620 1 12 . 1 1 39 39 TYR H H 39 7.028 7.028 7.090 -0.062 17892 3621 1 12 . 1 1 40 40 ASN N N 40 123.592 123.592 119.234 4.358 17892 3622 1 12 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.986 0.195 17892 3623 1 12 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.547 -0.312 17892 3624 1 12 . 1 1 40 40 ASN CB C 40 39.026 39.026 38.788 0.238 17892 3625 1 12 . 1 1 40 40 ASN H H 40 8.618 8.618 8.613 0.005 17892 3626 1 12 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.529 -0.765 17892 3627 1 12 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.576 0.472 17892 3628 1 12 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.181 -0.048 17892 3629 1 12 . 1 1 42 42 SER N N 42 125.240 125.240 114.466 10.774 17892 3630 1 12 . 1 1 42 42 SER HA H 42 4.530 4.530 4.319 0.211 17892 3631 1 12 . 1 1 42 42 SER CA C 42 58.052 58.052 57.921 0.131 17892 3632 1 12 . 1 1 42 42 SER CB C 42 64.643 64.643 63.920 0.723 17892 3633 1 12 . 1 1 42 42 SER H H 42 7.798 7.798 8.154 -0.356 17892 3634 1 12 . 1 1 43 43 LEU N N 43 121.149 121.149 124.107 -2.958 17892 3635 1 12 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.034 -0.169 17892 3636 1 12 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.527 0.324 17892 3637 1 12 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.544 -0.138 17892 3638 1 12 . 1 1 43 43 LEU H H 43 9.134 9.134 8.703 0.431 17892 3639 1 12 . 1 1 44 44 GLN N N 44 115.817 115.817 118.744 -2.927 17892 3640 1 12 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.125 -0.433 17892 3641 1 12 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.359 1.286 17892 3642 1 12 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.323 0.477 17892 3643 1 12 . 1 1 44 44 GLN H H 44 8.743 8.743 8.642 0.101 17892 3644 1 12 . 1 1 45 45 LEU N N 45 119.397 119.397 119.183 0.214 17892 3645 1 12 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.979 -0.091 17892 3646 1 12 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.612 -2.556 17892 3647 1 12 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.403 -0.226 17892 3648 1 12 . 1 1 45 45 LEU H H 45 7.895 7.895 8.136 -0.241 17892 3649 1 12 . 1 1 46 46 ALA N N 46 120.694 120.694 122.337 -1.643 17892 3650 1 12 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.889 0.103 17892 3651 1 12 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.233 0.845 17892 3652 1 12 . 1 1 46 46 ALA CB C 46 19.953 19.953 17.943 2.010 17892 3653 1 12 . 1 1 46 46 ALA H H 46 8.437 8.437 8.622 -0.185 17892 3654 1 12 . 1 1 47 47 LEU N N 47 116.298 116.298 118.833 -2.535 17892 3655 1 12 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.892 0.263 17892 3656 1 12 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.053 -0.002 17892 3657 1 12 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.610 0.973 17892 3658 1 12 . 1 1 47 47 LEU H H 47 8.552 8.552 8.446 0.106 17892 3659 1 12 . 1 1 48 48 LYS N N 48 120.836 120.836 119.880 0.956 17892 3660 1 12 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.066 -0.543 17892 3661 1 12 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.255 0.207 17892 3662 1 12 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.531 0.604 17892 3663 1 12 . 1 1 48 48 LYS H H 48 7.863 7.863 8.643 -0.780 17892 3664 1 12 . 1 1 49 49 ILE N N 49 120.259 120.259 120.278 -0.019 17892 3665 1 12 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.842 -0.278 17892 3666 1 12 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.332 2.202 17892 3667 1 12 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.821 0.382 17892 3668 1 12 . 1 1 49 49 ILE H H 49 8.621 8.621 8.460 0.161 17892 3669 1 12 . 1 1 50 50 ALA N N 50 120.672 120.672 123.855 -3.183 17892 3670 1 12 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.270 -0.251 17892 3671 1 12 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.097 0.910 17892 3672 1 12 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.400 0.155 17892 3673 1 12 . 1 1 50 50 ALA H H 50 8.033 8.033 8.396 -0.363 17892 3674 1 12 . 1 1 51 51 TYR N N 51 117.393 117.393 120.520 -3.127 17892 3675 1 12 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.087 0.219 17892 3676 1 12 . 1 1 51 51 TYR CA C 51 61.927 61.927 61.670 0.256 17892 3677 1 12 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.511 0.261 17892 3678 1 12 . 1 1 51 51 TYR H H 51 8.108 8.108 8.462 -0.354 17892 3679 1 12 . 1 1 52 52 TYR N N 52 118.419 118.419 117.324 1.095 17892 3680 1 12 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.165 0.124 17892 3681 1 12 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.667 1.498 17892 3682 1 12 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.958 -0.930 17892 3683 1 12 . 1 1 52 52 TYR H H 52 8.891 8.891 8.709 0.182 17892 3684 1 12 . 1 1 53 53 LEU N N 53 115.657 115.657 117.277 -1.620 17892 3685 1 12 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.394 0.076 17892 3686 1 12 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.712 -0.092 17892 3687 1 12 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.848 -1.202 17892 3688 1 12 . 1 1 53 53 LEU H H 53 8.182 8.182 8.711 -0.529 17892 3689 1 12 . 1 1 54 54 ASN N N 54 122.127 122.127 116.742 5.385 17892 3690 1 12 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.387 0.021 17892 3691 1 12 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.133 0.035 17892 3692 1 12 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.334 0.833 17892 3693 1 12 . 1 1 54 54 ASN H H 54 8.048 8.048 7.619 0.429 17892 3694 1 12 . 1 1 55 55 THR N N 55 115.087 115.087 115.819 -0.732 17892 3695 1 12 . 1 1 55 55 THR HA H 55 4.902 4.902 4.711 0.191 17892 3696 1 12 . 1 1 55 55 THR CA C 55 60.449 60.449 60.121 0.328 17892 3697 1 12 . 1 1 55 55 THR CB C 55 75.269 75.269 70.253 5.016 17892 3698 1 12 . 1 1 55 55 THR H H 55 8.134 8.134 8.006 0.128 17892 3699 1 12 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.513 0.076 17892 3700 1 12 . 1 1 56 56 PRO CA C 56 63.145 63.145 63.112 0.033 17892 3701 1 12 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.570 -0.089 17892 3702 1 12 . 1 1 57 57 LEU N N 57 127.729 127.729 127.004 0.725 17892 3703 1 12 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.185 -0.195 17892 3704 1 12 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.815 1.683 17892 3705 1 12 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.240 -0.197 17892 3706 1 12 . 1 1 57 57 LEU H H 57 9.788 9.788 8.622 1.166 17892 3707 1 12 . 1 1 58 58 GLU N N 58 123.764 123.764 117.423 6.341 17892 3708 1 12 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.330 0.504 17892 3709 1 12 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.990 0.048 17892 3710 1 12 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.166 0.442 17892 3711 1 12 . 1 1 58 58 GLU H H 58 9.188 9.188 8.589 0.599 17892 3712 1 12 . 1 1 59 59 ASP N N 59 117.867 117.867 116.947 0.920 17892 3713 1 12 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.445 0.156 17892 3714 1 12 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.355 -0.182 17892 3715 1 12 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.767 -0.226 17892 3716 1 12 . 1 1 59 59 ASP H H 59 7.910 7.910 8.201 -0.291 17892 3717 1 12 . 1 1 60 60 ILE N N 60 119.503 119.503 118.138 1.365 17892 3718 1 12 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.707 -0.196 17892 3719 1 12 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.125 0.222 17892 3720 1 12 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.850 1.116 17892 3721 1 12 . 1 1 60 60 ILE H H 60 8.104 8.104 7.639 0.465 17892 3722 1 12 . 1 1 61 61 PHE N N 61 116.398 116.398 117.783 -1.385 17892 3723 1 12 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.510 -0.050 17892 3724 1 12 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.583 0.425 17892 3725 1 12 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.109 2.721 17892 3726 1 12 . 1 1 61 61 PHE H H 61 8.463 8.463 8.757 -0.294 17892 3727 1 12 . 1 1 62 62 GLN N N 62 117.212 117.212 120.891 -3.679 17892 3728 1 12 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.825 0.176 17892 3729 1 12 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.606 0.973 17892 3730 1 12 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.626 0.752 17892 3731 1 12 . 1 1 62 62 GLN H H 62 8.572 8.572 8.850 -0.278 17892 3732 1 12 . 1 1 63 63 TRP N N 63 125.622 125.622 129.189 -3.567 17892 3733 1 12 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.995 0.181 17892 3734 1 12 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.339 -0.187 17892 3735 1 12 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.888 1.366 17892 3736 1 12 . 1 1 63 63 TRP H H 63 9.278 9.278 8.943 0.335 17892 3737 1 12 . 1 1 64 64 GLN N N 64 126.649 126.649 127.779 -1.130 17892 3738 1 12 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.565 -0.359 17892 3739 1 12 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.559 -0.671 17892 3740 1 12 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.912 1.252 17892 3741 1 12 . 1 1 64 64 GLN H H 64 7.841 7.841 9.012 -1.171 17892 3742 1 12 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.635 0.971 17892 3743 1 12 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.580 -0.478 17892 3744 1 12 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.040 0.010 17892 3745 1 13 . 1 1 2 2 ILE N N 2 123.730 123.730 121.981 1.749 17892 3746 1 13 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.925 0.062 17892 3747 1 13 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.109 0.221 17892 3748 1 13 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.843 -0.266 17892 3749 1 13 . 1 1 2 2 ILE H H 2 8.813 8.813 7.664 1.149 17892 3750 1 13 . 1 1 3 3 ILE N N 3 129.451 129.451 129.078 0.373 17892 3751 1 13 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.157 0.157 17892 3752 1 13 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.706 0.006 17892 3753 1 13 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.005 -0.148 17892 3754 1 13 . 1 1 3 3 ILE H H 3 9.355 9.355 9.305 0.050 17892 3755 1 13 . 1 1 4 4 ASN N N 4 124.242 124.242 126.417 -2.175 17892 3756 1 13 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.972 0.478 17892 3757 1 13 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.210 -0.470 17892 3758 1 13 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.192 2.366 17892 3759 1 13 . 1 1 4 4 ASN H H 4 8.823 8.823 8.850 -0.027 17892 3760 1 13 . 1 1 5 5 ASN N N 5 121.916 121.916 123.591 -1.675 17892 3761 1 13 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.828 0.552 17892 3762 1 13 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.976 -0.955 17892 3763 1 13 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.098 1.039 17892 3764 1 13 . 1 1 5 5 ASN H H 5 9.356 9.356 9.092 0.264 17892 3765 1 13 . 1 1 6 6 LEU N N 6 120.873 120.873 122.734 -1.861 17892 3766 1 13 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.795 -0.053 17892 3767 1 13 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.355 0.750 17892 3768 1 13 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.565 -0.210 17892 3769 1 13 . 1 1 6 6 LEU H H 6 8.419 8.419 9.052 -0.633 17892 3770 1 13 . 1 1 7 7 LYS N N 7 118.232 118.232 117.740 0.492 17892 3771 1 13 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.935 -0.050 17892 3772 1 13 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.367 1.490 17892 3773 1 13 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.440 1.413 17892 3774 1 13 . 1 1 7 7 LYS H H 7 8.820 8.820 8.347 0.473 17892 3775 1 13 . 1 1 8 8 LEU N N 8 116.679 116.679 120.606 -3.927 17892 3776 1 13 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.094 0.020 17892 3777 1 13 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.332 0.886 17892 3778 1 13 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.816 0.761 17892 3779 1 13 . 1 1 8 8 LEU H H 8 7.443 7.443 7.654 -0.211 17892 3780 1 13 . 1 1 9 9 ILE N N 9 119.043 119.043 119.939 -0.896 17892 3781 1 13 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.576 0.203 17892 3782 1 13 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.372 -1.966 17892 3783 1 13 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.447 -0.522 17892 3784 1 13 . 1 1 9 9 ILE H H 9 8.133 8.133 8.868 -0.735 17892 3785 1 13 . 1 1 10 10 ARG N N 10 120.200 120.200 120.951 -0.751 17892 3786 1 13 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.795 0.047 17892 3787 1 13 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.200 1.077 17892 3788 1 13 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.075 -1.041 17892 3789 1 13 . 1 1 10 10 ARG H H 10 9.128 9.128 8.763 0.365 17892 3790 1 13 . 1 1 11 11 GLU N N 11 116.457 116.457 118.394 -1.937 17892 3791 1 13 . 1 1 11 11 GLU HA H 11 4.114 4.114 3.954 0.160 17892 3792 1 13 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.721 0.215 17892 3793 1 13 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.099 0.366 17892 3794 1 13 . 1 1 11 11 GLU H H 11 8.555 8.555 8.027 0.528 17892 3795 1 13 . 1 1 12 12 LYS N N 12 122.500 122.500 119.683 2.817 17892 3796 1 13 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.074 0.089 17892 3797 1 13 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.059 0.907 17892 3798 1 13 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.221 0.327 17892 3799 1 13 . 1 1 12 12 LYS H H 12 8.169 8.169 7.773 0.396 17892 3800 1 13 . 1 1 13 13 LYS N N 13 116.690 116.690 118.869 -2.179 17892 3801 1 13 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.188 0.077 17892 3802 1 13 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.834 -1.214 17892 3803 1 13 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.462 -0.363 17892 3804 1 13 . 1 1 13 13 LYS H H 13 7.748 7.748 7.893 -0.145 17892 3805 1 13 . 1 1 14 14 LYS N N 14 115.251 115.251 114.699 0.552 17892 3806 1 13 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.874 0.040 17892 3807 1 13 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.332 0.135 17892 3808 1 13 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.368 -1.453 17892 3809 1 13 . 1 1 14 14 LYS H H 14 7.978 7.978 8.545 -0.567 17892 3810 1 13 . 1 1 15 15 ILE N N 15 118.640 118.640 119.720 -1.080 17892 3811 1 13 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.191 0.376 17892 3812 1 13 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.402 0.219 17892 3813 1 13 . 1 1 15 15 ILE CB C 15 41.173 41.173 38.982 2.191 17892 3814 1 13 . 1 1 15 15 ILE H H 15 7.508 7.508 7.548 -0.040 17892 3815 1 13 . 1 1 16 16 SER N N 16 124.827 124.827 122.899 1.928 17892 3816 1 13 . 1 1 16 16 SER HA H 16 4.559 4.559 4.560 -0.001 17892 3817 1 13 . 1 1 16 16 SER CA C 16 57.422 57.422 57.870 -0.447 17892 3818 1 13 . 1 1 16 16 SER CB C 16 65.249 65.249 63.980 1.269 17892 3819 1 13 . 1 1 16 16 SER H H 16 9.220 9.220 9.056 0.164 17892 3820 1 13 . 1 1 17 17 GLN N N 17 120.457 120.457 122.148 -1.691 17892 3821 1 13 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.934 -0.183 17892 3822 1 13 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.412 1.865 17892 3823 1 13 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.175 1.425 17892 3824 1 13 . 1 1 17 17 GLN H H 17 9.364 9.364 8.952 0.412 17892 3825 1 13 . 1 1 18 18 SER N N 18 112.796 112.796 115.448 -2.652 17892 3826 1 13 . 1 1 18 18 SER HA H 18 4.739 4.739 4.041 0.698 17892 3827 1 13 . 1 1 18 18 SER CA C 18 63.145 63.145 62.441 0.704 17892 3828 1 13 . 1 1 18 18 SER CB C 18 65.724 65.724 62.254 3.470 17892 3829 1 13 . 1 1 18 18 SER H H 18 8.680 8.680 8.607 0.073 17892 3830 1 13 . 1 1 19 19 GLU N N 19 124.363 124.363 121.998 2.365 17892 3831 1 13 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.078 -0.008 17892 3832 1 13 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.553 0.757 17892 3833 1 13 . 1 1 19 19 GLU CB C 19 30.191 30.191 28.886 1.305 17892 3834 1 13 . 1 1 19 19 GLU H H 19 8.145 8.145 7.735 0.410 17892 3835 1 13 . 1 1 20 20 LEU N N 20 119.741 119.741 122.142 -2.401 17892 3836 1 13 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.963 0.137 17892 3837 1 13 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.741 0.366 17892 3838 1 13 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.390 0.165 17892 3839 1 13 . 1 1 20 20 LEU H H 20 8.161 8.161 8.082 0.079 17892 3840 1 13 . 1 1 21 21 ALA N N 21 119.970 119.970 121.799 -1.829 17892 3841 1 13 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.948 -0.259 17892 3842 1 13 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.192 0.628 17892 3843 1 13 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.956 -0.558 17892 3844 1 13 . 1 1 21 21 ALA H H 21 8.436 8.436 8.809 -0.373 17892 3845 1 13 . 1 1 22 22 ALA N N 22 117.873 117.873 121.896 -4.023 17892 3846 1 13 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.062 0.142 17892 3847 1 13 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.536 0.525 17892 3848 1 13 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.469 -0.234 17892 3849 1 13 . 1 1 22 22 ALA H H 22 7.709 7.709 7.992 -0.283 17892 3850 1 13 . 1 1 23 23 LEU N N 23 118.771 118.771 118.942 -0.171 17892 3851 1 13 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.541 0.374 17892 3852 1 13 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.387 0.263 17892 3853 1 13 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.486 0.447 17892 3854 1 13 . 1 1 23 23 LEU H H 23 7.543 7.543 8.435 -0.892 17892 3855 1 13 . 1 1 24 24 LEU N N 24 114.703 114.703 116.646 -1.943 17892 3856 1 13 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.470 -0.208 17892 3857 1 13 . 1 1 24 24 LEU CA C 24 55.851 55.851 54.933 0.918 17892 3858 1 13 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.653 2.330 17892 3859 1 13 . 1 1 24 24 LEU H H 24 7.430 7.430 8.376 -0.946 17892 3860 1 13 . 1 1 25 25 GLU N N 25 115.450 115.450 115.813 -0.363 17892 3861 1 13 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.926 -0.020 17892 3862 1 13 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.616 0.170 17892 3863 1 13 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.777 -0.234 17892 3864 1 13 . 1 1 25 25 GLU H H 25 7.987 7.987 7.589 0.398 17892 3865 1 13 . 1 1 26 26 VAL N N 26 110.029 110.029 111.627 -1.598 17892 3866 1 13 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.588 0.252 17892 3867 1 13 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.459 -0.628 17892 3868 1 13 . 1 1 26 26 VAL CB C 26 35.589 35.589 34.981 0.608 17892 3869 1 13 . 1 1 26 26 VAL H H 26 7.908 7.908 8.185 -0.277 17892 3870 1 13 . 1 1 27 27 SER N N 27 114.372 114.372 113.296 1.076 17892 3871 1 13 . 1 1 27 27 SER HA H 27 4.761 4.761 4.802 -0.041 17892 3872 1 13 . 1 1 27 27 SER CA C 27 56.661 56.661 55.807 0.854 17892 3873 1 13 . 1 1 27 27 SER CB C 27 62.712 62.712 65.178 -2.466 17892 3874 1 13 . 1 1 27 27 SER H H 27 8.401 8.401 8.325 0.076 17892 3875 1 13 . 1 1 28 28 ARG N N 28 115.199 115.199 121.752 -6.553 17892 3876 1 13 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.995 -0.265 17892 3877 1 13 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.403 -0.025 17892 3878 1 13 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.232 -0.632 17892 3879 1 13 . 1 1 28 28 ARG H H 28 8.150 8.150 8.900 -0.750 17892 3880 1 13 . 1 1 29 29 GLN N N 29 117.559 117.559 118.031 -0.472 17892 3881 1 13 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.082 0.030 17892 3882 1 13 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.306 0.329 17892 3883 1 13 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.336 -0.218 17892 3884 1 13 . 1 1 29 29 GLN H H 29 8.674 8.674 8.585 0.089 17892 3885 1 13 . 1 1 30 30 THR N N 30 119.900 119.900 117.065 2.835 17892 3886 1 13 . 1 1 30 30 THR HA H 30 4.373 4.373 4.267 0.106 17892 3887 1 13 . 1 1 30 30 THR CA C 30 68.235 68.235 66.375 1.860 17892 3888 1 13 . 1 1 30 30 THR CB C 30 66.938 66.938 68.443 -1.505 17892 3889 1 13 . 1 1 30 30 THR H H 30 7.995 7.995 7.352 0.643 17892 3890 1 13 . 1 1 31 31 ILE N N 31 119.083 119.083 122.740 -3.657 17892 3891 1 13 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.730 0.014 17892 3892 1 13 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.831 -1.515 17892 3893 1 13 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.438 -0.811 17892 3894 1 13 . 1 1 31 31 ILE H H 31 7.118 7.118 8.405 -1.287 17892 3895 1 13 . 1 1 32 32 ASN N N 32 118.406 118.406 119.043 -0.637 17892 3896 1 13 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.424 -0.098 17892 3897 1 13 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.392 0.225 17892 3898 1 13 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.327 1.169 17892 3899 1 13 . 1 1 32 32 ASN H H 32 8.533 8.533 9.206 -0.673 17892 3900 1 13 . 1 1 33 33 GLY N N 33 125.014 125.014 108.402 16.612 17892 3901 1 13 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.067 0.623 17892 3902 1 13 . 1 1 33 33 GLY H H 33 8.477 8.477 7.875 0.602 17892 3903 1 13 . 1 1 34 34 ILE N N 34 122.677 122.677 122.919 -0.242 17892 3904 1 13 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.767 0.490 17892 3905 1 13 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.382 0.870 17892 3906 1 13 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.830 1.006 17892 3907 1 13 . 1 1 34 34 ILE H H 34 8.178 8.178 7.136 1.042 17892 3908 1 13 . 1 1 35 35 GLU N N 35 120.928 120.928 120.760 0.168 17892 3909 1 13 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.953 0.210 17892 3910 1 13 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.972 0.358 17892 3911 1 13 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.353 0.049 17892 3912 1 13 . 1 1 35 35 GLU H H 35 8.537 8.537 8.458 0.079 17892 3913 1 13 . 1 1 36 36 LYS N N 36 116.174 116.174 116.659 -0.485 17892 3914 1 13 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.158 0.312 17892 3915 1 13 . 1 1 36 36 LYS CA C 36 56.029 56.029 56.273 -0.244 17892 3916 1 13 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.814 0.675 17892 3917 1 13 . 1 1 36 36 LYS H H 36 7.978 7.978 7.932 0.046 17892 3918 1 13 . 1 1 37 37 ASN N N 37 114.939 114.939 114.852 0.087 17892 3919 1 13 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.391 0.277 17892 3920 1 13 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.476 0.576 17892 3921 1 13 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.531 0.998 17892 3922 1 13 . 1 1 37 37 ASN H H 37 8.150 8.150 8.216 -0.066 17892 3923 1 13 . 1 1 38 38 LYS N N 38 115.469 115.469 118.372 -2.903 17892 3924 1 13 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.103 0.282 17892 3925 1 13 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.709 -1.949 17892 3926 1 13 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.541 0.052 17892 3927 1 13 . 1 1 38 38 LYS H H 38 8.586 8.586 8.414 0.172 17892 3928 1 13 . 1 1 39 39 TYR N N 39 117.011 117.011 111.308 5.703 17892 3929 1 13 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.712 -0.093 17892 3930 1 13 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.616 0.384 17892 3931 1 13 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.321 1.132 17892 3932 1 13 . 1 1 39 39 TYR H H 39 7.028 7.028 7.085 -0.057 17892 3933 1 13 . 1 1 40 40 ASN N N 40 123.592 123.592 119.424 4.168 17892 3934 1 13 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.982 0.199 17892 3935 1 13 . 1 1 40 40 ASN CA C 40 50.235 50.235 49.799 0.436 17892 3936 1 13 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.586 -0.560 17892 3937 1 13 . 1 1 40 40 ASN H H 40 8.618 8.618 8.590 0.028 17892 3938 1 13 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.599 -0.835 17892 3939 1 13 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.448 0.600 17892 3940 1 13 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.391 -0.258 17892 3941 1 13 . 1 1 42 42 SER N N 42 125.240 125.240 114.533 10.707 17892 3942 1 13 . 1 1 42 42 SER HA H 42 4.530 4.530 4.255 0.275 17892 3943 1 13 . 1 1 42 42 SER CA C 42 58.052 58.052 57.674 0.378 17892 3944 1 13 . 1 1 42 42 SER CB C 42 64.643 64.643 64.001 0.642 17892 3945 1 13 . 1 1 42 42 SER H H 42 7.798 7.798 8.091 -0.293 17892 3946 1 13 . 1 1 43 43 LEU N N 43 121.149 121.149 123.278 -2.129 17892 3947 1 13 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.008 -0.143 17892 3948 1 13 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.419 0.432 17892 3949 1 13 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.387 0.019 17892 3950 1 13 . 1 1 43 43 LEU H H 43 9.134 9.134 8.722 0.412 17892 3951 1 13 . 1 1 44 44 GLN N N 44 115.817 115.817 117.823 -2.006 17892 3952 1 13 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.053 -0.361 17892 3953 1 13 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.387 1.258 17892 3954 1 13 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.238 0.562 17892 3955 1 13 . 1 1 44 44 GLN H H 44 8.743 8.743 8.694 0.049 17892 3956 1 13 . 1 1 45 45 LEU N N 45 119.397 119.397 120.322 -0.925 17892 3957 1 13 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.923 -0.035 17892 3958 1 13 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.754 -2.698 17892 3959 1 13 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.588 -0.411 17892 3960 1 13 . 1 1 45 45 LEU H H 45 7.895 7.895 7.535 0.360 17892 3961 1 13 . 1 1 46 46 ALA N N 46 120.694 120.694 122.305 -1.611 17892 3962 1 13 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.862 0.130 17892 3963 1 13 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.249 0.829 17892 3964 1 13 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.146 1.807 17892 3965 1 13 . 1 1 46 46 ALA H H 46 8.437 8.437 8.606 -0.169 17892 3966 1 13 . 1 1 47 47 LEU N N 47 116.298 116.298 119.027 -2.729 17892 3967 1 13 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.877 0.278 17892 3968 1 13 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.102 -0.051 17892 3969 1 13 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.580 1.003 17892 3970 1 13 . 1 1 47 47 LEU H H 47 8.552 8.552 8.800 -0.248 17892 3971 1 13 . 1 1 48 48 LYS N N 48 120.836 120.836 120.510 0.326 17892 3972 1 13 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.782 -0.259 17892 3973 1 13 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.114 0.348 17892 3974 1 13 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.461 0.674 17892 3975 1 13 . 1 1 48 48 LYS H H 48 7.863 7.863 8.402 -0.539 17892 3976 1 13 . 1 1 49 49 ILE N N 49 120.259 120.259 120.104 0.155 17892 3977 1 13 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.890 -0.326 17892 3978 1 13 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.299 2.235 17892 3979 1 13 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.906 0.297 17892 3980 1 13 . 1 1 49 49 ILE H H 49 8.621 8.621 8.357 0.264 17892 3981 1 13 . 1 1 50 50 ALA N N 50 120.672 120.672 123.891 -3.219 17892 3982 1 13 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.178 -0.159 17892 3983 1 13 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.180 0.827 17892 3984 1 13 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.327 0.228 17892 3985 1 13 . 1 1 50 50 ALA H H 50 8.033 8.033 8.480 -0.447 17892 3986 1 13 . 1 1 51 51 TYR N N 51 117.393 117.393 120.432 -3.039 17892 3987 1 13 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.022 0.284 17892 3988 1 13 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.297 -0.371 17892 3989 1 13 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.509 0.264 17892 3990 1 13 . 1 1 51 51 TYR H H 51 8.108 8.108 8.815 -0.707 17892 3991 1 13 . 1 1 52 52 TYR N N 52 118.419 118.419 118.553 -0.134 17892 3992 1 13 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.264 0.026 17892 3993 1 13 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.608 1.557 17892 3994 1 13 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.655 -0.627 17892 3995 1 13 . 1 1 52 52 TYR H H 52 8.891 8.891 8.754 0.137 17892 3996 1 13 . 1 1 53 53 LEU N N 53 115.657 115.657 116.294 -0.637 17892 3997 1 13 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.438 0.032 17892 3998 1 13 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.546 0.074 17892 3999 1 13 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.791 -1.145 17892 4000 1 13 . 1 1 53 53 LEU H H 53 8.182 8.182 8.693 -0.511 17892 4001 1 13 . 1 1 54 54 ASN N N 54 122.127 122.127 117.414 4.713 17892 4002 1 13 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.322 0.086 17892 4003 1 13 . 1 1 54 54 ASN CA C 54 54.168 54.168 53.935 0.233 17892 4004 1 13 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.590 0.577 17892 4005 1 13 . 1 1 54 54 ASN H H 54 8.048 8.048 7.855 0.193 17892 4006 1 13 . 1 1 55 55 THR N N 55 115.087 115.087 116.092 -1.005 17892 4007 1 13 . 1 1 55 55 THR HA H 55 4.902 4.902 4.824 0.078 17892 4008 1 13 . 1 1 55 55 THR CA C 55 60.449 60.449 59.777 0.672 17892 4009 1 13 . 1 1 55 55 THR CB C 55 75.269 75.269 70.594 4.675 17892 4010 1 13 . 1 1 55 55 THR H H 55 8.134 8.134 8.104 0.030 17892 4011 1 13 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.501 0.088 17892 4012 1 13 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.641 0.504 17892 4013 1 13 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.421 0.060 17892 4014 1 13 . 1 1 57 57 LEU N N 57 127.729 127.729 127.106 0.623 17892 4015 1 13 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.161 -0.171 17892 4016 1 13 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.771 1.727 17892 4017 1 13 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.253 -0.210 17892 4018 1 13 . 1 1 57 57 LEU H H 57 9.788 9.788 8.609 1.179 17892 4019 1 13 . 1 1 58 58 GLU N N 58 123.764 123.764 119.462 4.302 17892 4020 1 13 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.390 0.444 17892 4021 1 13 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.856 0.182 17892 4022 1 13 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.914 0.694 17892 4023 1 13 . 1 1 58 58 GLU H H 58 9.188 9.188 8.672 0.516 17892 4024 1 13 . 1 1 59 59 ASP N N 59 117.867 117.867 118.079 -0.212 17892 4025 1 13 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.437 0.164 17892 4026 1 13 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.253 -0.080 17892 4027 1 13 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.641 -0.100 17892 4028 1 13 . 1 1 59 59 ASP H H 59 7.910 7.910 8.124 -0.214 17892 4029 1 13 . 1 1 60 60 ILE N N 60 119.503 119.503 118.045 1.458 17892 4030 1 13 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.721 -0.210 17892 4031 1 13 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.139 0.208 17892 4032 1 13 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.856 1.110 17892 4033 1 13 . 1 1 60 60 ILE H H 60 8.104 8.104 7.608 0.496 17892 4034 1 13 . 1 1 61 61 PHE N N 61 116.398 116.398 117.736 -1.338 17892 4035 1 13 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.437 0.023 17892 4036 1 13 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.690 0.318 17892 4037 1 13 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.027 2.804 17892 4038 1 13 . 1 1 61 61 PHE H H 61 8.463 8.463 8.826 -0.363 17892 4039 1 13 . 1 1 62 62 GLN N N 62 117.212 117.212 121.468 -4.256 17892 4040 1 13 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.865 0.136 17892 4041 1 13 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.614 0.965 17892 4042 1 13 . 1 1 62 62 GLN CB C 62 32.378 32.378 30.966 1.412 17892 4043 1 13 . 1 1 62 62 GLN H H 62 8.572 8.572 9.130 -0.558 17892 4044 1 13 . 1 1 63 63 TRP N N 63 125.622 125.622 129.741 -4.119 17892 4045 1 13 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.858 0.318 17892 4046 1 13 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.641 -0.489 17892 4047 1 13 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.289 0.965 17892 4048 1 13 . 1 1 63 63 TRP H H 63 9.278 9.278 9.034 0.244 17892 4049 1 13 . 1 1 64 64 GLN N N 64 126.649 126.649 126.799 -0.150 17892 4050 1 13 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.511 -0.305 17892 4051 1 13 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.495 -0.608 17892 4052 1 13 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.456 0.708 17892 4053 1 13 . 1 1 64 64 GLN H H 64 7.841 7.841 8.662 -0.821 17892 4054 1 13 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.621 0.985 17892 4055 1 13 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.831 -0.729 17892 4056 1 13 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.196 -0.146 17892 4057 1 14 . 1 1 2 2 ILE N N 2 123.730 123.730 121.243 2.487 17892 4058 1 14 . 1 1 2 2 ILE HA H 2 4.987 4.987 5.139 -0.152 17892 4059 1 14 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.133 0.197 17892 4060 1 14 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.555 0.022 17892 4061 1 14 . 1 1 2 2 ILE H H 2 8.813 8.813 7.736 1.077 17892 4062 1 14 . 1 1 3 3 ILE N N 3 129.451 129.451 129.172 0.279 17892 4063 1 14 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.175 0.139 17892 4064 1 14 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.644 0.068 17892 4065 1 14 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.123 -0.266 17892 4066 1 14 . 1 1 3 3 ILE H H 3 9.355 9.355 9.001 0.354 17892 4067 1 14 . 1 1 4 4 ASN N N 4 124.242 124.242 126.210 -1.968 17892 4068 1 14 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.978 0.472 17892 4069 1 14 . 1 1 4 4 ASN CA C 4 51.740 51.740 51.917 -0.177 17892 4070 1 14 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.353 2.205 17892 4071 1 14 . 1 1 4 4 ASN H H 4 8.823 8.823 8.840 -0.017 17892 4072 1 14 . 1 1 5 5 ASN N N 5 121.916 121.916 123.632 -1.716 17892 4073 1 14 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.802 0.578 17892 4074 1 14 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.780 -0.759 17892 4075 1 14 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.730 1.407 17892 4076 1 14 . 1 1 5 5 ASN H H 5 9.356 9.356 9.056 0.300 17892 4077 1 14 . 1 1 6 6 LEU N N 6 120.873 120.873 123.220 -2.347 17892 4078 1 14 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.812 -0.070 17892 4079 1 14 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.358 0.747 17892 4080 1 14 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.608 -0.253 17892 4081 1 14 . 1 1 6 6 LEU H H 6 8.419 8.419 9.107 -0.688 17892 4082 1 14 . 1 1 7 7 LYS N N 7 118.232 118.232 118.031 0.201 17892 4083 1 14 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.148 -0.263 17892 4084 1 14 . 1 1 7 7 LYS CA C 7 60.857 60.857 58.953 1.903 17892 4085 1 14 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.957 1.896 17892 4086 1 14 . 1 1 7 7 LYS H H 7 8.820 8.820 8.445 0.375 17892 4087 1 14 . 1 1 8 8 LEU N N 8 116.679 116.679 121.071 -4.392 17892 4088 1 14 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.073 0.041 17892 4089 1 14 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.370 0.848 17892 4090 1 14 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.810 0.768 17892 4091 1 14 . 1 1 8 8 LEU H H 8 7.443 7.443 7.531 -0.088 17892 4092 1 14 . 1 1 9 9 ILE N N 9 119.043 119.043 119.431 -0.388 17892 4093 1 14 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.538 0.241 17892 4094 1 14 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.847 -2.441 17892 4095 1 14 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.632 -0.707 17892 4096 1 14 . 1 1 9 9 ILE H H 9 8.133 8.133 8.796 -0.663 17892 4097 1 14 . 1 1 10 10 ARG N N 10 120.200 120.200 120.848 -0.648 17892 4098 1 14 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.858 -0.016 17892 4099 1 14 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.175 1.101 17892 4100 1 14 . 1 1 10 10 ARG CB C 10 29.034 29.034 29.997 -0.963 17892 4101 1 14 . 1 1 10 10 ARG H H 10 9.128 9.128 8.885 0.243 17892 4102 1 14 . 1 1 11 11 GLU N N 11 116.457 116.457 118.627 -2.170 17892 4103 1 14 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.075 0.039 17892 4104 1 14 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.267 0.669 17892 4105 1 14 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.929 0.535 17892 4106 1 14 . 1 1 11 11 GLU H H 11 8.555 8.555 8.563 -0.008 17892 4107 1 14 . 1 1 12 12 LYS N N 12 122.500 122.500 120.243 2.257 17892 4108 1 14 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.035 0.128 17892 4109 1 14 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.527 0.439 17892 4110 1 14 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.431 0.117 17892 4111 1 14 . 1 1 12 12 LYS H H 12 8.169 8.169 8.017 0.152 17892 4112 1 14 . 1 1 13 13 LYS N N 13 116.690 116.690 118.050 -1.360 17892 4113 1 14 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.155 0.110 17892 4114 1 14 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.437 -0.817 17892 4115 1 14 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.529 -0.430 17892 4116 1 14 . 1 1 13 13 LYS H H 13 7.748 7.748 8.261 -0.513 17892 4117 1 14 . 1 1 14 14 LYS N N 14 115.251 115.251 115.980 -0.729 17892 4118 1 14 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.878 0.036 17892 4119 1 14 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.032 0.435 17892 4120 1 14 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.286 -1.371 17892 4121 1 14 . 1 1 14 14 LYS H H 14 7.978 7.978 8.392 -0.414 17892 4122 1 14 . 1 1 15 15 ILE N N 15 118.640 118.640 118.806 -0.166 17892 4123 1 14 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.241 0.326 17892 4124 1 14 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.348 0.273 17892 4125 1 14 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.294 0.879 17892 4126 1 14 . 1 1 15 15 ILE H H 15 7.508 7.508 7.461 0.047 17892 4127 1 14 . 1 1 16 16 SER N N 16 124.827 124.827 121.229 3.598 17892 4128 1 14 . 1 1 16 16 SER HA H 16 4.559 4.559 4.519 0.040 17892 4129 1 14 . 1 1 16 16 SER CA C 16 57.422 57.422 58.364 -0.942 17892 4130 1 14 . 1 1 16 16 SER CB C 16 65.249 65.249 64.517 0.732 17892 4131 1 14 . 1 1 16 16 SER H H 16 9.220 9.220 9.546 -0.326 17892 4132 1 14 . 1 1 17 17 GLN N N 17 120.457 120.457 126.881 -6.424 17892 4133 1 14 . 1 1 17 17 GLN HA H 17 3.751 3.751 4.015 -0.264 17892 4134 1 14 . 1 1 17 17 GLN CA C 17 61.277 61.277 58.727 2.550 17892 4135 1 14 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.634 0.967 17892 4136 1 14 . 1 1 17 17 GLN H H 17 9.364 9.364 9.002 0.362 17892 4137 1 14 . 1 1 18 18 SER N N 18 112.796 112.796 117.126 -4.330 17892 4138 1 14 . 1 1 18 18 SER HA H 18 4.739 4.739 4.026 0.713 17892 4139 1 14 . 1 1 18 18 SER CA C 18 63.145 63.145 62.883 0.263 17892 4140 1 14 . 1 1 18 18 SER CB C 18 65.724 65.724 62.522 3.202 17892 4141 1 14 . 1 1 18 18 SER H H 18 8.680 8.680 8.198 0.482 17892 4142 1 14 . 1 1 19 19 GLU N N 19 124.363 124.363 121.830 2.533 17892 4143 1 14 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.095 -0.025 17892 4144 1 14 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.783 0.527 17892 4145 1 14 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.066 1.125 17892 4146 1 14 . 1 1 19 19 GLU H H 19 8.145 8.145 8.322 -0.177 17892 4147 1 14 . 1 1 20 20 LEU N N 20 119.741 119.741 122.039 -2.298 17892 4148 1 14 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.973 0.127 17892 4149 1 14 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.856 0.251 17892 4150 1 14 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.408 0.147 17892 4151 1 14 . 1 1 20 20 LEU H H 20 8.161 8.161 8.566 -0.405 17892 4152 1 14 . 1 1 21 21 ALA N N 21 119.970 119.970 121.596 -1.626 17892 4153 1 14 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.947 -0.258 17892 4154 1 14 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.166 0.654 17892 4155 1 14 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.995 -0.597 17892 4156 1 14 . 1 1 21 21 ALA H H 21 8.436 8.436 8.829 -0.393 17892 4157 1 14 . 1 1 22 22 ALA N N 22 117.873 117.873 121.894 -4.021 17892 4158 1 14 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.012 0.192 17892 4159 1 14 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.561 0.500 17892 4160 1 14 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.475 -0.240 17892 4161 1 14 . 1 1 22 22 ALA H H 22 7.709 7.709 8.025 -0.316 17892 4162 1 14 . 1 1 23 23 LEU N N 23 118.771 118.771 118.168 0.603 17892 4163 1 14 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.508 0.407 17892 4164 1 14 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.652 0.998 17892 4165 1 14 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.696 0.238 17892 4166 1 14 . 1 1 23 23 LEU H H 23 7.543 7.543 8.142 -0.599 17892 4167 1 14 . 1 1 24 24 LEU N N 24 114.703 114.703 115.143 -0.440 17892 4168 1 14 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.114 0.148 17892 4169 1 14 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.575 -0.724 17892 4170 1 14 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.565 1.419 17892 4171 1 14 . 1 1 24 24 LEU H H 24 7.430 7.430 7.996 -0.566 17892 4172 1 14 . 1 1 25 25 GLU N N 25 115.450 115.450 114.004 1.446 17892 4173 1 14 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.008 -0.102 17892 4174 1 14 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.003 0.783 17892 4175 1 14 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.398 0.145 17892 4176 1 14 . 1 1 25 25 GLU H H 25 7.987 7.987 8.414 -0.427 17892 4177 1 14 . 1 1 26 26 VAL N N 26 110.029 110.029 112.313 -2.284 17892 4178 1 14 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.582 0.258 17892 4179 1 14 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.439 -0.608 17892 4180 1 14 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.560 0.029 17892 4181 1 14 . 1 1 26 26 VAL H H 26 7.908 7.908 8.111 -0.203 17892 4182 1 14 . 1 1 27 27 SER N N 27 114.372 114.372 115.052 -0.680 17892 4183 1 14 . 1 1 27 27 SER HA H 27 4.761 4.761 4.657 0.104 17892 4184 1 14 . 1 1 27 27 SER CA C 27 56.661 56.661 57.523 -0.862 17892 4185 1 14 . 1 1 27 27 SER CB C 27 62.712 62.712 64.956 -2.244 17892 4186 1 14 . 1 1 27 27 SER H H 27 8.401 8.401 8.033 0.368 17892 4187 1 14 . 1 1 28 28 ARG N N 28 115.199 115.199 121.960 -6.761 17892 4188 1 14 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.024 -0.294 17892 4189 1 14 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.435 -0.058 17892 4190 1 14 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.965 -0.365 17892 4191 1 14 . 1 1 28 28 ARG H H 28 8.150 8.150 9.020 -0.870 17892 4192 1 14 . 1 1 29 29 GLN N N 29 117.559 117.559 117.901 -0.342 17892 4193 1 14 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.124 -0.012 17892 4194 1 14 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.546 0.089 17892 4195 1 14 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.236 -0.118 17892 4196 1 14 . 1 1 29 29 GLN H H 29 8.674 8.674 8.754 -0.080 17892 4197 1 14 . 1 1 30 30 THR N N 30 119.900 119.900 117.851 2.049 17892 4198 1 14 . 1 1 30 30 THR HA H 30 4.373 4.373 4.248 0.125 17892 4199 1 14 . 1 1 30 30 THR CA C 30 68.235 68.235 67.166 1.069 17892 4200 1 14 . 1 1 30 30 THR CB C 30 66.938 66.938 68.762 -1.824 17892 4201 1 14 . 1 1 30 30 THR H H 30 7.995 7.995 8.241 -0.246 17892 4202 1 14 . 1 1 31 31 ILE N N 31 119.083 119.083 122.490 -3.407 17892 4203 1 14 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.725 0.019 17892 4204 1 14 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.963 -1.647 17892 4205 1 14 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.564 -0.937 17892 4206 1 14 . 1 1 31 31 ILE H H 31 7.118 7.118 8.384 -1.266 17892 4207 1 14 . 1 1 32 32 ASN N N 32 118.406 118.406 119.299 -0.893 17892 4208 1 14 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.410 -0.084 17892 4209 1 14 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.389 0.228 17892 4210 1 14 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.327 1.169 17892 4211 1 14 . 1 1 32 32 ASN H H 32 8.533 8.533 9.232 -0.699 17892 4212 1 14 . 1 1 33 33 GLY N N 33 125.014 125.014 109.183 15.831 17892 4213 1 14 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.240 0.450 17892 4214 1 14 . 1 1 33 33 GLY H H 33 8.477 8.477 8.802 -0.325 17892 4215 1 14 . 1 1 34 34 ILE N N 34 122.677 122.677 123.124 -0.447 17892 4216 1 14 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.464 0.793 17892 4217 1 14 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.530 0.722 17892 4218 1 14 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.961 0.875 17892 4219 1 14 . 1 1 34 34 ILE H H 34 8.178 8.178 7.601 0.577 17892 4220 1 14 . 1 1 35 35 GLU N N 35 120.928 120.928 119.944 0.984 17892 4221 1 14 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.929 0.234 17892 4222 1 14 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.770 0.560 17892 4223 1 14 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.541 -0.139 17892 4224 1 14 . 1 1 35 35 GLU H H 35 8.537 8.537 8.685 -0.148 17892 4225 1 14 . 1 1 36 36 LYS N N 36 116.174 116.174 117.226 -1.052 17892 4226 1 14 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.225 0.245 17892 4227 1 14 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.552 0.477 17892 4228 1 14 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.008 0.481 17892 4229 1 14 . 1 1 36 36 LYS H H 36 7.978 7.978 8.673 -0.695 17892 4230 1 14 . 1 1 37 37 ASN N N 37 114.939 114.939 114.932 0.007 17892 4231 1 14 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.379 0.289 17892 4232 1 14 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.527 0.525 17892 4233 1 14 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.268 1.261 17892 4234 1 14 . 1 1 37 37 ASN H H 37 8.150 8.150 8.167 -0.017 17892 4235 1 14 . 1 1 38 38 LYS N N 38 115.469 115.469 117.371 -1.902 17892 4236 1 14 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.057 0.328 17892 4237 1 14 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.657 -1.897 17892 4238 1 14 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.164 0.429 17892 4239 1 14 . 1 1 38 38 LYS H H 38 8.586 8.586 8.391 0.195 17892 4240 1 14 . 1 1 39 39 TYR N N 39 117.011 117.011 113.836 3.175 17892 4241 1 14 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.783 -0.164 17892 4242 1 14 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.513 0.487 17892 4243 1 14 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.257 1.196 17892 4244 1 14 . 1 1 39 39 TYR H H 39 7.028 7.028 7.026 0.002 17892 4245 1 14 . 1 1 40 40 ASN N N 40 123.592 123.592 121.281 2.311 17892 4246 1 14 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.887 0.294 17892 4247 1 14 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.129 -0.894 17892 4248 1 14 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.326 -0.300 17892 4249 1 14 . 1 1 40 40 ASN H H 40 8.618 8.618 8.523 0.095 17892 4250 1 14 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.481 -0.717 17892 4251 1 14 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.474 0.574 17892 4252 1 14 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.141 -0.008 17892 4253 1 14 . 1 1 42 42 SER N N 42 125.240 125.240 115.606 9.634 17892 4254 1 14 . 1 1 42 42 SER HA H 42 4.530 4.530 4.329 0.201 17892 4255 1 14 . 1 1 42 42 SER CA C 42 58.052 58.052 57.676 0.376 17892 4256 1 14 . 1 1 42 42 SER CB C 42 64.643 64.643 63.758 0.885 17892 4257 1 14 . 1 1 42 42 SER H H 42 7.798 7.798 8.276 -0.478 17892 4258 1 14 . 1 1 43 43 LEU N N 43 121.149 121.149 125.990 -4.841 17892 4259 1 14 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.027 -0.162 17892 4260 1 14 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.601 0.250 17892 4261 1 14 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.740 -0.335 17892 4262 1 14 . 1 1 43 43 LEU H H 43 9.134 9.134 8.691 0.443 17892 4263 1 14 . 1 1 44 44 GLN N N 44 115.817 115.817 118.958 -3.141 17892 4264 1 14 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.093 -0.401 17892 4265 1 14 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.450 1.196 17892 4266 1 14 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.287 0.513 17892 4267 1 14 . 1 1 44 44 GLN H H 44 8.743 8.743 8.627 0.116 17892 4268 1 14 . 1 1 45 45 LEU N N 45 119.397 119.397 119.012 0.385 17892 4269 1 14 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.980 -0.092 17892 4270 1 14 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.545 -2.489 17892 4271 1 14 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.474 -0.297 17892 4272 1 14 . 1 1 45 45 LEU H H 45 7.895 7.895 8.028 -0.133 17892 4273 1 14 . 1 1 46 46 ALA N N 46 120.694 120.694 122.494 -1.800 17892 4274 1 14 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.001 -0.009 17892 4275 1 14 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.288 0.790 17892 4276 1 14 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.041 1.912 17892 4277 1 14 . 1 1 46 46 ALA H H 46 8.437 8.437 8.722 -0.285 17892 4278 1 14 . 1 1 47 47 LEU N N 47 116.298 116.298 118.897 -2.599 17892 4279 1 14 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.905 0.250 17892 4280 1 14 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.076 -0.025 17892 4281 1 14 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.571 1.012 17892 4282 1 14 . 1 1 47 47 LEU H H 47 8.552 8.552 8.948 -0.396 17892 4283 1 14 . 1 1 48 48 LYS N N 48 120.836 120.836 119.989 0.847 17892 4284 1 14 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.040 -0.517 17892 4285 1 14 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.210 0.252 17892 4286 1 14 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.434 0.701 17892 4287 1 14 . 1 1 48 48 LYS H H 48 7.863 7.863 8.485 -0.622 17892 4288 1 14 . 1 1 49 49 ILE N N 49 120.259 120.259 120.410 -0.151 17892 4289 1 14 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.829 -0.265 17892 4290 1 14 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.701 1.833 17892 4291 1 14 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.936 0.267 17892 4292 1 14 . 1 1 49 49 ILE H H 49 8.621 8.621 8.399 0.222 17892 4293 1 14 . 1 1 50 50 ALA N N 50 120.672 120.672 123.527 -2.855 17892 4294 1 14 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.141 -0.122 17892 4295 1 14 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.239 0.768 17892 4296 1 14 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.349 0.206 17892 4297 1 14 . 1 1 50 50 ALA H H 50 8.033 8.033 8.454 -0.421 17892 4298 1 14 . 1 1 51 51 TYR N N 51 117.393 117.393 120.589 -3.196 17892 4299 1 14 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.053 0.253 17892 4300 1 14 . 1 1 51 51 TYR CA C 51 61.927 61.927 61.864 0.063 17892 4301 1 14 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.539 0.233 17892 4302 1 14 . 1 1 51 51 TYR H H 51 8.108 8.108 8.876 -0.768 17892 4303 1 14 . 1 1 52 52 TYR N N 52 118.419 118.419 116.375 2.044 17892 4304 1 14 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.205 0.085 17892 4305 1 14 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.533 1.632 17892 4306 1 14 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.914 -0.886 17892 4307 1 14 . 1 1 52 52 TYR H H 52 8.891 8.891 8.548 0.343 17892 4308 1 14 . 1 1 53 53 LEU N N 53 115.657 115.657 117.483 -1.826 17892 4309 1 14 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.330 0.140 17892 4310 1 14 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.975 -0.355 17892 4311 1 14 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.954 -1.308 17892 4312 1 14 . 1 1 53 53 LEU H H 53 8.182 8.182 8.374 -0.192 17892 4313 1 14 . 1 1 54 54 ASN N N 54 122.127 122.127 116.854 5.273 17892 4314 1 14 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.370 0.038 17892 4315 1 14 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.051 0.117 17892 4316 1 14 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.136 1.031 17892 4317 1 14 . 1 1 54 54 ASN H H 54 8.048 8.048 7.589 0.459 17892 4318 1 14 . 1 1 55 55 THR N N 55 115.087 115.087 115.762 -0.675 17892 4319 1 14 . 1 1 55 55 THR HA H 55 4.902 4.902 4.736 0.166 17892 4320 1 14 . 1 1 55 55 THR CA C 55 60.449 60.449 60.072 0.377 17892 4321 1 14 . 1 1 55 55 THR CB C 55 75.269 75.269 70.314 4.955 17892 4322 1 14 . 1 1 55 55 THR H H 55 8.134 8.134 8.193 -0.059 17892 4323 1 14 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.476 0.113 17892 4324 1 14 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.553 0.592 17892 4325 1 14 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.464 0.017 17892 4326 1 14 . 1 1 57 57 LEU N N 57 127.729 127.729 126.735 0.994 17892 4327 1 14 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.142 -0.152 17892 4328 1 14 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.466 2.032 17892 4329 1 14 . 1 1 57 57 LEU CB C 57 42.043 42.043 41.923 0.120 17892 4330 1 14 . 1 1 57 57 LEU H H 57 9.788 9.788 8.569 1.219 17892 4331 1 14 . 1 1 58 58 GLU N N 58 123.764 123.764 119.292 4.472 17892 4332 1 14 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.290 0.544 17892 4333 1 14 . 1 1 58 58 GLU CA C 58 59.038 59.038 59.162 -0.124 17892 4334 1 14 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.874 0.734 17892 4335 1 14 . 1 1 58 58 GLU H H 58 9.188 9.188 8.670 0.518 17892 4336 1 14 . 1 1 59 59 ASP N N 59 117.867 117.867 116.493 1.374 17892 4337 1 14 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.423 0.178 17892 4338 1 14 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.298 -0.125 17892 4339 1 14 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.732 -0.191 17892 4340 1 14 . 1 1 59 59 ASP H H 59 7.910 7.910 7.895 0.015 17892 4341 1 14 . 1 1 60 60 ILE N N 60 119.503 119.503 116.734 2.769 17892 4342 1 14 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.662 -0.151 17892 4343 1 14 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.662 0.685 17892 4344 1 14 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.615 1.351 17892 4345 1 14 . 1 1 60 60 ILE H H 60 8.104 8.104 7.274 0.830 17892 4346 1 14 . 1 1 61 61 PHE N N 61 116.398 116.398 116.955 -0.557 17892 4347 1 14 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.585 -0.125 17892 4348 1 14 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.776 0.232 17892 4349 1 14 . 1 1 61 61 PHE CB C 61 42.831 42.831 41.570 1.261 17892 4350 1 14 . 1 1 61 61 PHE H H 61 8.463 8.463 8.741 -0.278 17892 4351 1 14 . 1 1 62 62 GLN N N 62 117.212 117.212 120.539 -3.327 17892 4352 1 14 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.795 0.206 17892 4353 1 14 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.968 0.611 17892 4354 1 14 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.924 0.454 17892 4355 1 14 . 1 1 62 62 GLN H H 62 8.572 8.572 8.946 -0.374 17892 4356 1 14 . 1 1 63 63 TRP N N 63 125.622 125.622 128.472 -2.850 17892 4357 1 14 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.897 0.279 17892 4358 1 14 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.463 -0.311 17892 4359 1 14 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.149 1.105 17892 4360 1 14 . 1 1 63 63 TRP H H 63 9.278 9.278 8.870 0.408 17892 4361 1 14 . 1 1 64 64 GLN N N 64 126.649 126.649 127.715 -1.066 17892 4362 1 14 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.490 -0.284 17892 4363 1 14 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.601 -0.714 17892 4364 1 14 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.508 1.656 17892 4365 1 14 . 1 1 64 64 GLN H H 64 7.841 7.841 8.694 -0.853 17892 4366 1 14 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.427 1.179 17892 4367 1 14 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.967 -0.865 17892 4368 1 14 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.158 -0.108 17892 4369 1 15 . 1 1 2 2 ILE N N 2 123.730 123.730 121.276 2.454 17892 4370 1 15 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.710 0.277 17892 4371 1 15 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.179 0.151 17892 4372 1 15 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.006 0.571 17892 4373 1 15 . 1 1 2 2 ILE H H 2 8.813 8.813 7.605 1.208 17892 4374 1 15 . 1 1 3 3 ILE N N 3 129.451 129.451 129.214 0.237 17892 4375 1 15 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.108 0.206 17892 4376 1 15 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.354 0.358 17892 4377 1 15 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.001 -0.144 17892 4378 1 15 . 1 1 3 3 ILE H H 3 9.355 9.355 9.350 0.005 17892 4379 1 15 . 1 1 4 4 ASN N N 4 124.242 124.242 126.458 -2.216 17892 4380 1 15 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.168 0.282 17892 4381 1 15 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.237 -0.497 17892 4382 1 15 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.164 2.394 17892 4383 1 15 . 1 1 4 4 ASN H H 4 8.823 8.823 8.850 -0.027 17892 4384 1 15 . 1 1 5 5 ASN N N 5 121.916 121.916 123.862 -1.946 17892 4385 1 15 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.817 0.563 17892 4386 1 15 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.984 -0.963 17892 4387 1 15 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.770 1.367 17892 4388 1 15 . 1 1 5 5 ASN H H 5 9.356 9.356 9.149 0.207 17892 4389 1 15 . 1 1 6 6 LEU N N 6 120.873 120.873 123.613 -2.740 17892 4390 1 15 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.811 -0.069 17892 4391 1 15 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.323 0.782 17892 4392 1 15 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.596 -0.241 17892 4393 1 15 . 1 1 6 6 LEU H H 6 8.419 8.419 9.223 -0.804 17892 4394 1 15 . 1 1 7 7 LYS N N 7 118.232 118.232 117.958 0.274 17892 4395 1 15 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.176 -0.291 17892 4396 1 15 . 1 1 7 7 LYS CA C 7 60.857 60.857 58.983 1.874 17892 4397 1 15 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.882 1.971 17892 4398 1 15 . 1 1 7 7 LYS H H 7 8.820 8.820 8.166 0.654 17892 4399 1 15 . 1 1 8 8 LEU N N 8 116.679 116.679 121.000 -4.321 17892 4400 1 15 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.078 0.036 17892 4401 1 15 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.388 0.830 17892 4402 1 15 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.879 0.699 17892 4403 1 15 . 1 1 8 8 LEU H H 8 7.443 7.443 7.527 -0.084 17892 4404 1 15 . 1 1 9 9 ILE N N 9 119.043 119.043 119.451 -0.408 17892 4405 1 15 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.533 0.246 17892 4406 1 15 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.908 -2.502 17892 4407 1 15 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.711 -0.785 17892 4408 1 15 . 1 1 9 9 ILE H H 9 8.133 8.133 8.876 -0.743 17892 4409 1 15 . 1 1 10 10 ARG N N 10 120.200 120.200 120.752 -0.552 17892 4410 1 15 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.820 0.022 17892 4411 1 15 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.187 1.091 17892 4412 1 15 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.071 -1.037 17892 4413 1 15 . 1 1 10 10 ARG H H 10 9.128 9.128 8.963 0.165 17892 4414 1 15 . 1 1 11 11 GLU N N 11 116.457 116.457 118.314 -1.857 17892 4415 1 15 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.063 0.051 17892 4416 1 15 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.899 1.037 17892 4417 1 15 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.139 0.325 17892 4418 1 15 . 1 1 11 11 GLU H H 11 8.555 8.555 8.153 0.402 17892 4419 1 15 . 1 1 12 12 LYS N N 12 122.500 122.500 118.713 3.787 17892 4420 1 15 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.024 0.139 17892 4421 1 15 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.651 1.315 17892 4422 1 15 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.584 -0.036 17892 4423 1 15 . 1 1 12 12 LYS H H 12 8.169 8.169 7.795 0.374 17892 4424 1 15 . 1 1 13 13 LYS N N 13 116.690 116.690 115.860 0.830 17892 4425 1 15 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.154 0.111 17892 4426 1 15 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.582 -0.962 17892 4427 1 15 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.638 -0.539 17892 4428 1 15 . 1 1 13 13 LYS H H 13 7.748 7.748 8.165 -0.417 17892 4429 1 15 . 1 1 14 14 LYS N N 14 115.251 115.251 114.007 1.244 17892 4430 1 15 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.875 0.039 17892 4431 1 15 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.006 0.461 17892 4432 1 15 . 1 1 14 14 LYS CB C 14 28.915 28.915 29.918 -1.003 17892 4433 1 15 . 1 1 14 14 LYS H H 14 7.978 7.978 8.302 -0.324 17892 4434 1 15 . 1 1 15 15 ILE N N 15 118.640 118.640 120.637 -1.997 17892 4435 1 15 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.262 0.305 17892 4436 1 15 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.437 0.184 17892 4437 1 15 . 1 1 15 15 ILE CB C 15 41.173 41.173 39.733 1.440 17892 4438 1 15 . 1 1 15 15 ILE H H 15 7.508 7.508 7.442 0.066 17892 4439 1 15 . 1 1 16 16 SER N N 16 124.827 124.827 124.025 0.802 17892 4440 1 15 . 1 1 16 16 SER HA H 16 4.559 4.559 4.505 0.054 17892 4441 1 15 . 1 1 16 16 SER CA C 16 57.422 57.422 58.958 -1.536 17892 4442 1 15 . 1 1 16 16 SER CB C 16 65.249 65.249 63.537 1.712 17892 4443 1 15 . 1 1 16 16 SER H H 16 9.220 9.220 9.713 -0.493 17892 4444 1 15 . 1 1 17 17 GLN N N 17 120.457 120.457 124.618 -4.161 17892 4445 1 15 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.940 -0.189 17892 4446 1 15 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.434 1.843 17892 4447 1 15 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.400 1.201 17892 4448 1 15 . 1 1 17 17 GLN H H 17 9.364 9.364 8.996 0.368 17892 4449 1 15 . 1 1 18 18 SER N N 18 112.796 112.796 116.052 -3.256 17892 4450 1 15 . 1 1 18 18 SER HA H 18 4.739 4.739 4.057 0.682 17892 4451 1 15 . 1 1 18 18 SER CA C 18 63.145 63.145 61.546 1.599 17892 4452 1 15 . 1 1 18 18 SER CB C 18 65.724 65.724 62.443 3.281 17892 4453 1 15 . 1 1 18 18 SER H H 18 8.680 8.680 8.682 -0.002 17892 4454 1 15 . 1 1 19 19 GLU N N 19 124.363 124.363 121.967 2.396 17892 4455 1 15 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.125 -0.055 17892 4456 1 15 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.683 0.627 17892 4457 1 15 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.079 1.112 17892 4458 1 15 . 1 1 19 19 GLU H H 19 8.145 8.145 8.182 -0.037 17892 4459 1 15 . 1 1 20 20 LEU N N 20 119.741 119.741 122.053 -2.312 17892 4460 1 15 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.930 0.170 17892 4461 1 15 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.749 0.358 17892 4462 1 15 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.482 0.073 17892 4463 1 15 . 1 1 20 20 LEU H H 20 8.161 8.161 8.322 -0.161 17892 4464 1 15 . 1 1 21 21 ALA N N 21 119.970 119.970 121.558 -1.588 17892 4465 1 15 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.940 -0.251 17892 4466 1 15 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.226 0.594 17892 4467 1 15 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.954 -0.556 17892 4468 1 15 . 1 1 21 21 ALA H H 21 8.436 8.436 8.907 -0.471 17892 4469 1 15 . 1 1 22 22 ALA N N 22 117.873 117.873 121.814 -3.941 17892 4470 1 15 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.004 0.200 17892 4471 1 15 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.713 0.348 17892 4472 1 15 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.457 -0.223 17892 4473 1 15 . 1 1 22 22 ALA H H 22 7.709 7.709 7.736 -0.027 17892 4474 1 15 . 1 1 23 23 LEU N N 23 118.771 118.771 118.483 0.288 17892 4475 1 15 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.549 0.366 17892 4476 1 15 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.357 0.293 17892 4477 1 15 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.158 0.776 17892 4478 1 15 . 1 1 23 23 LEU H H 23 7.543 7.543 8.163 -0.620 17892 4479 1 15 . 1 1 24 24 LEU N N 24 114.703 114.703 114.463 0.240 17892 4480 1 15 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.404 -0.142 17892 4481 1 15 . 1 1 24 24 LEU CA C 24 55.851 55.851 54.695 1.156 17892 4482 1 15 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.483 2.500 17892 4483 1 15 . 1 1 24 24 LEU H H 24 7.430 7.430 8.210 -0.780 17892 4484 1 15 . 1 1 25 25 GLU N N 25 115.450 115.450 115.506 -0.056 17892 4485 1 15 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.008 -0.102 17892 4486 1 15 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.377 0.409 17892 4487 1 15 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.535 0.008 17892 4488 1 15 . 1 1 25 25 GLU H H 25 7.987 7.987 7.720 0.267 17892 4489 1 15 . 1 1 26 26 VAL N N 26 110.029 110.029 112.066 -2.037 17892 4490 1 15 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.614 0.226 17892 4491 1 15 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.363 -0.532 17892 4492 1 15 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.333 0.256 17892 4493 1 15 . 1 1 26 26 VAL H H 26 7.908 7.908 8.151 -0.243 17892 4494 1 15 . 1 1 27 27 SER N N 27 114.372 114.372 115.034 -0.662 17892 4495 1 15 . 1 1 27 27 SER HA H 27 4.761 4.761 4.668 0.093 17892 4496 1 15 . 1 1 27 27 SER CA C 27 56.661 56.661 57.437 -0.776 17892 4497 1 15 . 1 1 27 27 SER CB C 27 62.712 62.712 64.747 -2.035 17892 4498 1 15 . 1 1 27 27 SER H H 27 8.401 8.401 8.017 0.384 17892 4499 1 15 . 1 1 28 28 ARG N N 28 115.199 115.199 121.899 -6.700 17892 4500 1 15 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.998 -0.268 17892 4501 1 15 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.587 -0.209 17892 4502 1 15 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.898 -0.298 17892 4503 1 15 . 1 1 28 28 ARG H H 28 8.150 8.150 9.027 -0.877 17892 4504 1 15 . 1 1 29 29 GLN N N 29 117.559 117.559 117.783 -0.224 17892 4505 1 15 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.099 0.013 17892 4506 1 15 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.484 0.151 17892 4507 1 15 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.181 -0.063 17892 4508 1 15 . 1 1 29 29 GLN H H 29 8.674 8.674 8.843 -0.169 17892 4509 1 15 . 1 1 30 30 THR N N 30 119.900 119.900 117.638 2.262 17892 4510 1 15 . 1 1 30 30 THR HA H 30 4.373 4.373 4.272 0.101 17892 4511 1 15 . 1 1 30 30 THR CA C 30 68.235 68.235 66.385 1.851 17892 4512 1 15 . 1 1 30 30 THR CB C 30 66.938 66.938 68.622 -1.684 17892 4513 1 15 . 1 1 30 30 THR H H 30 7.995 7.995 7.867 0.128 17892 4514 1 15 . 1 1 31 31 ILE N N 31 119.083 119.083 123.316 -4.233 17892 4515 1 15 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.770 -0.026 17892 4516 1 15 . 1 1 31 31 ILE CA C 31 62.316 62.316 64.044 -1.728 17892 4517 1 15 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.503 -0.876 17892 4518 1 15 . 1 1 31 31 ILE H H 31 7.118 7.118 8.447 -1.329 17892 4519 1 15 . 1 1 32 32 ASN N N 32 118.406 118.406 119.416 -1.010 17892 4520 1 15 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.467 -0.141 17892 4521 1 15 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.386 0.231 17892 4522 1 15 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.301 1.194 17892 4523 1 15 . 1 1 32 32 ASN H H 32 8.533 8.533 9.255 -0.722 17892 4524 1 15 . 1 1 33 33 GLY N N 33 125.014 125.014 109.349 15.665 17892 4525 1 15 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.309 0.381 17892 4526 1 15 . 1 1 33 33 GLY H H 33 8.477 8.477 8.940 -0.463 17892 4527 1 15 . 1 1 34 34 ILE N N 34 122.677 122.677 123.218 -0.541 17892 4528 1 15 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.694 0.563 17892 4529 1 15 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.427 0.825 17892 4530 1 15 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.929 0.907 17892 4531 1 15 . 1 1 34 34 ILE H H 34 8.178 8.178 7.852 0.326 17892 4532 1 15 . 1 1 35 35 GLU N N 35 120.928 120.928 119.925 1.003 17892 4533 1 15 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.952 0.211 17892 4534 1 15 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.584 0.746 17892 4535 1 15 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.624 -0.222 17892 4536 1 15 . 1 1 35 35 GLU H H 35 8.537 8.537 8.706 -0.169 17892 4537 1 15 . 1 1 36 36 LYS N N 36 116.174 116.174 116.669 -0.495 17892 4538 1 15 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.249 0.221 17892 4539 1 15 . 1 1 36 36 LYS CA C 36 56.029 56.029 54.490 1.539 17892 4540 1 15 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.396 1.093 17892 4541 1 15 . 1 1 36 36 LYS H H 36 7.978 7.978 8.818 -0.840 17892 4542 1 15 . 1 1 37 37 ASN N N 37 114.939 114.939 114.707 0.232 17892 4543 1 15 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.401 0.267 17892 4544 1 15 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.438 0.613 17892 4545 1 15 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.253 1.276 17892 4546 1 15 . 1 1 37 37 ASN H H 37 8.150 8.150 8.138 0.012 17892 4547 1 15 . 1 1 38 38 LYS N N 38 115.469 115.469 117.634 -2.165 17892 4548 1 15 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.068 0.317 17892 4549 1 15 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.835 -2.075 17892 4550 1 15 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.219 0.374 17892 4551 1 15 . 1 1 38 38 LYS H H 38 8.586 8.586 8.458 0.128 17892 4552 1 15 . 1 1 39 39 TYR N N 39 117.011 117.011 113.097 3.914 17892 4553 1 15 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.733 -0.114 17892 4554 1 15 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.545 0.455 17892 4555 1 15 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.178 1.274 17892 4556 1 15 . 1 1 39 39 TYR H H 39 7.028 7.028 7.129 -0.101 17892 4557 1 15 . 1 1 40 40 ASN N N 40 123.592 123.592 119.586 4.006 17892 4558 1 15 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.886 0.295 17892 4559 1 15 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.496 -0.261 17892 4560 1 15 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.050 -0.024 17892 4561 1 15 . 1 1 40 40 ASN H H 40 8.618 8.618 8.509 0.109 17892 4562 1 15 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.476 -0.712 17892 4563 1 15 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.743 0.305 17892 4564 1 15 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.130 0.003 17892 4565 1 15 . 1 1 42 42 SER N N 42 125.240 125.240 116.036 9.204 17892 4566 1 15 . 1 1 42 42 SER HA H 42 4.530 4.530 4.259 0.271 17892 4567 1 15 . 1 1 42 42 SER CA C 42 58.052 58.052 58.581 -0.529 17892 4568 1 15 . 1 1 42 42 SER CB C 42 64.643 64.643 63.846 0.797 17892 4569 1 15 . 1 1 42 42 SER H H 42 7.798 7.798 8.198 -0.400 17892 4570 1 15 . 1 1 43 43 LEU N N 43 121.149 121.149 124.810 -3.661 17892 4571 1 15 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.045 -0.180 17892 4572 1 15 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.587 0.264 17892 4573 1 15 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.606 -0.201 17892 4574 1 15 . 1 1 43 43 LEU H H 43 9.134 9.134 8.726 0.408 17892 4575 1 15 . 1 1 44 44 GLN N N 44 115.817 115.817 118.921 -3.104 17892 4576 1 15 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.100 -0.408 17892 4577 1 15 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.318 1.327 17892 4578 1 15 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.361 0.439 17892 4579 1 15 . 1 1 44 44 GLN H H 44 8.743 8.743 8.620 0.123 17892 4580 1 15 . 1 1 45 45 LEU N N 45 119.397 119.397 118.996 0.401 17892 4581 1 15 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.069 -0.181 17892 4582 1 15 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.971 -2.915 17892 4583 1 15 . 1 1 45 45 LEU CB C 45 41.177 41.177 40.756 0.421 17892 4584 1 15 . 1 1 45 45 LEU H H 45 7.895 7.895 8.027 -0.132 17892 4585 1 15 . 1 1 46 46 ALA N N 46 120.694 120.694 122.472 -1.778 17892 4586 1 15 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.147 -0.155 17892 4587 1 15 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.387 0.691 17892 4588 1 15 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.238 1.715 17892 4589 1 15 . 1 1 46 46 ALA H H 46 8.437 8.437 8.772 -0.335 17892 4590 1 15 . 1 1 47 47 LEU N N 47 116.298 116.298 118.881 -2.583 17892 4591 1 15 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.903 0.252 17892 4592 1 15 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.063 -0.012 17892 4593 1 15 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.572 1.011 17892 4594 1 15 . 1 1 47 47 LEU H H 47 8.552 8.552 8.777 -0.225 17892 4595 1 15 . 1 1 48 48 LYS N N 48 120.836 120.836 120.465 0.371 17892 4596 1 15 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.917 -0.394 17892 4597 1 15 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.122 0.340 17892 4598 1 15 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.466 0.669 17892 4599 1 15 . 1 1 48 48 LYS H H 48 7.863 7.863 8.232 -0.369 17892 4600 1 15 . 1 1 49 49 ILE N N 49 120.259 120.259 120.100 0.159 17892 4601 1 15 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.873 -0.309 17892 4602 1 15 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.316 2.218 17892 4603 1 15 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.845 0.358 17892 4604 1 15 . 1 1 49 49 ILE H H 49 8.621 8.621 8.148 0.473 17892 4605 1 15 . 1 1 50 50 ALA N N 50 120.672 120.672 123.675 -3.003 17892 4606 1 15 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.189 -0.170 17892 4607 1 15 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.075 0.932 17892 4608 1 15 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.374 0.181 17892 4609 1 15 . 1 1 50 50 ALA H H 50 8.033 8.033 8.166 -0.133 17892 4610 1 15 . 1 1 51 51 TYR N N 51 117.393 117.393 120.398 -3.005 17892 4611 1 15 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.026 0.280 17892 4612 1 15 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.202 -0.275 17892 4613 1 15 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.522 0.251 17892 4614 1 15 . 1 1 51 51 TYR H H 51 8.108 8.108 8.639 -0.531 17892 4615 1 15 . 1 1 52 52 TYR N N 52 118.419 118.419 118.226 0.193 17892 4616 1 15 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.238 0.052 17892 4617 1 15 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.807 1.357 17892 4618 1 15 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.819 -0.791 17892 4619 1 15 . 1 1 52 52 TYR H H 52 8.891 8.891 8.802 0.089 17892 4620 1 15 . 1 1 53 53 LEU N N 53 115.657 115.657 116.594 -0.937 17892 4621 1 15 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.391 0.079 17892 4622 1 15 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.920 -0.300 17892 4623 1 15 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.846 -1.200 17892 4624 1 15 . 1 1 53 53 LEU H H 53 8.182 8.182 8.585 -0.403 17892 4625 1 15 . 1 1 54 54 ASN N N 54 122.127 122.127 114.130 7.997 17892 4626 1 15 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.295 0.113 17892 4627 1 15 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.105 0.063 17892 4628 1 15 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.121 1.046 17892 4629 1 15 . 1 1 54 54 ASN H H 54 8.048 8.048 7.997 0.051 17892 4630 1 15 . 1 1 55 55 THR N N 55 115.087 115.087 115.590 -0.503 17892 4631 1 15 . 1 1 55 55 THR HA H 55 4.902 4.902 4.777 0.125 17892 4632 1 15 . 1 1 55 55 THR CA C 55 60.449 60.449 60.084 0.365 17892 4633 1 15 . 1 1 55 55 THR CB C 55 75.269 75.269 69.916 5.353 17892 4634 1 15 . 1 1 55 55 THR H H 55 8.134 8.134 7.961 0.173 17892 4635 1 15 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.473 0.116 17892 4636 1 15 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.819 0.326 17892 4637 1 15 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.342 0.139 17892 4638 1 15 . 1 1 57 57 LEU N N 57 127.729 127.729 127.048 0.681 17892 4639 1 15 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.081 -0.091 17892 4640 1 15 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.828 1.671 17892 4641 1 15 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.193 -0.150 17892 4642 1 15 . 1 1 57 57 LEU H H 57 9.788 9.788 8.574 1.214 17892 4643 1 15 . 1 1 58 58 GLU N N 58 123.764 123.764 119.467 4.297 17892 4644 1 15 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.342 0.492 17892 4645 1 15 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.881 0.157 17892 4646 1 15 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.902 0.706 17892 4647 1 15 . 1 1 58 58 GLU H H 58 9.188 9.188 8.639 0.548 17892 4648 1 15 . 1 1 59 59 ASP N N 59 117.867 117.867 117.795 0.072 17892 4649 1 15 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.411 0.190 17892 4650 1 15 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.157 0.016 17892 4651 1 15 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.573 -0.032 17892 4652 1 15 . 1 1 59 59 ASP H H 59 7.910 7.910 8.242 -0.332 17892 4653 1 15 . 1 1 60 60 ILE N N 60 119.503 119.503 117.382 2.121 17892 4654 1 15 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.620 -0.109 17892 4655 1 15 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.684 0.663 17892 4656 1 15 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.391 1.575 17892 4657 1 15 . 1 1 60 60 ILE H H 60 8.104 8.104 7.035 1.069 17892 4658 1 15 . 1 1 61 61 PHE N N 61 116.398 116.398 117.731 -1.333 17892 4659 1 15 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.613 -0.153 17892 4660 1 15 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.260 0.749 17892 4661 1 15 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.090 2.741 17892 4662 1 15 . 1 1 61 61 PHE H H 61 8.463 8.463 8.659 -0.196 17892 4663 1 15 . 1 1 62 62 GLN N N 62 117.212 117.212 121.241 -4.029 17892 4664 1 15 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.855 0.146 17892 4665 1 15 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.566 1.013 17892 4666 1 15 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.335 1.043 17892 4667 1 15 . 1 1 62 62 GLN H H 62 8.572 8.572 9.070 -0.499 17892 4668 1 15 . 1 1 63 63 TRP N N 63 125.622 125.622 129.548 -3.926 17892 4669 1 15 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.960 0.216 17892 4670 1 15 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.699 -0.547 17892 4671 1 15 . 1 1 63 63 TRP CB C 63 31.254 31.254 29.855 1.399 17892 4672 1 15 . 1 1 63 63 TRP H H 63 9.278 9.278 9.008 0.270 17892 4673 1 15 . 1 1 64 64 GLN N N 64 126.649 126.649 127.206 -0.557 17892 4674 1 15 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.545 -0.339 17892 4675 1 15 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.816 -0.929 17892 4676 1 15 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.596 1.568 17892 4677 1 15 . 1 1 64 64 GLN H H 64 7.841 7.841 8.945 -1.104 17892 4678 1 15 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.845 0.761 17892 4679 1 15 . 1 1 65 65 PRO CA C 65 62.102 62.102 64.231 -2.129 17892 4680 1 15 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.677 0.373 17892 4681 1 16 . 1 1 2 2 ILE N N 2 123.730 123.730 120.197 3.533 17892 4682 1 16 . 1 1 2 2 ILE HA H 2 4.987 4.987 5.006 -0.019 17892 4683 1 16 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.529 -0.199 17892 4684 1 16 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.083 0.494 17892 4685 1 16 . 1 1 2 2 ILE H H 2 8.813 8.813 8.340 0.473 17892 4686 1 16 . 1 1 3 3 ILE N N 3 129.451 129.451 128.838 0.613 17892 4687 1 16 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.175 0.139 17892 4688 1 16 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.762 -0.050 17892 4689 1 16 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.354 -0.497 17892 4690 1 16 . 1 1 3 3 ILE H H 3 9.355 9.355 9.284 0.071 17892 4691 1 16 . 1 1 4 4 ASN N N 4 124.242 124.242 126.586 -2.344 17892 4692 1 16 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.939 0.511 17892 4693 1 16 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.266 -0.525 17892 4694 1 16 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.130 2.428 17892 4695 1 16 . 1 1 4 4 ASN H H 4 8.823 8.823 8.897 -0.074 17892 4696 1 16 . 1 1 5 5 ASN N N 5 121.916 121.916 123.804 -1.888 17892 4697 1 16 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.838 0.542 17892 4698 1 16 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.796 -0.775 17892 4699 1 16 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.287 0.850 17892 4700 1 16 . 1 1 5 5 ASN H H 5 9.356 9.356 9.020 0.336 17892 4701 1 16 . 1 1 6 6 LEU N N 6 120.873 120.873 123.145 -2.272 17892 4702 1 16 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.818 -0.076 17892 4703 1 16 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.438 0.667 17892 4704 1 16 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.517 -0.162 17892 4705 1 16 . 1 1 6 6 LEU H H 6 8.419 8.419 9.198 -0.779 17892 4706 1 16 . 1 1 7 7 LYS N N 7 118.232 118.232 118.310 -0.078 17892 4707 1 16 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.959 -0.074 17892 4708 1 16 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.298 1.559 17892 4709 1 16 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.049 1.804 17892 4710 1 16 . 1 1 7 7 LYS H H 7 8.820 8.820 8.396 0.424 17892 4711 1 16 . 1 1 8 8 LEU N N 8 116.679 116.679 120.982 -4.303 17892 4712 1 16 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.076 0.038 17892 4713 1 16 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.377 0.841 17892 4714 1 16 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.914 0.664 17892 4715 1 16 . 1 1 8 8 LEU H H 8 7.443 7.443 7.623 -0.180 17892 4716 1 16 . 1 1 9 9 ILE N N 9 119.043 119.043 119.135 -0.092 17892 4717 1 16 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.553 0.226 17892 4718 1 16 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.365 -1.959 17892 4719 1 16 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.581 -0.656 17892 4720 1 16 . 1 1 9 9 ILE H H 9 8.133 8.133 8.814 -0.681 17892 4721 1 16 . 1 1 10 10 ARG N N 10 120.200 120.200 120.464 -0.264 17892 4722 1 16 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.884 -0.042 17892 4723 1 16 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.148 1.129 17892 4724 1 16 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.052 -1.018 17892 4725 1 16 . 1 1 10 10 ARG H H 10 9.128 9.128 8.942 0.186 17892 4726 1 16 . 1 1 11 11 GLU N N 11 116.457 116.457 118.295 -1.838 17892 4727 1 16 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.073 0.041 17892 4728 1 16 . 1 1 11 11 GLU CA C 11 59.936 59.936 59.044 0.892 17892 4729 1 16 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.949 0.515 17892 4730 1 16 . 1 1 11 11 GLU H H 11 8.555 8.555 8.123 0.432 17892 4731 1 16 . 1 1 12 12 LYS N N 12 122.500 122.500 120.772 1.728 17892 4732 1 16 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.058 0.105 17892 4733 1 16 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.220 0.746 17892 4734 1 16 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.501 0.047 17892 4735 1 16 . 1 1 12 12 LYS H H 12 8.169 8.169 7.691 0.478 17892 4736 1 16 . 1 1 13 13 LYS N N 13 116.690 116.690 115.515 1.175 17892 4737 1 16 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.295 -0.030 17892 4738 1 16 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.392 0.228 17892 4739 1 16 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.375 -0.276 17892 4740 1 16 . 1 1 13 13 LYS H H 13 7.748 7.748 7.970 -0.222 17892 4741 1 16 . 1 1 14 14 LYS N N 14 115.251 115.251 115.687 -0.436 17892 4742 1 16 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.895 0.019 17892 4743 1 16 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.310 0.157 17892 4744 1 16 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.508 -1.593 17892 4745 1 16 . 1 1 14 14 LYS H H 14 7.978 7.978 7.940 0.038 17892 4746 1 16 . 1 1 15 15 ILE N N 15 118.640 118.640 120.382 -1.742 17892 4747 1 16 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.171 0.396 17892 4748 1 16 . 1 1 15 15 ILE CA C 15 59.621 59.621 60.272 -0.651 17892 4749 1 16 . 1 1 15 15 ILE CB C 15 41.173 41.173 39.415 1.758 17892 4750 1 16 . 1 1 15 15 ILE H H 15 7.508 7.508 7.845 -0.337 17892 4751 1 16 . 1 1 16 16 SER N N 16 124.827 124.827 123.252 1.575 17892 4752 1 16 . 1 1 16 16 SER HA H 16 4.559 4.559 4.583 -0.024 17892 4753 1 16 . 1 1 16 16 SER CA C 16 57.422 57.422 59.054 -1.632 17892 4754 1 16 . 1 1 16 16 SER CB C 16 65.249 65.249 63.883 1.366 17892 4755 1 16 . 1 1 16 16 SER H H 16 9.220 9.220 9.744 -0.524 17892 4756 1 16 . 1 1 17 17 GLN N N 17 120.457 120.457 125.010 -4.553 17892 4757 1 16 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.920 -0.169 17892 4758 1 16 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.672 1.605 17892 4759 1 16 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.204 1.397 17892 4760 1 16 . 1 1 17 17 GLN H H 17 9.364 9.364 8.984 0.380 17892 4761 1 16 . 1 1 18 18 SER N N 18 112.796 112.796 115.873 -3.077 17892 4762 1 16 . 1 1 18 18 SER HA H 18 4.739 4.739 4.053 0.686 17892 4763 1 16 . 1 1 18 18 SER CA C 18 63.145 63.145 61.178 1.967 17892 4764 1 16 . 1 1 18 18 SER CB C 18 65.724 65.724 62.338 3.386 17892 4765 1 16 . 1 1 18 18 SER H H 18 8.680 8.680 8.708 -0.028 17892 4766 1 16 . 1 1 19 19 GLU N N 19 124.363 124.363 122.572 1.791 17892 4767 1 16 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.122 -0.052 17892 4768 1 16 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.645 0.665 17892 4769 1 16 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.011 1.180 17892 4770 1 16 . 1 1 19 19 GLU H H 19 8.145 8.145 8.212 -0.067 17892 4771 1 16 . 1 1 20 20 LEU N N 20 119.741 119.741 122.007 -2.266 17892 4772 1 16 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.913 0.187 17892 4773 1 16 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.781 0.326 17892 4774 1 16 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.512 0.043 17892 4775 1 16 . 1 1 20 20 LEU H H 20 8.161 8.161 8.439 -0.278 17892 4776 1 16 . 1 1 21 21 ALA N N 21 119.970 119.970 121.763 -1.793 17892 4777 1 16 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.902 -0.213 17892 4778 1 16 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.249 0.571 17892 4779 1 16 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.922 -0.524 17892 4780 1 16 . 1 1 21 21 ALA H H 21 8.436 8.436 8.949 -0.513 17892 4781 1 16 . 1 1 22 22 ALA N N 22 117.873 117.873 121.568 -3.695 17892 4782 1 16 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.001 0.203 17892 4783 1 16 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.692 0.369 17892 4784 1 16 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.507 -0.272 17892 4785 1 16 . 1 1 22 22 ALA H H 22 7.709 7.709 7.940 -0.231 17892 4786 1 16 . 1 1 23 23 LEU N N 23 118.771 118.771 118.317 0.454 17892 4787 1 16 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.570 0.345 17892 4788 1 16 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.185 0.465 17892 4789 1 16 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.881 1.053 17892 4790 1 16 . 1 1 23 23 LEU H H 23 7.543 7.543 7.718 -0.175 17892 4791 1 16 . 1 1 24 24 LEU N N 24 114.703 114.703 118.311 -3.608 17892 4792 1 16 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.149 0.113 17892 4793 1 16 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.265 -1.414 17892 4794 1 16 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.169 1.814 17892 4795 1 16 . 1 1 24 24 LEU H H 24 7.430 7.430 8.559 -1.129 17892 4796 1 16 . 1 1 25 25 GLU N N 25 115.450 115.450 114.824 0.626 17892 4797 1 16 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.994 -0.088 17892 4798 1 16 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.210 0.576 17892 4799 1 16 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.355 0.188 17892 4800 1 16 . 1 1 25 25 GLU H H 25 7.987 7.987 8.559 -0.572 17892 4801 1 16 . 1 1 26 26 VAL N N 26 110.029 110.029 111.555 -1.526 17892 4802 1 16 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.645 0.195 17892 4803 1 16 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.405 -0.574 17892 4804 1 16 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.607 -0.018 17892 4805 1 16 . 1 1 26 26 VAL H H 26 7.908 7.908 8.018 -0.110 17892 4806 1 16 . 1 1 27 27 SER N N 27 114.372 114.372 115.132 -0.760 17892 4807 1 16 . 1 1 27 27 SER HA H 27 4.761 4.761 4.713 0.048 17892 4808 1 16 . 1 1 27 27 SER CA C 27 56.661 56.661 57.208 -0.547 17892 4809 1 16 . 1 1 27 27 SER CB C 27 62.712 62.712 65.196 -2.484 17892 4810 1 16 . 1 1 27 27 SER H H 27 8.401 8.401 8.155 0.246 17892 4811 1 16 . 1 1 28 28 ARG N N 28 115.199 115.199 121.856 -6.657 17892 4812 1 16 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.964 -0.234 17892 4813 1 16 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.744 -0.366 17892 4814 1 16 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.873 -0.273 17892 4815 1 16 . 1 1 28 28 ARG H H 28 8.150 8.150 9.026 -0.876 17892 4816 1 16 . 1 1 29 29 GLN N N 29 117.559 117.559 117.321 0.238 17892 4817 1 16 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.121 -0.009 17892 4818 1 16 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.413 0.222 17892 4819 1 16 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.130 -0.012 17892 4820 1 16 . 1 1 29 29 GLN H H 29 8.674 8.674 8.799 -0.125 17892 4821 1 16 . 1 1 30 30 THR N N 30 119.900 119.900 117.459 2.441 17892 4822 1 16 . 1 1 30 30 THR HA H 30 4.373 4.373 4.315 0.058 17892 4823 1 16 . 1 1 30 30 THR CA C 30 68.235 68.235 66.593 1.642 17892 4824 1 16 . 1 1 30 30 THR CB C 30 66.938 66.938 68.630 -1.692 17892 4825 1 16 . 1 1 30 30 THR H H 30 7.995 7.995 7.727 0.268 17892 4826 1 16 . 1 1 31 31 ILE N N 31 119.083 119.083 123.054 -3.971 17892 4827 1 16 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.736 0.008 17892 4828 1 16 . 1 1 31 31 ILE CA C 31 62.316 62.316 64.003 -1.687 17892 4829 1 16 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.427 -0.800 17892 4830 1 16 . 1 1 31 31 ILE H H 31 7.118 7.118 8.524 -1.406 17892 4831 1 16 . 1 1 32 32 ASN N N 32 118.406 118.406 119.373 -0.967 17892 4832 1 16 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.435 -0.109 17892 4833 1 16 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.429 0.188 17892 4834 1 16 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.220 1.276 17892 4835 1 16 . 1 1 32 32 ASN H H 32 8.533 8.533 9.269 -0.736 17892 4836 1 16 . 1 1 33 33 GLY N N 33 125.014 125.014 109.045 15.969 17892 4837 1 16 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.074 0.616 17892 4838 1 16 . 1 1 33 33 GLY H H 33 8.477 8.477 8.578 -0.101 17892 4839 1 16 . 1 1 34 34 ILE N N 34 122.677 122.677 123.164 -0.487 17892 4840 1 16 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.818 0.439 17892 4841 1 16 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.404 0.848 17892 4842 1 16 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.026 0.810 17892 4843 1 16 . 1 1 34 34 ILE H H 34 8.178 8.178 7.560 0.618 17892 4844 1 16 . 1 1 35 35 GLU N N 35 120.928 120.928 120.111 0.817 17892 4845 1 16 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.971 0.192 17892 4846 1 16 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.818 0.512 17892 4847 1 16 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.543 -0.141 17892 4848 1 16 . 1 1 35 35 GLU H H 35 8.537 8.537 8.699 -0.162 17892 4849 1 16 . 1 1 36 36 LYS N N 36 116.174 116.174 117.266 -1.092 17892 4850 1 16 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.163 0.307 17892 4851 1 16 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.936 0.093 17892 4852 1 16 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.020 0.469 17892 4853 1 16 . 1 1 36 36 LYS H H 36 7.978 7.978 8.493 -0.515 17892 4854 1 16 . 1 1 37 37 ASN N N 37 114.939 114.939 114.116 0.823 17892 4855 1 16 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.355 0.313 17892 4856 1 16 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.168 0.884 17892 4857 1 16 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.648 0.881 17892 4858 1 16 . 1 1 37 37 ASN H H 37 8.150 8.150 7.756 0.394 17892 4859 1 16 . 1 1 38 38 LYS N N 38 115.469 115.469 117.228 -1.759 17892 4860 1 16 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.058 0.327 17892 4861 1 16 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.686 -1.926 17892 4862 1 16 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.093 0.499 17892 4863 1 16 . 1 1 38 38 LYS H H 38 8.586 8.586 8.197 0.389 17892 4864 1 16 . 1 1 39 39 TYR N N 39 117.011 117.011 112.440 4.571 17892 4865 1 16 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.734 -0.115 17892 4866 1 16 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.544 0.456 17892 4867 1 16 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.041 1.413 17892 4868 1 16 . 1 1 39 39 TYR H H 39 7.028 7.028 6.934 0.094 17892 4869 1 16 . 1 1 40 40 ASN N N 40 123.592 123.592 119.383 4.209 17892 4870 1 16 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.980 0.201 17892 4871 1 16 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.444 -0.209 17892 4872 1 16 . 1 1 40 40 ASN CB C 40 39.026 39.026 38.921 0.105 17892 4873 1 16 . 1 1 40 40 ASN H H 40 8.618 8.618 8.579 0.039 17892 4874 1 16 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.574 -0.810 17892 4875 1 16 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.617 0.431 17892 4876 1 16 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.309 -0.176 17892 4877 1 16 . 1 1 42 42 SER N N 42 125.240 125.240 115.276 9.964 17892 4878 1 16 . 1 1 42 42 SER HA H 42 4.530 4.530 4.257 0.273 17892 4879 1 16 . 1 1 42 42 SER CA C 42 58.052 58.052 57.975 0.077 17892 4880 1 16 . 1 1 42 42 SER CB C 42 64.643 64.643 63.846 0.797 17892 4881 1 16 . 1 1 42 42 SER H H 42 7.798 7.798 8.179 -0.381 17892 4882 1 16 . 1 1 43 43 LEU N N 43 121.149 121.149 124.662 -3.513 17892 4883 1 16 . 1 1 43 43 LEU HA H 43 3.865 3.865 3.988 -0.123 17892 4884 1 16 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.473 0.378 17892 4885 1 16 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.627 -0.221 17892 4886 1 16 . 1 1 43 43 LEU H H 43 9.134 9.134 8.727 0.407 17892 4887 1 16 . 1 1 44 44 GLN N N 44 115.817 115.817 118.835 -3.018 17892 4888 1 16 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.095 -0.403 17892 4889 1 16 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.347 1.298 17892 4890 1 16 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.297 0.503 17892 4891 1 16 . 1 1 44 44 GLN H H 44 8.743 8.743 8.617 0.126 17892 4892 1 16 . 1 1 45 45 LEU N N 45 119.397 119.397 118.975 0.422 17892 4893 1 16 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.997 -0.109 17892 4894 1 16 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.485 -2.429 17892 4895 1 16 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.475 -0.298 17892 4896 1 16 . 1 1 45 45 LEU H H 45 7.895 7.895 8.012 -0.117 17892 4897 1 16 . 1 1 46 46 ALA N N 46 120.694 120.694 122.470 -1.776 17892 4898 1 16 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.023 -0.031 17892 4899 1 16 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.273 0.805 17892 4900 1 16 . 1 1 46 46 ALA CB C 46 19.953 19.953 17.983 1.970 17892 4901 1 16 . 1 1 46 46 ALA H H 46 8.437 8.437 8.528 -0.091 17892 4902 1 16 . 1 1 47 47 LEU N N 47 116.298 116.298 118.702 -2.404 17892 4903 1 16 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.886 0.269 17892 4904 1 16 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.110 -0.059 17892 4905 1 16 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.593 0.990 17892 4906 1 16 . 1 1 47 47 LEU H H 47 8.552 8.552 8.746 -0.194 17892 4907 1 16 . 1 1 48 48 LYS N N 48 120.836 120.836 120.337 0.499 17892 4908 1 16 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.073 -0.550 17892 4909 1 16 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.133 0.329 17892 4910 1 16 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.494 0.641 17892 4911 1 16 . 1 1 48 48 LYS H H 48 7.863 7.863 8.202 -0.339 17892 4912 1 16 . 1 1 49 49 ILE N N 49 120.259 120.259 120.308 -0.049 17892 4913 1 16 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.841 -0.277 17892 4914 1 16 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.325 2.209 17892 4915 1 16 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.826 0.377 17892 4916 1 16 . 1 1 49 49 ILE H H 49 8.621 8.621 8.432 0.189 17892 4917 1 16 . 1 1 50 50 ALA N N 50 120.672 120.672 123.759 -3.087 17892 4918 1 16 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.242 -0.223 17892 4919 1 16 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.129 0.878 17892 4920 1 16 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.395 0.160 17892 4921 1 16 . 1 1 50 50 ALA H H 50 8.033 8.033 8.444 -0.411 17892 4922 1 16 . 1 1 51 51 TYR N N 51 117.393 117.393 120.374 -2.981 17892 4923 1 16 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.035 0.271 17892 4924 1 16 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.092 -0.165 17892 4925 1 16 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.532 0.241 17892 4926 1 16 . 1 1 51 51 TYR H H 51 8.108 8.108 8.530 -0.422 17892 4927 1 16 . 1 1 52 52 TYR N N 52 118.419 118.419 118.011 0.408 17892 4928 1 16 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.225 0.065 17892 4929 1 16 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.822 1.343 17892 4930 1 16 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.967 -0.939 17892 4931 1 16 . 1 1 52 52 TYR H H 52 8.891 8.891 8.901 -0.010 17892 4932 1 16 . 1 1 53 53 LEU N N 53 115.657 115.657 116.735 -1.078 17892 4933 1 16 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.413 0.057 17892 4934 1 16 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.546 0.074 17892 4935 1 16 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.921 -1.275 17892 4936 1 16 . 1 1 53 53 LEU H H 53 8.182 8.182 8.576 -0.394 17892 4937 1 16 . 1 1 54 54 ASN N N 54 122.127 122.127 116.419 5.708 17892 4938 1 16 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.297 0.111 17892 4939 1 16 . 1 1 54 54 ASN CA C 54 54.168 54.168 53.995 0.173 17892 4940 1 16 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.798 0.369 17892 4941 1 16 . 1 1 54 54 ASN H H 54 8.048 8.048 7.645 0.403 17892 4942 1 16 . 1 1 55 55 THR N N 55 115.087 115.087 115.219 -0.132 17892 4943 1 16 . 1 1 55 55 THR HA H 55 4.902 4.902 4.799 0.103 17892 4944 1 16 . 1 1 55 55 THR CA C 55 60.449 60.449 60.189 0.260 17892 4945 1 16 . 1 1 55 55 THR CB C 55 75.269 75.269 70.467 4.802 17892 4946 1 16 . 1 1 55 55 THR H H 55 8.134 8.134 8.148 -0.014 17892 4947 1 16 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.517 0.072 17892 4948 1 16 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.853 0.292 17892 4949 1 16 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.392 0.089 17892 4950 1 16 . 1 1 57 57 LEU N N 57 127.729 127.729 126.906 0.823 17892 4951 1 16 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.164 -0.174 17892 4952 1 16 . 1 1 57 57 LEU CA C 57 60.498 60.498 59.045 1.453 17892 4953 1 16 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.186 -0.143 17892 4954 1 16 . 1 1 57 57 LEU H H 57 9.788 9.788 8.638 1.150 17892 4955 1 16 . 1 1 58 58 GLU N N 58 123.764 123.764 118.804 4.960 17892 4956 1 16 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.314 0.520 17892 4957 1 16 . 1 1 58 58 GLU CA C 58 59.038 59.038 59.463 -0.425 17892 4958 1 16 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.260 0.348 17892 4959 1 16 . 1 1 58 58 GLU H H 58 9.188 9.188 8.703 0.485 17892 4960 1 16 . 1 1 59 59 ASP N N 59 117.867 117.867 118.655 -0.788 17892 4961 1 16 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.456 0.145 17892 4962 1 16 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.252 -0.079 17892 4963 1 16 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.534 0.007 17892 4964 1 16 . 1 1 59 59 ASP H H 59 7.910 7.910 8.090 -0.180 17892 4965 1 16 . 1 1 60 60 ILE N N 60 119.503 119.503 117.874 1.629 17892 4966 1 16 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.764 -0.253 17892 4967 1 16 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.903 0.444 17892 4968 1 16 . 1 1 60 60 ILE CB C 60 39.966 39.966 39.044 0.922 17892 4969 1 16 . 1 1 60 60 ILE H H 60 8.104 8.104 7.573 0.531 17892 4970 1 16 . 1 1 61 61 PHE N N 61 116.398 116.398 118.521 -2.123 17892 4971 1 16 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.435 0.025 17892 4972 1 16 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.922 0.086 17892 4973 1 16 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.883 2.948 17892 4974 1 16 . 1 1 61 61 PHE H H 61 8.463 8.463 8.671 -0.208 17892 4975 1 16 . 1 1 62 62 GLN N N 62 117.212 117.212 121.732 -4.520 17892 4976 1 16 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.802 0.199 17892 4977 1 16 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.986 0.593 17892 4978 1 16 . 1 1 62 62 GLN CB C 62 32.378 32.378 29.790 2.588 17892 4979 1 16 . 1 1 62 62 GLN H H 62 8.572 8.572 9.409 -0.837 17892 4980 1 16 . 1 1 63 63 TRP N N 63 125.622 125.622 129.511 -3.889 17892 4981 1 16 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.590 0.586 17892 4982 1 16 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.686 -0.534 17892 4983 1 16 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.040 1.214 17892 4984 1 16 . 1 1 63 63 TRP H H 63 9.278 9.278 9.048 0.230 17892 4985 1 16 . 1 1 64 64 GLN N N 64 126.649 126.649 128.162 -1.513 17892 4986 1 16 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.287 -0.081 17892 4987 1 16 . 1 1 64 64 GLN CA C 64 51.887 51.887 53.386 -1.499 17892 4988 1 16 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.416 1.748 17892 4989 1 16 . 1 1 64 64 GLN H H 64 7.841 7.841 8.525 -0.684 17892 4990 1 16 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.668 0.938 17892 4991 1 16 . 1 1 65 65 PRO CA C 65 62.102 62.102 63.430 -1.328 17892 4992 1 16 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.942 0.108 17892 4993 1 17 . 1 1 2 2 ILE N N 2 123.730 123.730 122.969 0.761 17892 4994 1 17 . 1 1 2 2 ILE HA H 2 4.987 4.987 5.017 -0.030 17892 4995 1 17 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.285 0.045 17892 4996 1 17 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.441 0.136 17892 4997 1 17 . 1 1 2 2 ILE H H 2 8.813 8.813 8.723 0.090 17892 4998 1 17 . 1 1 3 3 ILE N N 3 129.451 129.451 128.871 0.580 17892 4999 1 17 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.153 0.161 17892 5000 1 17 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.666 0.046 17892 5001 1 17 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.284 -0.427 17892 5002 1 17 . 1 1 3 3 ILE H H 3 9.355 9.355 9.233 0.122 17892 5003 1 17 . 1 1 4 4 ASN N N 4 124.242 124.242 125.890 -1.648 17892 5004 1 17 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.906 0.544 17892 5005 1 17 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.260 -0.520 17892 5006 1 17 . 1 1 4 4 ASN CB C 4 41.558 41.558 38.976 2.582 17892 5007 1 17 . 1 1 4 4 ASN H H 4 8.823 8.823 8.868 -0.045 17892 5008 1 17 . 1 1 5 5 ASN N N 5 121.916 121.916 123.778 -1.862 17892 5009 1 17 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.802 0.578 17892 5010 1 17 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.626 -0.605 17892 5011 1 17 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.067 1.070 17892 5012 1 17 . 1 1 5 5 ASN H H 5 9.356 9.356 9.051 0.305 17892 5013 1 17 . 1 1 6 6 LEU N N 6 120.873 120.873 123.090 -2.217 17892 5014 1 17 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.834 -0.092 17892 5015 1 17 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.329 0.776 17892 5016 1 17 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.493 -0.138 17892 5017 1 17 . 1 1 6 6 LEU H H 6 8.419 8.419 9.078 -0.659 17892 5018 1 17 . 1 1 7 7 LYS N N 7 118.232 118.232 118.305 -0.073 17892 5019 1 17 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.122 -0.237 17892 5020 1 17 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.264 1.593 17892 5021 1 17 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.955 1.898 17892 5022 1 17 . 1 1 7 7 LYS H H 7 8.820 8.820 8.301 0.519 17892 5023 1 17 . 1 1 8 8 LEU N N 8 116.679 116.679 120.797 -4.118 17892 5024 1 17 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.067 0.047 17892 5025 1 17 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.335 0.883 17892 5026 1 17 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.955 0.623 17892 5027 1 17 . 1 1 8 8 LEU H H 8 7.443 7.443 7.548 -0.105 17892 5028 1 17 . 1 1 9 9 ILE N N 9 119.043 119.043 118.965 0.078 17892 5029 1 17 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.551 0.228 17892 5030 1 17 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.295 -1.889 17892 5031 1 17 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.617 -0.692 17892 5032 1 17 . 1 1 9 9 ILE H H 9 8.133 8.133 8.699 -0.566 17892 5033 1 17 . 1 1 10 10 ARG N N 10 120.200 120.200 120.308 -0.108 17892 5034 1 17 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.889 -0.047 17892 5035 1 17 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.132 1.145 17892 5036 1 17 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.074 -1.040 17892 5037 1 17 . 1 1 10 10 ARG H H 10 9.128 9.128 8.923 0.205 17892 5038 1 17 . 1 1 11 11 GLU N N 11 116.457 116.457 117.720 -1.263 17892 5039 1 17 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.077 0.037 17892 5040 1 17 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.973 0.963 17892 5041 1 17 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.064 0.400 17892 5042 1 17 . 1 1 11 11 GLU H H 11 8.555 8.555 7.834 0.721 17892 5043 1 17 . 1 1 12 12 LYS N N 12 122.500 122.500 119.125 3.375 17892 5044 1 17 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.082 0.081 17892 5045 1 17 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.760 1.206 17892 5046 1 17 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.294 0.254 17892 5047 1 17 . 1 1 12 12 LYS H H 12 8.169 8.169 7.202 0.967 17892 5048 1 17 . 1 1 13 13 LYS N N 13 116.690 116.690 115.347 1.343 17892 5049 1 17 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.346 -0.081 17892 5050 1 17 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.059 0.561 17892 5051 1 17 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.058 0.041 17892 5052 1 17 . 1 1 13 13 LYS H H 13 7.748 7.748 7.824 -0.076 17892 5053 1 17 . 1 1 14 14 LYS N N 14 115.251 115.251 115.060 0.191 17892 5054 1 17 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.905 0.009 17892 5055 1 17 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.005 0.462 17892 5056 1 17 . 1 1 14 14 LYS CB C 14 28.915 28.915 29.887 -0.972 17892 5057 1 17 . 1 1 14 14 LYS H H 14 7.978 7.978 7.804 0.174 17892 5058 1 17 . 1 1 15 15 ILE N N 15 118.640 118.640 119.779 -1.139 17892 5059 1 17 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.317 0.250 17892 5060 1 17 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.152 0.469 17892 5061 1 17 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.849 0.324 17892 5062 1 17 . 1 1 15 15 ILE H H 15 7.508 7.508 7.928 -0.420 17892 5063 1 17 . 1 1 16 16 SER N N 16 124.827 124.827 121.720 3.107 17892 5064 1 17 . 1 1 16 16 SER HA H 16 4.559 4.559 4.596 -0.037 17892 5065 1 17 . 1 1 16 16 SER CA C 16 57.422 57.422 58.902 -1.480 17892 5066 1 17 . 1 1 16 16 SER CB C 16 65.249 65.249 64.187 1.062 17892 5067 1 17 . 1 1 16 16 SER H H 16 9.220 9.220 9.449 -0.229 17892 5068 1 17 . 1 1 17 17 GLN N N 17 120.457 120.457 124.302 -3.845 17892 5069 1 17 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.952 -0.201 17892 5070 1 17 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.416 0.861 17892 5071 1 17 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.528 1.073 17892 5072 1 17 . 1 1 17 17 GLN H H 17 9.364 9.364 8.918 0.446 17892 5073 1 17 . 1 1 18 18 SER N N 18 112.796 112.796 114.925 -2.129 17892 5074 1 17 . 1 1 18 18 SER HA H 18 4.739 4.739 4.059 0.680 17892 5075 1 17 . 1 1 18 18 SER CA C 18 63.145 63.145 61.373 1.772 17892 5076 1 17 . 1 1 18 18 SER CB C 18 65.724 65.724 62.307 3.417 17892 5077 1 17 . 1 1 18 18 SER H H 18 8.680 8.680 8.607 0.073 17892 5078 1 17 . 1 1 19 19 GLU N N 19 124.363 124.363 122.183 2.180 17892 5079 1 17 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.107 -0.037 17892 5080 1 17 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.679 0.631 17892 5081 1 17 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.007 1.184 17892 5082 1 17 . 1 1 19 19 GLU H H 19 8.145 8.145 8.353 -0.208 17892 5083 1 17 . 1 1 20 20 LEU N N 20 119.741 119.741 121.741 -2.000 17892 5084 1 17 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.962 0.138 17892 5085 1 17 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.739 0.368 17892 5086 1 17 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.541 0.014 17892 5087 1 17 . 1 1 20 20 LEU H H 20 8.161 8.161 8.212 -0.051 17892 5088 1 17 . 1 1 21 21 ALA N N 21 119.970 119.970 121.158 -1.188 17892 5089 1 17 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.954 -0.265 17892 5090 1 17 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.037 0.783 17892 5091 1 17 . 1 1 21 21 ALA CB C 21 17.398 17.398 18.107 -0.709 17892 5092 1 17 . 1 1 21 21 ALA H H 21 8.436 8.436 8.644 -0.208 17892 5093 1 17 . 1 1 22 22 ALA N N 22 117.873 117.873 121.860 -3.987 17892 5094 1 17 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.019 0.185 17892 5095 1 17 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.585 0.476 17892 5096 1 17 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.414 -0.179 17892 5097 1 17 . 1 1 22 22 ALA H H 22 7.709 7.709 8.202 -0.493 17892 5098 1 17 . 1 1 23 23 LEU N N 23 118.771 118.771 117.742 1.029 17892 5099 1 17 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.692 0.223 17892 5100 1 17 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.736 0.914 17892 5101 1 17 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.299 0.635 17892 5102 1 17 . 1 1 23 23 LEU H H 23 7.543 7.543 7.637 -0.094 17892 5103 1 17 . 1 1 24 24 LEU N N 24 114.703 114.703 115.330 -0.627 17892 5104 1 17 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.226 0.036 17892 5105 1 17 . 1 1 24 24 LEU CA C 24 55.851 55.851 54.499 1.352 17892 5106 1 17 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.373 2.611 17892 5107 1 17 . 1 1 24 24 LEU H H 24 7.430 7.430 7.211 0.219 17892 5108 1 17 . 1 1 25 25 GLU N N 25 115.450 115.450 116.206 -0.756 17892 5109 1 17 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.039 -0.133 17892 5110 1 17 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.254 0.532 17892 5111 1 17 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.590 -0.047 17892 5112 1 17 . 1 1 25 25 GLU H H 25 7.987 7.987 7.718 0.269 17892 5113 1 17 . 1 1 26 26 VAL N N 26 110.029 110.029 113.206 -3.177 17892 5114 1 17 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.637 0.203 17892 5115 1 17 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.219 -0.388 17892 5116 1 17 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.740 -0.151 17892 5117 1 17 . 1 1 26 26 VAL H H 26 7.908 7.908 7.980 -0.072 17892 5118 1 17 . 1 1 27 27 SER N N 27 114.372 114.372 116.382 -2.010 17892 5119 1 17 . 1 1 27 27 SER HA H 27 4.761 4.761 4.461 0.300 17892 5120 1 17 . 1 1 27 27 SER CA C 27 56.661 56.661 58.256 -1.595 17892 5121 1 17 . 1 1 27 27 SER CB C 27 62.712 62.712 64.098 -1.386 17892 5122 1 17 . 1 1 27 27 SER H H 27 8.401 8.401 8.489 -0.088 17892 5123 1 17 . 1 1 28 28 ARG N N 28 115.199 115.199 123.880 -8.681 17892 5124 1 17 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.956 -0.226 17892 5125 1 17 . 1 1 28 28 ARG CA C 28 60.378 60.378 59.887 0.491 17892 5126 1 17 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.057 -0.457 17892 5127 1 17 . 1 1 28 28 ARG H H 28 8.150 8.150 8.897 -0.747 17892 5128 1 17 . 1 1 29 29 GLN N N 29 117.559 117.559 116.463 1.096 17892 5129 1 17 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.067 0.045 17892 5130 1 17 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.579 0.056 17892 5131 1 17 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.193 -0.075 17892 5132 1 17 . 1 1 29 29 GLN H H 29 8.674 8.674 8.879 -0.205 17892 5133 1 17 . 1 1 30 30 THR N N 30 119.900 119.900 116.487 3.413 17892 5134 1 17 . 1 1 30 30 THR HA H 30 4.373 4.373 4.307 0.066 17892 5135 1 17 . 1 1 30 30 THR CA C 30 68.235 68.235 66.487 1.748 17892 5136 1 17 . 1 1 30 30 THR CB C 30 66.938 66.938 68.632 -1.694 17892 5137 1 17 . 1 1 30 30 THR H H 30 7.995 7.995 7.781 0.214 17892 5138 1 17 . 1 1 31 31 ILE N N 31 119.083 119.083 123.701 -4.618 17892 5139 1 17 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.848 -0.104 17892 5140 1 17 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.880 -1.565 17892 5141 1 17 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.719 -1.092 17892 5142 1 17 . 1 1 31 31 ILE H H 31 7.118 7.118 7.352 -0.234 17892 5143 1 17 . 1 1 32 32 ASN N N 32 118.406 118.406 119.147 -0.741 17892 5144 1 17 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.418 -0.092 17892 5145 1 17 . 1 1 32 32 ASN CA C 32 57.617 57.617 56.886 0.731 17892 5146 1 17 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.233 1.263 17892 5147 1 17 . 1 1 32 32 ASN H H 32 8.533 8.533 8.855 -0.322 17892 5148 1 17 . 1 1 33 33 GLY N N 33 125.014 125.014 109.047 15.967 17892 5149 1 17 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.023 0.667 17892 5150 1 17 . 1 1 33 33 GLY H H 33 8.477 8.477 8.679 -0.202 17892 5151 1 17 . 1 1 34 34 ILE N N 34 122.677 122.677 123.039 -0.362 17892 5152 1 17 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.639 0.618 17892 5153 1 17 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.461 0.791 17892 5154 1 17 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.989 0.847 17892 5155 1 17 . 1 1 34 34 ILE H H 34 8.178 8.178 8.077 0.101 17892 5156 1 17 . 1 1 35 35 GLU N N 35 120.928 120.928 120.590 0.338 17892 5157 1 17 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.956 0.207 17892 5158 1 17 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.727 0.603 17892 5159 1 17 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.552 -0.150 17892 5160 1 17 . 1 1 35 35 GLU H H 35 8.537 8.537 8.925 -0.388 17892 5161 1 17 . 1 1 36 36 LYS N N 36 116.174 116.174 117.324 -1.150 17892 5162 1 17 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.205 0.265 17892 5163 1 17 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.385 0.644 17892 5164 1 17 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.398 1.091 17892 5165 1 17 . 1 1 36 36 LYS H H 36 7.978 7.978 7.768 0.210 17892 5166 1 17 . 1 1 37 37 ASN N N 37 114.939 114.939 114.378 0.561 17892 5167 1 17 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.382 0.286 17892 5168 1 17 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.729 0.323 17892 5169 1 17 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.398 1.131 17892 5170 1 17 . 1 1 37 37 ASN H H 37 8.150 8.150 8.002 0.148 17892 5171 1 17 . 1 1 38 38 LYS N N 38 115.469 115.469 116.996 -1.527 17892 5172 1 17 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.115 0.270 17892 5173 1 17 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.789 -2.029 17892 5174 1 17 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.341 0.252 17892 5175 1 17 . 1 1 38 38 LYS H H 38 8.586 8.586 8.212 0.374 17892 5176 1 17 . 1 1 39 39 TYR N N 39 117.011 117.011 113.902 3.109 17892 5177 1 17 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.755 -0.136 17892 5178 1 17 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.735 0.265 17892 5179 1 17 . 1 1 39 39 TYR CB C 39 40.453 40.453 40.083 0.370 17892 5180 1 17 . 1 1 39 39 TYR H H 39 7.028 7.028 6.942 0.086 17892 5181 1 17 . 1 1 40 40 ASN N N 40 123.592 123.592 119.860 3.732 17892 5182 1 17 . 1 1 40 40 ASN HA H 40 5.181 5.181 5.037 0.144 17892 5183 1 17 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.227 -0.992 17892 5184 1 17 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.749 -0.723 17892 5185 1 17 . 1 1 40 40 ASN H H 40 8.618 8.618 8.647 -0.029 17892 5186 1 17 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.502 -0.738 17892 5187 1 17 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.366 0.682 17892 5188 1 17 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.268 -0.135 17892 5189 1 17 . 1 1 42 42 SER N N 42 125.240 125.240 114.405 10.835 17892 5190 1 17 . 1 1 42 42 SER HA H 42 4.530 4.530 4.220 0.310 17892 5191 1 17 . 1 1 42 42 SER CA C 42 58.052 58.052 58.050 0.002 17892 5192 1 17 . 1 1 42 42 SER CB C 42 64.643 64.643 63.647 0.996 17892 5193 1 17 . 1 1 42 42 SER H H 42 7.798 7.798 8.120 -0.322 17892 5194 1 17 . 1 1 43 43 LEU N N 43 121.149 121.149 124.027 -2.878 17892 5195 1 17 . 1 1 43 43 LEU HA H 43 3.865 3.865 3.994 -0.129 17892 5196 1 17 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.486 0.365 17892 5197 1 17 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.648 -0.242 17892 5198 1 17 . 1 1 43 43 LEU H H 43 9.134 9.134 8.679 0.455 17892 5199 1 17 . 1 1 44 44 GLN N N 44 115.817 115.817 118.853 -3.036 17892 5200 1 17 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.115 -0.423 17892 5201 1 17 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.345 1.300 17892 5202 1 17 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.307 0.493 17892 5203 1 17 . 1 1 44 44 GLN H H 44 8.743 8.743 8.633 0.110 17892 5204 1 17 . 1 1 45 45 LEU N N 45 119.397 119.397 119.325 0.072 17892 5205 1 17 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.053 -0.165 17892 5206 1 17 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.394 -2.338 17892 5207 1 17 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.366 -0.189 17892 5208 1 17 . 1 1 45 45 LEU H H 45 7.895 7.895 8.096 -0.201 17892 5209 1 17 . 1 1 46 46 ALA N N 46 120.694 120.694 122.549 -1.855 17892 5210 1 17 . 1 1 46 46 ALA HA H 46 3.992 3.992 4.045 -0.053 17892 5211 1 17 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.334 0.744 17892 5212 1 17 . 1 1 46 46 ALA CB C 46 19.953 19.953 17.950 2.003 17892 5213 1 17 . 1 1 46 46 ALA H H 46 8.437 8.437 8.384 0.053 17892 5214 1 17 . 1 1 47 47 LEU N N 47 116.298 116.298 118.902 -2.604 17892 5215 1 17 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.889 0.266 17892 5216 1 17 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.166 -0.115 17892 5217 1 17 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.637 0.946 17892 5218 1 17 . 1 1 47 47 LEU H H 47 8.552 8.552 8.667 -0.115 17892 5219 1 17 . 1 1 48 48 LYS N N 48 120.836 120.836 120.318 0.518 17892 5220 1 17 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.038 -0.515 17892 5221 1 17 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.118 0.344 17892 5222 1 17 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.533 0.602 17892 5223 1 17 . 1 1 48 48 LYS H H 48 7.863 7.863 8.557 -0.694 17892 5224 1 17 . 1 1 49 49 ILE N N 49 120.259 120.259 120.631 -0.372 17892 5225 1 17 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.849 -0.285 17892 5226 1 17 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.836 1.698 17892 5227 1 17 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.925 0.278 17892 5228 1 17 . 1 1 49 49 ILE H H 49 8.621 8.621 8.640 -0.019 17892 5229 1 17 . 1 1 50 50 ALA N N 50 120.672 120.672 123.986 -3.314 17892 5230 1 17 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.164 -0.145 17892 5231 1 17 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.242 0.765 17892 5232 1 17 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.300 0.255 17892 5233 1 17 . 1 1 50 50 ALA H H 50 8.033 8.033 8.700 -0.667 17892 5234 1 17 . 1 1 51 51 TYR N N 51 117.393 117.393 120.549 -3.156 17892 5235 1 17 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.042 0.264 17892 5236 1 17 . 1 1 51 51 TYR CA C 51 61.927 61.927 61.987 -0.060 17892 5237 1 17 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.447 0.326 17892 5238 1 17 . 1 1 51 51 TYR H H 51 8.108 8.108 8.498 -0.390 17892 5239 1 17 . 1 1 52 52 TYR N N 52 118.419 118.419 118.768 -0.349 17892 5240 1 17 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.128 0.162 17892 5241 1 17 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.752 1.413 17892 5242 1 17 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.852 -0.824 17892 5243 1 17 . 1 1 52 52 TYR H H 52 8.891 8.891 8.781 0.110 17892 5244 1 17 . 1 1 53 53 LEU N N 53 115.657 115.657 116.772 -1.115 17892 5245 1 17 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.424 0.046 17892 5246 1 17 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.775 -0.155 17892 5247 1 17 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.873 -1.227 17892 5248 1 17 . 1 1 53 53 LEU H H 53 8.182 8.182 8.807 -0.625 17892 5249 1 17 . 1 1 54 54 ASN N N 54 122.127 122.127 117.393 4.734 17892 5250 1 17 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.325 0.083 17892 5251 1 17 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.463 -0.295 17892 5252 1 17 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.003 1.164 17892 5253 1 17 . 1 1 54 54 ASN H H 54 8.048 8.048 7.915 0.133 17892 5254 1 17 . 1 1 55 55 THR N N 55 115.087 115.087 115.180 -0.093 17892 5255 1 17 . 1 1 55 55 THR HA H 55 4.902 4.902 4.723 0.179 17892 5256 1 17 . 1 1 55 55 THR CA C 55 60.449 60.449 60.346 0.103 17892 5257 1 17 . 1 1 55 55 THR CB C 55 75.269 75.269 71.027 4.242 17892 5258 1 17 . 1 1 55 55 THR H H 55 8.134 8.134 8.168 -0.034 17892 5259 1 17 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.524 0.065 17892 5260 1 17 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.810 0.335 17892 5261 1 17 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.385 0.097 17892 5262 1 17 . 1 1 57 57 LEU N N 57 127.729 127.729 126.747 0.982 17892 5263 1 17 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.149 -0.159 17892 5264 1 17 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.759 1.739 17892 5265 1 17 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.247 -0.204 17892 5266 1 17 . 1 1 57 57 LEU H H 57 9.788 9.788 8.619 1.169 17892 5267 1 17 . 1 1 58 58 GLU N N 58 123.764 123.764 117.395 6.369 17892 5268 1 17 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.380 0.454 17892 5269 1 17 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.919 0.119 17892 5270 1 17 . 1 1 58 58 GLU CB C 58 29.608 29.608 29.216 0.392 17892 5271 1 17 . 1 1 58 58 GLU H H 58 9.188 9.188 8.581 0.607 17892 5272 1 17 . 1 1 59 59 ASP N N 59 117.867 117.867 117.817 0.050 17892 5273 1 17 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.492 0.109 17892 5274 1 17 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.253 -0.080 17892 5275 1 17 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.618 -0.077 17892 5276 1 17 . 1 1 59 59 ASP H H 59 7.910 7.910 8.119 -0.209 17892 5277 1 17 . 1 1 60 60 ILE N N 60 119.503 119.503 118.154 1.349 17892 5278 1 17 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.702 -0.191 17892 5279 1 17 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.220 0.127 17892 5280 1 17 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.873 1.093 17892 5281 1 17 . 1 1 60 60 ILE H H 60 8.104 8.104 7.565 0.539 17892 5282 1 17 . 1 1 61 61 PHE N N 61 116.398 116.398 117.797 -1.399 17892 5283 1 17 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.569 -0.109 17892 5284 1 17 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.504 0.504 17892 5285 1 17 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.921 2.910 17892 5286 1 17 . 1 1 61 61 PHE H H 61 8.463 8.463 8.792 -0.329 17892 5287 1 17 . 1 1 62 62 GLN N N 62 117.212 117.212 121.299 -4.087 17892 5288 1 17 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.821 0.180 17892 5289 1 17 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.707 0.872 17892 5290 1 17 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.395 0.983 17892 5291 1 17 . 1 1 62 62 GLN H H 62 8.572 8.572 8.859 -0.287 17892 5292 1 17 . 1 1 63 63 TRP N N 63 125.622 125.622 128.334 -2.712 17892 5293 1 17 . 1 1 63 63 TRP HA H 63 5.176 5.176 5.106 0.070 17892 5294 1 17 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.017 0.135 17892 5295 1 17 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.215 1.039 17892 5296 1 17 . 1 1 63 63 TRP H H 63 9.278 9.278 8.894 0.384 17892 5297 1 17 . 1 1 64 64 GLN N N 64 126.649 126.649 127.524 -0.875 17892 5298 1 17 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.448 -0.242 17892 5299 1 17 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.494 -0.607 17892 5300 1 17 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.465 0.699 17892 5301 1 17 . 1 1 64 64 GLN H H 64 7.841 7.841 8.735 -0.894 17892 5302 1 17 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.625 0.981 17892 5303 1 17 . 1 1 65 65 PRO CA C 65 62.102 62.102 64.100 -1.998 17892 5304 1 17 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.057 -0.007 17892 5305 1 18 . 1 1 2 2 ILE N N 2 123.730 123.730 119.856 3.874 17892 5306 1 18 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.867 0.120 17892 5307 1 18 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.390 -0.060 17892 5308 1 18 . 1 1 2 2 ILE CB C 2 39.577 39.577 40.380 -0.803 17892 5309 1 18 . 1 1 2 2 ILE H H 2 8.813 8.813 8.046 0.767 17892 5310 1 18 . 1 1 3 3 ILE N N 3 129.451 129.451 127.716 1.735 17892 5311 1 18 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.170 0.144 17892 5312 1 18 . 1 1 3 3 ILE CA C 3 60.712 60.712 59.748 0.964 17892 5313 1 18 . 1 1 3 3 ILE CB C 3 38.857 38.857 38.599 0.258 17892 5314 1 18 . 1 1 3 3 ILE H H 3 9.355 9.355 9.371 -0.016 17892 5315 1 18 . 1 1 4 4 ASN N N 4 124.242 124.242 126.637 -2.395 17892 5316 1 18 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.352 0.098 17892 5317 1 18 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.104 -0.364 17892 5318 1 18 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.804 1.754 17892 5319 1 18 . 1 1 4 4 ASN H H 4 8.823 8.823 8.322 0.501 17892 5320 1 18 . 1 1 5 5 ASN N N 5 121.916 121.916 123.874 -1.958 17892 5321 1 18 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.855 0.525 17892 5322 1 18 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.733 -0.712 17892 5323 1 18 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.997 1.140 17892 5324 1 18 . 1 1 5 5 ASN H H 5 9.356 9.356 9.195 0.161 17892 5325 1 18 . 1 1 6 6 LEU N N 6 120.873 120.873 123.259 -2.386 17892 5326 1 18 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.827 -0.085 17892 5327 1 18 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.375 0.730 17892 5328 1 18 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.618 -0.263 17892 5329 1 18 . 1 1 6 6 LEU H H 6 8.419 8.419 9.287 -0.868 17892 5330 1 18 . 1 1 7 7 LYS N N 7 118.232 118.232 118.149 0.083 17892 5331 1 18 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.269 -0.384 17892 5332 1 18 . 1 1 7 7 LYS CA C 7 60.857 60.857 58.963 1.894 17892 5333 1 18 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.230 1.623 17892 5334 1 18 . 1 1 7 7 LYS H H 7 8.820 8.820 8.474 0.346 17892 5335 1 18 . 1 1 8 8 LEU N N 8 116.679 116.679 120.785 -4.106 17892 5336 1 18 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.114 -0.000 17892 5337 1 18 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.329 0.889 17892 5338 1 18 . 1 1 8 8 LEU CB C 8 42.578 42.578 42.054 0.524 17892 5339 1 18 . 1 1 8 8 LEU H H 8 7.443 7.443 7.523 -0.080 17892 5340 1 18 . 1 1 9 9 ILE N N 9 119.043 119.043 119.042 0.001 17892 5341 1 18 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.564 0.215 17892 5342 1 18 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.292 -1.886 17892 5343 1 18 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.642 -0.716 17892 5344 1 18 . 1 1 9 9 ILE H H 9 8.133 8.133 8.705 -0.572 17892 5345 1 18 . 1 1 10 10 ARG N N 10 120.200 120.200 120.283 -0.083 17892 5346 1 18 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.806 0.036 17892 5347 1 18 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.174 1.103 17892 5348 1 18 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.156 -1.122 17892 5349 1 18 . 1 1 10 10 ARG H H 10 9.128 9.128 8.963 0.165 17892 5350 1 18 . 1 1 11 11 GLU N N 11 116.457 116.457 117.910 -1.453 17892 5351 1 18 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.078 0.036 17892 5352 1 18 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.855 1.081 17892 5353 1 18 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.096 0.368 17892 5354 1 18 . 1 1 11 11 GLU H H 11 8.555 8.555 7.718 0.837 17892 5355 1 18 . 1 1 12 12 LYS N N 12 122.500 122.500 119.661 2.839 17892 5356 1 18 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.027 0.136 17892 5357 1 18 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.421 0.545 17892 5358 1 18 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.351 0.197 17892 5359 1 18 . 1 1 12 12 LYS H H 12 8.169 8.169 7.412 0.757 17892 5360 1 18 . 1 1 13 13 LYS N N 13 116.690 116.690 115.505 1.185 17892 5361 1 18 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.178 0.087 17892 5362 1 18 . 1 1 13 13 LYS CA C 13 55.620 55.620 55.883 -0.263 17892 5363 1 18 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.008 0.091 17892 5364 1 18 . 1 1 13 13 LYS H H 13 7.748 7.748 8.166 -0.418 17892 5365 1 18 . 1 1 14 14 LYS N N 14 115.251 115.251 115.122 0.129 17892 5366 1 18 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.930 -0.016 17892 5367 1 18 . 1 1 14 14 LYS CA C 14 57.467 57.467 56.836 0.631 17892 5368 1 18 . 1 1 14 14 LYS CB C 14 28.915 28.915 29.646 -0.731 17892 5369 1 18 . 1 1 14 14 LYS H H 14 7.978 7.978 7.867 0.111 17892 5370 1 18 . 1 1 15 15 ILE N N 15 118.640 118.640 119.856 -1.216 17892 5371 1 18 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.425 0.142 17892 5372 1 18 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.171 0.450 17892 5373 1 18 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.526 0.647 17892 5374 1 18 . 1 1 15 15 ILE H H 15 7.508 7.508 7.856 -0.348 17892 5375 1 18 . 1 1 16 16 SER N N 16 124.827 124.827 121.872 2.955 17892 5376 1 18 . 1 1 16 16 SER HA H 16 4.559 4.559 4.659 -0.100 17892 5377 1 18 . 1 1 16 16 SER CA C 16 57.422 57.422 57.074 0.348 17892 5378 1 18 . 1 1 16 16 SER CB C 16 65.249 65.249 64.660 0.589 17892 5379 1 18 . 1 1 16 16 SER H H 16 9.220 9.220 8.616 0.604 17892 5380 1 18 . 1 1 17 17 GLN N N 17 120.457 120.457 127.588 -7.131 17892 5381 1 18 . 1 1 17 17 GLN HA H 17 3.751 3.751 4.001 -0.250 17892 5382 1 18 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.213 2.064 17892 5383 1 18 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.301 1.300 17892 5384 1 18 . 1 1 17 17 GLN H H 17 9.364 9.364 9.064 0.300 17892 5385 1 18 . 1 1 18 18 SER N N 18 112.796 112.796 117.350 -4.554 17892 5386 1 18 . 1 1 18 18 SER HA H 18 4.739 4.739 4.015 0.724 17892 5387 1 18 . 1 1 18 18 SER CA C 18 63.145 63.145 62.252 0.893 17892 5388 1 18 . 1 1 18 18 SER CB C 18 65.724 65.724 62.624 3.100 17892 5389 1 18 . 1 1 18 18 SER H H 18 8.680 8.680 8.216 0.464 17892 5390 1 18 . 1 1 19 19 GLU N N 19 124.363 124.363 121.961 2.402 17892 5391 1 18 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.079 -0.009 17892 5392 1 18 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.516 0.794 17892 5393 1 18 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.255 0.936 17892 5394 1 18 . 1 1 19 19 GLU H H 19 8.145 8.145 7.639 0.506 17892 5395 1 18 . 1 1 20 20 LEU N N 20 119.741 119.741 121.966 -2.225 17892 5396 1 18 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.843 0.257 17892 5397 1 18 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.886 0.221 17892 5398 1 18 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.487 0.068 17892 5399 1 18 . 1 1 20 20 LEU H H 20 8.161 8.161 8.619 -0.458 17892 5400 1 18 . 1 1 21 21 ALA N N 21 119.970 119.970 121.723 -1.753 17892 5401 1 18 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.917 -0.228 17892 5402 1 18 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.309 0.511 17892 5403 1 18 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.931 -0.533 17892 5404 1 18 . 1 1 21 21 ALA H H 21 8.436 8.436 8.840 -0.404 17892 5405 1 18 . 1 1 22 22 ALA N N 22 117.873 117.873 121.363 -3.490 17892 5406 1 18 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.997 0.207 17892 5407 1 18 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.671 0.390 17892 5408 1 18 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.479 -0.244 17892 5409 1 18 . 1 1 22 22 ALA H H 22 7.709 7.709 7.472 0.237 17892 5410 1 18 . 1 1 23 23 LEU N N 23 118.771 118.771 119.174 -0.403 17892 5411 1 18 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.547 0.368 17892 5412 1 18 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.296 0.354 17892 5413 1 18 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.680 1.254 17892 5414 1 18 . 1 1 23 23 LEU H H 23 7.543 7.543 8.391 -0.848 17892 5415 1 18 . 1 1 24 24 LEU N N 24 114.703 114.703 118.224 -3.521 17892 5416 1 18 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.246 0.016 17892 5417 1 18 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.002 -1.151 17892 5418 1 18 . 1 1 24 24 LEU CB C 24 43.983 43.983 41.903 2.080 17892 5419 1 18 . 1 1 24 24 LEU H H 24 7.430 7.430 8.781 -1.351 17892 5420 1 18 . 1 1 25 25 GLU N N 25 115.450 115.450 114.473 0.977 17892 5421 1 18 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.046 -0.140 17892 5422 1 18 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.148 0.638 17892 5423 1 18 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.668 -0.125 17892 5424 1 18 . 1 1 25 25 GLU H H 25 7.987 7.987 8.076 -0.089 17892 5425 1 18 . 1 1 26 26 VAL N N 26 110.029 110.029 112.946 -2.917 17892 5426 1 18 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.856 -0.016 17892 5427 1 18 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.501 -0.670 17892 5428 1 18 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.121 0.468 17892 5429 1 18 . 1 1 26 26 VAL H H 26 7.908 7.908 8.122 -0.214 17892 5430 1 18 . 1 1 27 27 SER N N 27 114.372 114.372 116.106 -1.734 17892 5431 1 18 . 1 1 27 27 SER HA H 27 4.761 4.761 4.581 0.180 17892 5432 1 18 . 1 1 27 27 SER CA C 27 56.661 56.661 57.620 -0.959 17892 5433 1 18 . 1 1 27 27 SER CB C 27 62.712 62.712 63.932 -1.220 17892 5434 1 18 . 1 1 27 27 SER H H 27 8.401 8.401 8.097 0.304 17892 5435 1 18 . 1 1 28 28 ARG N N 28 115.199 115.199 122.301 -7.102 17892 5436 1 18 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.002 -0.272 17892 5437 1 18 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.452 -0.074 17892 5438 1 18 . 1 1 28 28 ARG CB C 28 29.600 29.600 29.871 -0.271 17892 5439 1 18 . 1 1 28 28 ARG H H 28 8.150 8.150 8.991 -0.841 17892 5440 1 18 . 1 1 29 29 GLN N N 29 117.559 117.559 117.194 0.365 17892 5441 1 18 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.105 0.007 17892 5442 1 18 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.499 0.136 17892 5443 1 18 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.163 -0.045 17892 5444 1 18 . 1 1 29 29 GLN H H 29 8.674 8.674 8.894 -0.220 17892 5445 1 18 . 1 1 30 30 THR N N 30 119.900 119.900 116.810 3.090 17892 5446 1 18 . 1 1 30 30 THR HA H 30 4.373 4.373 4.275 0.098 17892 5447 1 18 . 1 1 30 30 THR CA C 30 68.235 68.235 65.735 2.500 17892 5448 1 18 . 1 1 30 30 THR CB C 30 66.938 66.938 68.459 -1.521 17892 5449 1 18 . 1 1 30 30 THR H H 30 7.995 7.995 7.497 0.498 17892 5450 1 18 . 1 1 31 31 ILE N N 31 119.083 119.083 123.409 -4.326 17892 5451 1 18 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.778 -0.034 17892 5452 1 18 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.838 -1.522 17892 5453 1 18 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.494 -0.867 17892 5454 1 18 . 1 1 31 31 ILE H H 31 7.118 7.118 7.704 -0.586 17892 5455 1 18 . 1 1 32 32 ASN N N 32 118.406 118.406 119.333 -0.927 17892 5456 1 18 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.431 -0.105 17892 5457 1 18 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.231 0.386 17892 5458 1 18 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.462 1.034 17892 5459 1 18 . 1 1 32 32 ASN H H 32 8.533 8.533 9.140 -0.607 17892 5460 1 18 . 1 1 33 33 GLY N N 33 125.014 125.014 108.938 16.076 17892 5461 1 18 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.113 0.577 17892 5462 1 18 . 1 1 33 33 GLY H H 33 8.477 8.477 8.723 -0.246 17892 5463 1 18 . 1 1 34 34 ILE N N 34 122.677 122.677 122.925 -0.248 17892 5464 1 18 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.803 0.454 17892 5465 1 18 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.344 0.909 17892 5466 1 18 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.926 0.910 17892 5467 1 18 . 1 1 34 34 ILE H H 34 8.178 8.178 7.279 0.899 17892 5468 1 18 . 1 1 35 35 GLU N N 35 120.928 120.928 120.064 0.864 17892 5469 1 18 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.997 0.166 17892 5470 1 18 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.822 0.508 17892 5471 1 18 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.479 -0.077 17892 5472 1 18 . 1 1 35 35 GLU H H 35 8.537 8.537 8.550 -0.013 17892 5473 1 18 . 1 1 36 36 LYS N N 36 116.174 116.174 117.275 -1.101 17892 5474 1 18 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.157 0.313 17892 5475 1 18 . 1 1 36 36 LYS CA C 36 56.029 56.029 56.158 -0.129 17892 5476 1 18 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.025 0.464 17892 5477 1 18 . 1 1 36 36 LYS H H 36 7.978 7.978 8.459 -0.481 17892 5478 1 18 . 1 1 37 37 ASN N N 37 114.939 114.939 115.110 -0.171 17892 5479 1 18 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.350 0.318 17892 5480 1 18 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.105 0.946 17892 5481 1 18 . 1 1 37 37 ASN CB C 37 37.529 37.529 37.172 0.357 17892 5482 1 18 . 1 1 37 37 ASN H H 37 8.150 8.150 8.206 -0.056 17892 5483 1 18 . 1 1 38 38 LYS N N 38 115.469 115.469 119.042 -3.573 17892 5484 1 18 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.069 0.316 17892 5485 1 18 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.592 -1.832 17892 5486 1 18 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.368 0.225 17892 5487 1 18 . 1 1 38 38 LYS H H 38 8.586 8.586 8.183 0.403 17892 5488 1 18 . 1 1 39 39 TYR N N 39 117.011 117.011 112.758 4.253 17892 5489 1 18 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.798 -0.179 17892 5490 1 18 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.543 0.457 17892 5491 1 18 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.401 1.052 17892 5492 1 18 . 1 1 39 39 TYR H H 39 7.028 7.028 6.961 0.067 17892 5493 1 18 . 1 1 40 40 ASN N N 40 123.592 123.592 119.844 3.748 17892 5494 1 18 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.857 0.324 17892 5495 1 18 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.298 -1.063 17892 5496 1 18 . 1 1 40 40 ASN CB C 40 39.026 39.026 38.807 0.219 17892 5497 1 18 . 1 1 40 40 ASN H H 40 8.618 8.618 8.575 0.043 17892 5498 1 18 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.547 -0.783 17892 5499 1 18 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.463 0.585 17892 5500 1 18 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.303 -0.170 17892 5501 1 18 . 1 1 42 42 SER N N 42 125.240 125.240 115.950 9.290 17892 5502 1 18 . 1 1 42 42 SER HA H 42 4.530 4.530 4.361 0.169 17892 5503 1 18 . 1 1 42 42 SER CA C 42 58.052 58.052 57.657 0.395 17892 5504 1 18 . 1 1 42 42 SER CB C 42 64.643 64.643 63.940 0.703 17892 5505 1 18 . 1 1 42 42 SER H H 42 7.798 7.798 8.105 -0.307 17892 5506 1 18 . 1 1 43 43 LEU N N 43 121.149 121.149 125.113 -3.964 17892 5507 1 18 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.019 -0.154 17892 5508 1 18 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.528 0.323 17892 5509 1 18 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.621 -0.215 17892 5510 1 18 . 1 1 43 43 LEU H H 43 9.134 9.134 8.746 0.388 17892 5511 1 18 . 1 1 44 44 GLN N N 44 115.817 115.817 118.895 -3.078 17892 5512 1 18 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.090 -0.398 17892 5513 1 18 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.386 1.259 17892 5514 1 18 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.287 0.513 17892 5515 1 18 . 1 1 44 44 GLN H H 44 8.743 8.743 8.623 0.120 17892 5516 1 18 . 1 1 45 45 LEU N N 45 119.397 119.397 119.065 0.332 17892 5517 1 18 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.994 -0.106 17892 5518 1 18 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.490 -2.434 17892 5519 1 18 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.469 -0.292 17892 5520 1 18 . 1 1 45 45 LEU H H 45 7.895 7.895 8.023 -0.128 17892 5521 1 18 . 1 1 46 46 ALA N N 46 120.694 120.694 122.657 -1.963 17892 5522 1 18 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.940 0.052 17892 5523 1 18 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.343 0.735 17892 5524 1 18 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.057 1.896 17892 5525 1 18 . 1 1 46 46 ALA H H 46 8.437 8.437 8.725 -0.288 17892 5526 1 18 . 1 1 47 47 LEU N N 47 116.298 116.298 118.701 -2.403 17892 5527 1 18 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.901 0.254 17892 5528 1 18 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.107 -0.056 17892 5529 1 18 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.593 0.990 17892 5530 1 18 . 1 1 47 47 LEU H H 47 8.552 8.552 8.860 -0.308 17892 5531 1 18 . 1 1 48 48 LYS N N 48 120.836 120.836 119.970 0.866 17892 5532 1 18 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.937 -0.414 17892 5533 1 18 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.180 0.282 17892 5534 1 18 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.465 0.670 17892 5535 1 18 . 1 1 48 48 LYS H H 48 7.863 7.863 8.204 -0.341 17892 5536 1 18 . 1 1 49 49 ILE N N 49 120.259 120.259 120.382 -0.123 17892 5537 1 18 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.903 -0.339 17892 5538 1 18 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.426 2.108 17892 5539 1 18 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.934 0.270 17892 5540 1 18 . 1 1 49 49 ILE H H 49 8.621 8.621 8.575 0.046 17892 5541 1 18 . 1 1 50 50 ALA N N 50 120.672 120.672 123.633 -2.961 17892 5542 1 18 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.230 -0.211 17892 5543 1 18 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.026 0.981 17892 5544 1 18 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.473 0.082 17892 5545 1 18 . 1 1 50 50 ALA H H 50 8.033 8.033 8.586 -0.553 17892 5546 1 18 . 1 1 51 51 TYR N N 51 117.393 117.393 120.829 -3.436 17892 5547 1 18 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.035 0.271 17892 5548 1 18 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.051 -0.124 17892 5549 1 18 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.487 0.286 17892 5550 1 18 . 1 1 51 51 TYR H H 51 8.108 8.108 8.773 -0.665 17892 5551 1 18 . 1 1 52 52 TYR N N 52 118.419 118.419 118.101 0.318 17892 5552 1 18 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.222 0.068 17892 5553 1 18 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.800 1.365 17892 5554 1 18 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.885 -0.857 17892 5555 1 18 . 1 1 52 52 TYR H H 52 8.891 8.891 8.836 0.054 17892 5556 1 18 . 1 1 53 53 LEU N N 53 115.657 115.657 117.191 -1.534 17892 5557 1 18 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.320 0.150 17892 5558 1 18 . 1 1 53 53 LEU CA C 53 54.620 54.620 55.110 -0.490 17892 5559 1 18 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.861 -1.215 17892 5560 1 18 . 1 1 53 53 LEU H H 53 8.182 8.182 8.699 -0.517 17892 5561 1 18 . 1 1 54 54 ASN N N 54 122.127 122.127 117.496 4.631 17892 5562 1 18 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.346 0.062 17892 5563 1 18 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.352 -0.184 17892 5564 1 18 . 1 1 54 54 ASN CB C 54 38.167 38.167 36.907 1.260 17892 5565 1 18 . 1 1 54 54 ASN H H 54 8.048 8.048 7.938 0.110 17892 5566 1 18 . 1 1 55 55 THR N N 55 115.087 115.087 115.767 -0.680 17892 5567 1 18 . 1 1 55 55 THR HA H 55 4.902 4.902 4.716 0.186 17892 5568 1 18 . 1 1 55 55 THR CA C 55 60.449 60.449 60.206 0.243 17892 5569 1 18 . 1 1 55 55 THR CB C 55 75.269 75.269 70.885 4.384 17892 5570 1 18 . 1 1 55 55 THR H H 55 8.134 8.134 7.833 0.301 17892 5571 1 18 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.511 0.078 17892 5572 1 18 . 1 1 56 56 PRO CA C 56 63.145 63.145 63.182 -0.037 17892 5573 1 18 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.534 -0.053 17892 5574 1 18 . 1 1 57 57 LEU N N 57 127.729 127.729 127.266 0.463 17892 5575 1 18 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.099 -0.109 17892 5576 1 18 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.860 1.638 17892 5577 1 18 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.228 -0.185 17892 5578 1 18 . 1 1 57 57 LEU H H 57 9.788 9.788 8.604 1.184 17892 5579 1 18 . 1 1 58 58 GLU N N 58 123.764 123.764 119.484 4.280 17892 5580 1 18 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.324 0.510 17892 5581 1 18 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.921 0.117 17892 5582 1 18 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.931 0.677 17892 5583 1 18 . 1 1 58 58 GLU H H 58 9.188 9.188 8.624 0.564 17892 5584 1 18 . 1 1 59 59 ASP N N 59 117.867 117.867 117.931 -0.064 17892 5585 1 18 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.425 0.176 17892 5586 1 18 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.186 -0.013 17892 5587 1 18 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.567 -0.026 17892 5588 1 18 . 1 1 59 59 ASP H H 59 7.910 7.910 8.237 -0.327 17892 5589 1 18 . 1 1 60 60 ILE N N 60 119.503 119.503 117.981 1.522 17892 5590 1 18 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.677 -0.166 17892 5591 1 18 . 1 1 60 60 ILE CA C 60 64.347 64.347 64.071 0.276 17892 5592 1 18 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.688 1.278 17892 5593 1 18 . 1 1 60 60 ILE H H 60 8.104 8.104 7.268 0.836 17892 5594 1 18 . 1 1 61 61 PHE N N 61 116.398 116.398 117.661 -1.263 17892 5595 1 18 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.563 -0.103 17892 5596 1 18 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.345 0.663 17892 5597 1 18 . 1 1 61 61 PHE CB C 61 42.831 42.831 39.886 2.945 17892 5598 1 18 . 1 1 61 61 PHE H H 61 8.463 8.463 8.670 -0.207 17892 5599 1 18 . 1 1 62 62 GLN N N 62 117.212 117.212 121.049 -3.837 17892 5600 1 18 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.878 0.123 17892 5601 1 18 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.704 0.875 17892 5602 1 18 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.604 0.774 17892 5603 1 18 . 1 1 62 62 GLN H H 62 8.572 8.572 9.194 -0.622 17892 5604 1 18 . 1 1 63 63 TRP N N 63 125.622 125.622 127.497 -1.875 17892 5605 1 18 . 1 1 63 63 TRP HA H 63 5.176 5.176 5.025 0.151 17892 5606 1 18 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.059 0.093 17892 5607 1 18 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.610 0.644 17892 5608 1 18 . 1 1 63 63 TRP H H 63 9.278 9.278 8.870 0.408 17892 5609 1 18 . 1 1 64 64 GLN N N 64 126.649 126.649 127.495 -0.846 17892 5610 1 18 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.527 -0.321 17892 5611 1 18 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.653 -0.766 17892 5612 1 18 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.251 1.913 17892 5613 1 18 . 1 1 64 64 GLN H H 64 7.841 7.841 7.502 0.339 17892 5614 1 18 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.720 0.886 17892 5615 1 18 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.737 -0.635 17892 5616 1 18 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.176 -0.126 17892 5617 1 19 . 1 1 2 2 ILE N N 2 123.730 123.730 120.597 3.133 17892 5618 1 19 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.807 0.180 17892 5619 1 19 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.230 0.100 17892 5620 1 19 . 1 1 2 2 ILE CB C 2 39.577 39.577 40.294 -0.717 17892 5621 1 19 . 1 1 2 2 ILE H H 2 8.813 8.813 8.093 0.720 17892 5622 1 19 . 1 1 3 3 ILE N N 3 129.451 129.451 128.073 1.378 17892 5623 1 19 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.162 0.152 17892 5624 1 19 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.974 -0.262 17892 5625 1 19 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.023 -0.166 17892 5626 1 19 . 1 1 3 3 ILE H H 3 9.355 9.355 9.199 0.156 17892 5627 1 19 . 1 1 4 4 ASN N N 4 124.242 124.242 126.729 -2.487 17892 5628 1 19 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.111 0.339 17892 5629 1 19 . 1 1 4 4 ASN CA C 4 51.740 51.740 51.676 0.064 17892 5630 1 19 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.422 2.136 17892 5631 1 19 . 1 1 4 4 ASN H H 4 8.823 8.823 8.807 0.016 17892 5632 1 19 . 1 1 5 5 ASN N N 5 121.916 121.916 125.515 -3.599 17892 5633 1 19 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.749 0.631 17892 5634 1 19 . 1 1 5 5 ASN CA C 5 52.021 52.021 53.661 -1.640 17892 5635 1 19 . 1 1 5 5 ASN CB C 5 40.137 40.137 38.445 1.692 17892 5636 1 19 . 1 1 5 5 ASN H H 5 9.356 9.356 9.288 0.068 17892 5637 1 19 . 1 1 6 6 LEU N N 6 120.873 120.873 122.498 -1.625 17892 5638 1 19 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.804 -0.062 17892 5639 1 19 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.325 0.780 17892 5640 1 19 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.508 -0.153 17892 5641 1 19 . 1 1 6 6 LEU H H 6 8.419 8.419 9.037 -0.618 17892 5642 1 19 . 1 1 7 7 LYS N N 7 118.232 118.232 118.326 -0.094 17892 5643 1 19 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.996 -0.111 17892 5644 1 19 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.133 1.724 17892 5645 1 19 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.011 1.842 17892 5646 1 19 . 1 1 7 7 LYS H H 7 8.820 8.820 8.498 0.322 17892 5647 1 19 . 1 1 8 8 LEU N N 8 116.679 116.679 120.722 -4.043 17892 5648 1 19 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.139 -0.025 17892 5649 1 19 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.255 0.963 17892 5650 1 19 . 1 1 8 8 LEU CB C 8 42.578 42.578 42.121 0.457 17892 5651 1 19 . 1 1 8 8 LEU H H 8 7.443 7.443 7.455 -0.012 17892 5652 1 19 . 1 1 9 9 ILE N N 9 119.043 119.043 119.103 -0.060 17892 5653 1 19 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.560 0.219 17892 5654 1 19 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.316 -1.910 17892 5655 1 19 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.647 -0.722 17892 5656 1 19 . 1 1 9 9 ILE H H 9 8.133 8.133 8.676 -0.543 17892 5657 1 19 . 1 1 10 10 ARG N N 10 120.200 120.200 120.151 0.049 17892 5658 1 19 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.825 0.017 17892 5659 1 19 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.086 1.191 17892 5660 1 19 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.131 -1.097 17892 5661 1 19 . 1 1 10 10 ARG H H 10 9.128 9.128 8.963 0.165 17892 5662 1 19 . 1 1 11 11 GLU N N 11 116.457 116.457 117.449 -0.992 17892 5663 1 19 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.085 0.029 17892 5664 1 19 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.936 1.000 17892 5665 1 19 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.024 0.440 17892 5666 1 19 . 1 1 11 11 GLU H H 11 8.555 8.555 7.873 0.682 17892 5667 1 19 . 1 1 12 12 LYS N N 12 122.500 122.500 119.787 2.713 17892 5668 1 19 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.027 0.136 17892 5669 1 19 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.330 0.636 17892 5670 1 19 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.252 0.296 17892 5671 1 19 . 1 1 12 12 LYS H H 12 8.169 8.169 7.485 0.684 17892 5672 1 19 . 1 1 13 13 LYS N N 13 116.690 116.690 118.120 -1.430 17892 5673 1 19 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.181 0.084 17892 5674 1 19 . 1 1 13 13 LYS CA C 13 55.620 55.620 57.093 -1.473 17892 5675 1 19 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.277 -0.178 17892 5676 1 19 . 1 1 13 13 LYS H H 13 7.748 7.748 8.207 -0.459 17892 5677 1 19 . 1 1 14 14 LYS N N 14 115.251 115.251 112.554 2.697 17892 5678 1 19 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.941 -0.027 17892 5679 1 19 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.191 0.276 17892 5680 1 19 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.174 -1.258 17892 5681 1 19 . 1 1 14 14 LYS H H 14 7.978 7.978 8.232 -0.254 17892 5682 1 19 . 1 1 15 15 ILE N N 15 118.640 118.640 120.365 -1.725 17892 5683 1 19 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.400 0.167 17892 5684 1 19 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.018 0.603 17892 5685 1 19 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.663 0.510 17892 5686 1 19 . 1 1 15 15 ILE H H 15 7.508 7.508 7.469 0.039 17892 5687 1 19 . 1 1 16 16 SER N N 16 124.827 124.827 123.561 1.266 17892 5688 1 19 . 1 1 16 16 SER HA H 16 4.559 4.559 4.682 -0.123 17892 5689 1 19 . 1 1 16 16 SER CA C 16 57.422 57.422 57.674 -0.252 17892 5690 1 19 . 1 1 16 16 SER CB C 16 65.249 65.249 64.948 0.301 17892 5691 1 19 . 1 1 16 16 SER H H 16 9.220 9.220 9.902 -0.682 17892 5692 1 19 . 1 1 17 17 GLN N N 17 120.457 120.457 122.260 -1.803 17892 5693 1 19 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.994 -0.243 17892 5694 1 19 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.509 1.768 17892 5695 1 19 . 1 1 17 17 GLN CB C 17 29.601 29.601 27.859 1.742 17892 5696 1 19 . 1 1 17 17 GLN H H 17 9.364 9.364 9.019 0.345 17892 5697 1 19 . 1 1 18 18 SER N N 18 112.796 112.796 116.708 -3.912 17892 5698 1 19 . 1 1 18 18 SER HA H 18 4.739 4.739 4.061 0.678 17892 5699 1 19 . 1 1 18 18 SER CA C 18 63.145 63.145 61.853 1.292 17892 5700 1 19 . 1 1 18 18 SER CB C 18 65.724 65.724 62.643 3.081 17892 5701 1 19 . 1 1 18 18 SER H H 18 8.680 8.680 8.687 -0.007 17892 5702 1 19 . 1 1 19 19 GLU N N 19 124.363 124.363 121.521 2.842 17892 5703 1 19 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.080 -0.010 17892 5704 1 19 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.511 0.799 17892 5705 1 19 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.436 0.755 17892 5706 1 19 . 1 1 19 19 GLU H H 19 8.145 8.145 7.583 0.562 17892 5707 1 19 . 1 1 20 20 LEU N N 20 119.741 119.741 122.154 -2.413 17892 5708 1 19 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.967 0.133 17892 5709 1 19 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.726 0.381 17892 5710 1 19 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.502 0.053 17892 5711 1 19 . 1 1 20 20 LEU H H 20 8.161 8.161 8.074 0.087 17892 5712 1 19 . 1 1 21 21 ALA N N 21 119.970 119.970 121.320 -1.350 17892 5713 1 19 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.925 -0.236 17892 5714 1 19 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.194 0.626 17892 5715 1 19 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.989 -0.591 17892 5716 1 19 . 1 1 21 21 ALA H H 21 8.436 8.436 8.874 -0.438 17892 5717 1 19 . 1 1 22 22 ALA N N 22 117.873 117.873 121.482 -3.609 17892 5718 1 19 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.995 0.209 17892 5719 1 19 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.657 0.404 17892 5720 1 19 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.425 -0.190 17892 5721 1 19 . 1 1 22 22 ALA H H 22 7.709 7.709 7.510 0.199 17892 5722 1 19 . 1 1 23 23 LEU N N 23 118.771 118.771 118.280 0.491 17892 5723 1 19 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.579 0.336 17892 5724 1 19 . 1 1 23 23 LEU CA C 23 57.650 57.650 56.673 0.977 17892 5725 1 19 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.402 0.532 17892 5726 1 19 . 1 1 23 23 LEU H H 23 7.543 7.543 7.596 -0.053 17892 5727 1 19 . 1 1 24 24 LEU N N 24 114.703 114.703 115.859 -1.156 17892 5728 1 19 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.171 0.091 17892 5729 1 19 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.587 -0.736 17892 5730 1 19 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.601 1.382 17892 5731 1 19 . 1 1 24 24 LEU H H 24 7.430 7.430 7.911 -0.481 17892 5732 1 19 . 1 1 25 25 GLU N N 25 115.450 115.450 113.895 1.555 17892 5733 1 19 . 1 1 25 25 GLU HA H 25 3.906 3.906 3.972 -0.066 17892 5734 1 19 . 1 1 25 25 GLU CA C 25 57.786 57.786 56.986 0.800 17892 5735 1 19 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.601 -0.058 17892 5736 1 19 . 1 1 25 25 GLU H H 25 7.987 7.987 8.087 -0.100 17892 5737 1 19 . 1 1 26 26 VAL N N 26 110.029 110.029 112.858 -2.829 17892 5738 1 19 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.583 0.257 17892 5739 1 19 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.360 -0.529 17892 5740 1 19 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.377 0.212 17892 5741 1 19 . 1 1 26 26 VAL H H 26 7.908 7.908 8.027 -0.119 17892 5742 1 19 . 1 1 27 27 SER N N 27 114.372 114.372 116.483 -2.111 17892 5743 1 19 . 1 1 27 27 SER HA H 27 4.761 4.761 4.551 0.210 17892 5744 1 19 . 1 1 27 27 SER CA C 27 56.661 56.661 58.394 -1.733 17892 5745 1 19 . 1 1 27 27 SER CB C 27 62.712 62.712 64.259 -1.547 17892 5746 1 19 . 1 1 27 27 SER H H 27 8.401 8.401 8.272 0.129 17892 5747 1 19 . 1 1 28 28 ARG N N 28 115.199 115.199 123.310 -8.111 17892 5748 1 19 . 1 1 28 28 ARG HA H 28 3.730 3.730 4.000 -0.270 17892 5749 1 19 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.125 0.253 17892 5750 1 19 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.208 -0.608 17892 5751 1 19 . 1 1 28 28 ARG H H 28 8.150 8.150 8.952 -0.802 17892 5752 1 19 . 1 1 29 29 GLN N N 29 117.559 117.559 116.595 0.964 17892 5753 1 19 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.110 0.002 17892 5754 1 19 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.821 -0.186 17892 5755 1 19 . 1 1 29 29 GLN CB C 29 28.118 28.118 27.756 0.362 17892 5756 1 19 . 1 1 29 29 GLN H H 29 8.674 8.674 8.944 -0.270 17892 5757 1 19 . 1 1 30 30 THR N N 30 119.900 119.900 116.711 3.189 17892 5758 1 19 . 1 1 30 30 THR HA H 30 4.373 4.373 4.391 -0.018 17892 5759 1 19 . 1 1 30 30 THR CA C 30 68.235 68.235 66.403 1.832 17892 5760 1 19 . 1 1 30 30 THR CB C 30 66.938 66.938 68.471 -1.533 17892 5761 1 19 . 1 1 30 30 THR H H 30 7.995 7.995 7.867 0.128 17892 5762 1 19 . 1 1 31 31 ILE N N 31 119.083 119.083 122.404 -3.321 17892 5763 1 19 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.811 -0.067 17892 5764 1 19 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.945 -1.629 17892 5765 1 19 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.698 -1.071 17892 5766 1 19 . 1 1 31 31 ILE H H 31 7.118 7.118 7.540 -0.422 17892 5767 1 19 . 1 1 32 32 ASN N N 32 118.406 118.406 119.256 -0.850 17892 5768 1 19 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.481 -0.155 17892 5769 1 19 . 1 1 32 32 ASN CA C 32 57.617 57.617 56.573 1.044 17892 5770 1 19 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.005 1.491 17892 5771 1 19 . 1 1 32 32 ASN H H 32 8.533 8.533 8.938 -0.405 17892 5772 1 19 . 1 1 33 33 GLY N N 33 125.014 125.014 109.019 15.995 17892 5773 1 19 . 1 1 33 33 GLY CA C 33 47.690 47.690 46.892 0.798 17892 5774 1 19 . 1 1 33 33 GLY H H 33 8.477 8.477 8.906 -0.429 17892 5775 1 19 . 1 1 34 34 ILE N N 34 122.677 122.677 123.307 -0.630 17892 5776 1 19 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.960 0.297 17892 5777 1 19 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.539 0.713 17892 5778 1 19 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.075 0.761 17892 5779 1 19 . 1 1 34 34 ILE H H 34 8.178 8.178 7.784 0.394 17892 5780 1 19 . 1 1 35 35 GLU N N 35 120.928 120.928 119.126 1.802 17892 5781 1 19 . 1 1 35 35 GLU HA H 35 4.163 4.163 4.001 0.162 17892 5782 1 19 . 1 1 35 35 GLU CA C 35 60.330 60.330 58.991 1.339 17892 5783 1 19 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.728 -0.326 17892 5784 1 19 . 1 1 35 35 GLU H H 35 8.537 8.537 8.406 0.131 17892 5785 1 19 . 1 1 36 36 LYS N N 36 116.174 116.174 114.850 1.324 17892 5786 1 19 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.262 0.208 17892 5787 1 19 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.876 0.153 17892 5788 1 19 . 1 1 36 36 LYS CB C 36 32.489 32.489 32.458 0.031 17892 5789 1 19 . 1 1 36 36 LYS H H 36 7.978 7.978 8.046 -0.067 17892 5790 1 19 . 1 1 37 37 ASN N N 37 114.939 114.939 114.869 0.070 17892 5791 1 19 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.408 0.260 17892 5792 1 19 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.650 0.402 17892 5793 1 19 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.708 0.821 17892 5794 1 19 . 1 1 37 37 ASN H H 37 8.150 8.150 8.067 0.083 17892 5795 1 19 . 1 1 38 38 LYS N N 38 115.469 115.469 117.386 -1.917 17892 5796 1 19 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.036 0.349 17892 5797 1 19 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.526 -1.766 17892 5798 1 19 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.071 0.522 17892 5799 1 19 . 1 1 38 38 LYS H H 38 8.586 8.586 8.274 0.312 17892 5800 1 19 . 1 1 39 39 TYR N N 39 117.011 117.011 113.043 3.968 17892 5801 1 19 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.757 -0.138 17892 5802 1 19 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.435 0.565 17892 5803 1 19 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.216 1.237 17892 5804 1 19 . 1 1 39 39 TYR H H 39 7.028 7.028 6.929 0.098 17892 5805 1 19 . 1 1 40 40 ASN N N 40 123.592 123.592 119.662 3.930 17892 5806 1 19 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.988 0.193 17892 5807 1 19 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.597 -0.362 17892 5808 1 19 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.542 -0.516 17892 5809 1 19 . 1 1 40 40 ASN H H 40 8.618 8.618 8.549 0.069 17892 5810 1 19 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.433 -0.669 17892 5811 1 19 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.548 0.500 17892 5812 1 19 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.121 0.012 17892 5813 1 19 . 1 1 42 42 SER N N 42 125.240 125.240 115.068 10.172 17892 5814 1 19 . 1 1 42 42 SER HA H 42 4.530 4.530 4.309 0.221 17892 5815 1 19 . 1 1 42 42 SER CA C 42 58.052 58.052 58.417 -0.365 17892 5816 1 19 . 1 1 42 42 SER CB C 42 64.643 64.643 63.980 0.663 17892 5817 1 19 . 1 1 42 42 SER H H 42 7.798 7.798 8.202 -0.404 17892 5818 1 19 . 1 1 43 43 LEU N N 43 121.149 121.149 124.977 -3.828 17892 5819 1 19 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.036 -0.171 17892 5820 1 19 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.540 0.311 17892 5821 1 19 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.557 -0.151 17892 5822 1 19 . 1 1 43 43 LEU H H 43 9.134 9.134 8.722 0.412 17892 5823 1 19 . 1 1 44 44 GLN N N 44 115.817 115.817 118.895 -3.078 17892 5824 1 19 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.058 -0.366 17892 5825 1 19 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.487 1.158 17892 5826 1 19 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.290 0.510 17892 5827 1 19 . 1 1 44 44 GLN H H 44 8.743 8.743 8.582 0.161 17892 5828 1 19 . 1 1 45 45 LEU N N 45 119.397 119.397 119.439 -0.042 17892 5829 1 19 . 1 1 45 45 LEU HA H 45 3.888 3.888 3.996 -0.108 17892 5830 1 19 . 1 1 45 45 LEU CA C 45 55.056 55.056 58.087 -3.031 17892 5831 1 19 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.147 0.030 17892 5832 1 19 . 1 1 45 45 LEU H H 45 7.895 7.895 7.999 -0.104 17892 5833 1 19 . 1 1 46 46 ALA N N 46 120.694 120.694 122.451 -1.757 17892 5834 1 19 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.784 0.208 17892 5835 1 19 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.373 0.705 17892 5836 1 19 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.122 1.831 17892 5837 1 19 . 1 1 46 46 ALA H H 46 8.437 8.437 8.722 -0.285 17892 5838 1 19 . 1 1 47 47 LEU N N 47 116.298 116.298 118.868 -2.570 17892 5839 1 19 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.903 0.252 17892 5840 1 19 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.179 -0.128 17892 5841 1 19 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.622 0.961 17892 5842 1 19 . 1 1 47 47 LEU H H 47 8.552 8.552 8.815 -0.263 17892 5843 1 19 . 1 1 48 48 LYS N N 48 120.836 120.836 120.116 0.720 17892 5844 1 19 . 1 1 48 48 LYS HA H 48 3.523 3.523 4.058 -0.535 17892 5845 1 19 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.349 0.113 17892 5846 1 19 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.554 0.581 17892 5847 1 19 . 1 1 48 48 LYS H H 48 7.863 7.863 8.666 -0.803 17892 5848 1 19 . 1 1 49 49 ILE N N 49 120.259 120.259 120.289 -0.030 17892 5849 1 19 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.830 -0.266 17892 5850 1 19 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.772 1.762 17892 5851 1 19 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.997 0.206 17892 5852 1 19 . 1 1 49 49 ILE H H 49 8.621 8.621 8.747 -0.126 17892 5853 1 19 . 1 1 50 50 ALA N N 50 120.672 120.672 123.741 -3.069 17892 5854 1 19 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.207 -0.188 17892 5855 1 19 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.170 0.837 17892 5856 1 19 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.372 0.183 17892 5857 1 19 . 1 1 50 50 ALA H H 50 8.033 8.033 8.522 -0.489 17892 5858 1 19 . 1 1 51 51 TYR N N 51 117.393 117.393 120.857 -3.464 17892 5859 1 19 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.044 0.262 17892 5860 1 19 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.118 -0.191 17892 5861 1 19 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.573 0.200 17892 5862 1 19 . 1 1 51 51 TYR H H 51 8.108 8.108 8.952 -0.844 17892 5863 1 19 . 1 1 52 52 TYR N N 52 118.419 118.419 118.399 0.020 17892 5864 1 19 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.227 0.063 17892 5865 1 19 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.889 1.276 17892 5866 1 19 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.855 -0.827 17892 5867 1 19 . 1 1 52 52 TYR H H 52 8.891 8.891 8.877 0.014 17892 5868 1 19 . 1 1 53 53 LEU N N 53 115.657 115.657 117.079 -1.422 17892 5869 1 19 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.433 0.037 17892 5870 1 19 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.749 -0.129 17892 5871 1 19 . 1 1 53 53 LEU CB C 53 40.646 40.646 42.001 -1.355 17892 5872 1 19 . 1 1 53 53 LEU H H 53 8.182 8.182 8.575 -0.393 17892 5873 1 19 . 1 1 54 54 ASN N N 54 122.127 122.127 116.728 5.399 17892 5874 1 19 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.308 0.100 17892 5875 1 19 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.070 0.098 17892 5876 1 19 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.373 0.794 17892 5877 1 19 . 1 1 54 54 ASN H H 54 8.048 8.048 7.719 0.329 17892 5878 1 19 . 1 1 55 55 THR N N 55 115.087 115.087 115.184 -0.097 17892 5879 1 19 . 1 1 55 55 THR HA H 55 4.902 4.902 4.748 0.154 17892 5880 1 19 . 1 1 55 55 THR CA C 55 60.449 60.449 60.223 0.226 17892 5881 1 19 . 1 1 55 55 THR CB C 55 75.269 75.269 70.516 4.753 17892 5882 1 19 . 1 1 55 55 THR H H 55 8.134 8.134 7.971 0.163 17892 5883 1 19 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.497 0.092 17892 5884 1 19 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.666 0.479 17892 5885 1 19 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.403 0.078 17892 5886 1 19 . 1 1 57 57 LEU N N 57 127.729 127.729 127.115 0.614 17892 5887 1 19 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.183 -0.193 17892 5888 1 19 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.652 1.846 17892 5889 1 19 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.302 -0.259 17892 5890 1 19 . 1 1 57 57 LEU H H 57 9.788 9.788 8.595 1.193 17892 5891 1 19 . 1 1 58 58 GLU N N 58 123.764 123.764 119.455 4.309 17892 5892 1 19 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.354 0.480 17892 5893 1 19 . 1 1 58 58 GLU CA C 58 59.038 59.038 58.884 0.154 17892 5894 1 19 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.983 0.625 17892 5895 1 19 . 1 1 58 58 GLU H H 58 9.188 9.188 8.641 0.547 17892 5896 1 19 . 1 1 59 59 ASP N N 59 117.867 117.867 118.329 -0.462 17892 5897 1 19 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.445 0.156 17892 5898 1 19 . 1 1 59 59 ASP CA C 59 56.173 56.173 55.795 0.378 17892 5899 1 19 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.795 -0.254 17892 5900 1 19 . 1 1 59 59 ASP H H 59 7.910 7.910 8.245 -0.335 17892 5901 1 19 . 1 1 60 60 ILE N N 60 119.503 119.503 117.780 1.723 17892 5902 1 19 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.719 -0.208 17892 5903 1 19 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.994 0.353 17892 5904 1 19 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.988 0.978 17892 5905 1 19 . 1 1 60 60 ILE H H 60 8.104 8.104 7.265 0.839 17892 5906 1 19 . 1 1 61 61 PHE N N 61 116.398 116.398 117.590 -1.192 17892 5907 1 19 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.582 -0.122 17892 5908 1 19 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.672 0.336 17892 5909 1 19 . 1 1 61 61 PHE CB C 61 42.831 42.831 41.075 1.756 17892 5910 1 19 . 1 1 61 61 PHE H H 61 8.463 8.463 8.696 -0.233 17892 5911 1 19 . 1 1 62 62 GLN N N 62 117.212 117.212 120.258 -3.046 17892 5912 1 19 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.862 0.139 17892 5913 1 19 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.827 0.752 17892 5914 1 19 . 1 1 62 62 GLN CB C 62 32.378 32.378 32.101 0.277 17892 5915 1 19 . 1 1 62 62 GLN H H 62 8.572 8.572 9.141 -0.569 17892 5916 1 19 . 1 1 63 63 TRP N N 63 125.622 125.622 128.474 -2.852 17892 5917 1 19 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.861 0.315 17892 5918 1 19 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.337 -0.186 17892 5919 1 19 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.490 0.764 17892 5920 1 19 . 1 1 63 63 TRP H H 63 9.278 9.278 8.898 0.380 17892 5921 1 19 . 1 1 64 64 GLN N N 64 126.649 126.649 126.151 0.498 17892 5922 1 19 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.424 -0.218 17892 5923 1 19 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.446 -0.559 17892 5924 1 19 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.736 1.428 17892 5925 1 19 . 1 1 64 64 GLN H H 64 7.841 7.841 7.333 0.508 17892 5926 1 19 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.744 0.862 17892 5927 1 19 . 1 1 65 65 PRO CA C 65 62.102 62.102 64.048 -1.946 17892 5928 1 19 . 1 1 65 65 PRO CB C 65 32.050 32.050 32.041 0.009 17892 5929 1 20 . 1 1 2 2 ILE N N 2 123.730 123.730 121.143 2.587 17892 5930 1 20 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.859 0.128 17892 5931 1 20 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.418 -0.088 17892 5932 1 20 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.179 0.398 17892 5933 1 20 . 1 1 2 2 ILE H H 2 8.813 8.813 8.642 0.171 17892 5934 1 20 . 1 1 3 3 ILE N N 3 129.451 129.451 129.280 0.171 17892 5935 1 20 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.177 0.137 17892 5936 1 20 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.668 0.044 17892 5937 1 20 . 1 1 3 3 ILE CB C 3 38.857 38.857 39.287 -0.430 17892 5938 1 20 . 1 1 3 3 ILE H H 3 9.355 9.355 9.289 0.066 17892 5939 1 20 . 1 1 4 4 ASN N N 4 124.242 124.242 126.435 -2.193 17892 5940 1 20 . 1 1 4 4 ASN HA H 4 5.450 5.450 4.963 0.487 17892 5941 1 20 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.423 -0.683 17892 5942 1 20 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.254 2.304 17892 5943 1 20 . 1 1 4 4 ASN H H 4 8.823 8.823 8.922 -0.099 17892 5944 1 20 . 1 1 5 5 ASN N N 5 121.916 121.916 124.006 -2.090 17892 5945 1 20 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.875 0.505 17892 5946 1 20 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.426 -0.405 17892 5947 1 20 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.307 0.830 17892 5948 1 20 . 1 1 5 5 ASN H H 5 9.356 9.356 9.100 0.256 17892 5949 1 20 . 1 1 6 6 LEU N N 6 120.873 120.873 123.247 -2.374 17892 5950 1 20 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.806 -0.064 17892 5951 1 20 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.268 0.837 17892 5952 1 20 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.551 -0.196 17892 5953 1 20 . 1 1 6 6 LEU H H 6 8.419 8.419 9.124 -0.705 17892 5954 1 20 . 1 1 7 7 LYS N N 7 118.232 118.232 117.840 0.392 17892 5955 1 20 . 1 1 7 7 LYS HA H 7 3.885 3.885 3.991 -0.106 17892 5956 1 20 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.108 1.749 17892 5957 1 20 . 1 1 7 7 LYS CB C 7 32.853 32.853 30.790 2.063 17892 5958 1 20 . 1 1 7 7 LYS H H 7 8.820 8.820 8.461 0.359 17892 5959 1 20 . 1 1 8 8 LEU N N 8 116.679 116.679 120.745 -4.066 17892 5960 1 20 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.093 0.021 17892 5961 1 20 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.240 0.977 17892 5962 1 20 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.917 0.661 17892 5963 1 20 . 1 1 8 8 LEU H H 8 7.443 7.443 7.500 -0.057 17892 5964 1 20 . 1 1 9 9 ILE N N 9 119.043 119.043 118.693 0.350 17892 5965 1 20 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.562 0.217 17892 5966 1 20 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.082 -1.676 17892 5967 1 20 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.572 -0.647 17892 5968 1 20 . 1 1 9 9 ILE H H 9 8.133 8.133 8.439 -0.306 17892 5969 1 20 . 1 1 10 10 ARG N N 10 120.200 120.200 120.593 -0.393 17892 5970 1 20 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.863 -0.021 17892 5971 1 20 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.033 1.244 17892 5972 1 20 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.057 -1.023 17892 5973 1 20 . 1 1 10 10 ARG H H 10 9.128 9.128 8.890 0.238 17892 5974 1 20 . 1 1 11 11 GLU N N 11 116.457 116.457 118.037 -1.580 17892 5975 1 20 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.179 -0.065 17892 5976 1 20 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.385 1.551 17892 5977 1 20 . 1 1 11 11 GLU CB C 11 29.464 29.464 28.971 0.493 17892 5978 1 20 . 1 1 11 11 GLU H H 11 8.555 8.555 7.883 0.672 17892 5979 1 20 . 1 1 12 12 LYS N N 12 122.500 122.500 119.432 3.068 17892 5980 1 20 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.074 0.089 17892 5981 1 20 . 1 1 12 12 LYS CA C 12 59.966 59.966 58.598 1.368 17892 5982 1 20 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.753 -0.205 17892 5983 1 20 . 1 1 12 12 LYS H H 12 8.169 8.169 7.748 0.421 17892 5984 1 20 . 1 1 13 13 LYS N N 13 116.690 116.690 116.662 0.028 17892 5985 1 20 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.276 -0.011 17892 5986 1 20 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.051 -0.431 17892 5987 1 20 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.703 -0.604 17892 5988 1 20 . 1 1 13 13 LYS H H 13 7.748 7.748 7.600 0.148 17892 5989 1 20 . 1 1 14 14 LYS N N 14 115.251 115.251 115.794 -0.543 17892 5990 1 20 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.833 0.081 17892 5991 1 20 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.149 0.318 17892 5992 1 20 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.532 -1.617 17892 5993 1 20 . 1 1 14 14 LYS H H 14 7.978 7.978 8.415 -0.437 17892 5994 1 20 . 1 1 15 15 ILE N N 15 118.640 118.640 119.560 -0.920 17892 5995 1 20 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.214 0.353 17892 5996 1 20 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.807 -0.186 17892 5997 1 20 . 1 1 15 15 ILE CB C 15 41.173 41.173 39.958 1.215 17892 5998 1 20 . 1 1 15 15 ILE H H 15 7.508 7.508 7.443 0.065 17892 5999 1 20 . 1 1 16 16 SER N N 16 124.827 124.827 121.923 2.904 17892 6000 1 20 . 1 1 16 16 SER HA H 16 4.559 4.559 4.520 0.039 17892 6001 1 20 . 1 1 16 16 SER CA C 16 57.422 57.422 58.175 -0.753 17892 6002 1 20 . 1 1 16 16 SER CB C 16 65.249 65.249 64.430 0.819 17892 6003 1 20 . 1 1 16 16 SER H H 16 9.220 9.220 9.506 -0.286 17892 6004 1 20 . 1 1 17 17 GLN N N 17 120.457 120.457 123.767 -3.310 17892 6005 1 20 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.954 -0.203 17892 6006 1 20 . 1 1 17 17 GLN CA C 17 61.277 61.277 60.347 0.930 17892 6007 1 20 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.410 1.190 17892 6008 1 20 . 1 1 17 17 GLN H H 17 9.364 9.364 8.859 0.505 17892 6009 1 20 . 1 1 18 18 SER N N 18 112.796 112.796 115.216 -2.420 17892 6010 1 20 . 1 1 18 18 SER HA H 18 4.739 4.739 4.066 0.673 17892 6011 1 20 . 1 1 18 18 SER CA C 18 63.145 63.145 62.055 1.090 17892 6012 1 20 . 1 1 18 18 SER CB C 18 65.724 65.724 62.494 3.230 17892 6013 1 20 . 1 1 18 18 SER H H 18 8.680 8.680 8.680 -0.000 17892 6014 1 20 . 1 1 19 19 GLU N N 19 124.363 124.363 122.040 2.323 17892 6015 1 20 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.132 -0.062 17892 6016 1 20 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.804 0.506 17892 6017 1 20 . 1 1 19 19 GLU CB C 19 30.191 30.191 28.999 1.192 17892 6018 1 20 . 1 1 19 19 GLU H H 19 8.145 8.145 8.410 -0.265 17892 6019 1 20 . 1 1 20 20 LEU N N 20 119.741 119.741 122.090 -2.349 17892 6020 1 20 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.932 0.168 17892 6021 1 20 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.726 0.381 17892 6022 1 20 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.422 0.133 17892 6023 1 20 . 1 1 20 20 LEU H H 20 8.161 8.161 8.482 -0.321 17892 6024 1 20 . 1 1 21 21 ALA N N 21 119.970 119.970 121.544 -1.574 17892 6025 1 20 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.923 -0.234 17892 6026 1 20 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.123 0.697 17892 6027 1 20 . 1 1 21 21 ALA CB C 21 17.398 17.398 18.074 -0.676 17892 6028 1 20 . 1 1 21 21 ALA H H 21 8.436 8.436 8.791 -0.355 17892 6029 1 20 . 1 1 22 22 ALA N N 22 117.873 117.873 122.609 -4.736 17892 6030 1 20 . 1 1 22 22 ALA HA H 22 4.204 4.204 3.996 0.208 17892 6031 1 20 . 1 1 22 22 ALA CA C 22 55.061 55.061 55.101 -0.040 17892 6032 1 20 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.713 -0.478 17892 6033 1 20 . 1 1 22 22 ALA H H 22 7.709 7.709 8.207 -0.498 17892 6034 1 20 . 1 1 23 23 LEU N N 23 118.771 118.771 116.946 1.825 17892 6035 1 20 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.956 -0.041 17892 6036 1 20 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.310 0.340 17892 6037 1 20 . 1 1 23 23 LEU CB C 23 41.934 41.934 40.377 1.557 17892 6038 1 20 . 1 1 23 23 LEU H H 23 7.543 7.543 8.260 -0.717 17892 6039 1 20 . 1 1 24 24 LEU N N 24 114.703 114.703 120.340 -5.637 17892 6040 1 20 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.085 0.177 17892 6041 1 20 . 1 1 24 24 LEU CA C 24 55.851 55.851 57.376 -1.525 17892 6042 1 20 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.405 1.578 17892 6043 1 20 . 1 1 24 24 LEU H H 24 7.430 7.430 8.166 -0.736 17892 6044 1 20 . 1 1 25 25 GLU N N 25 115.450 115.450 112.853 2.597 17892 6045 1 20 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.077 -0.171 17892 6046 1 20 . 1 1 25 25 GLU CA C 25 57.786 57.786 56.984 0.802 17892 6047 1 20 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.643 -0.100 17892 6048 1 20 . 1 1 25 25 GLU H H 25 7.987 7.987 8.041 -0.054 17892 6049 1 20 . 1 1 26 26 VAL N N 26 110.029 110.029 112.788 -2.759 17892 6050 1 20 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.553 0.287 17892 6051 1 20 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.234 -0.403 17892 6052 1 20 . 1 1 26 26 VAL CB C 26 35.589 35.589 34.871 0.718 17892 6053 1 20 . 1 1 26 26 VAL H H 26 7.908 7.908 8.226 -0.318 17892 6054 1 20 . 1 1 27 27 SER N N 27 114.372 114.372 116.247 -1.875 17892 6055 1 20 . 1 1 27 27 SER HA H 27 4.761 4.761 4.562 0.199 17892 6056 1 20 . 1 1 27 27 SER CA C 27 56.661 56.661 58.097 -1.436 17892 6057 1 20 . 1 1 27 27 SER CB C 27 62.712 62.712 64.486 -1.774 17892 6058 1 20 . 1 1 27 27 SER H H 27 8.401 8.401 8.383 0.019 17892 6059 1 20 . 1 1 28 28 ARG N N 28 115.199 115.199 125.058 -9.859 17892 6060 1 20 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.958 -0.228 17892 6061 1 20 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.442 -0.064 17892 6062 1 20 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.056 -0.456 17892 6063 1 20 . 1 1 28 28 ARG H H 28 8.150 8.150 8.928 -0.778 17892 6064 1 20 . 1 1 29 29 GLN N N 29 117.559 117.559 117.974 -0.415 17892 6065 1 20 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.183 -0.071 17892 6066 1 20 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.947 -0.312 17892 6067 1 20 . 1 1 29 29 GLN CB C 29 28.118 28.118 27.682 0.436 17892 6068 1 20 . 1 1 29 29 GLN H H 29 8.674 8.674 8.837 -0.163 17892 6069 1 20 . 1 1 30 30 THR N N 30 119.900 119.900 117.400 2.500 17892 6070 1 20 . 1 1 30 30 THR HA H 30 4.373 4.373 4.296 0.077 17892 6071 1 20 . 1 1 30 30 THR CA C 30 68.235 68.235 66.572 1.663 17892 6072 1 20 . 1 1 30 30 THR CB C 30 66.938 66.938 68.461 -1.523 17892 6073 1 20 . 1 1 30 30 THR H H 30 7.995 7.995 8.157 -0.162 17892 6074 1 20 . 1 1 31 31 ILE N N 31 119.083 119.083 123.102 -4.019 17892 6075 1 20 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.752 -0.008 17892 6076 1 20 . 1 1 31 31 ILE CA C 31 62.316 62.316 64.068 -1.752 17892 6077 1 20 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.423 -0.796 17892 6078 1 20 . 1 1 31 31 ILE H H 31 7.118 7.118 8.347 -1.229 17892 6079 1 20 . 1 1 32 32 ASN N N 32 118.406 118.406 119.574 -1.168 17892 6080 1 20 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.587 -0.261 17892 6081 1 20 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.238 0.379 17892 6082 1 20 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.463 1.033 17892 6083 1 20 . 1 1 32 32 ASN H H 32 8.533 8.533 8.832 -0.299 17892 6084 1 20 . 1 1 33 33 GLY N N 33 125.014 125.014 109.182 15.832 17892 6085 1 20 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.191 0.499 17892 6086 1 20 . 1 1 33 33 GLY H H 33 8.477 8.477 8.747 -0.270 17892 6087 1 20 . 1 1 34 34 ILE N N 34 122.677 122.677 122.935 -0.258 17892 6088 1 20 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.629 0.628 17892 6089 1 20 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.528 0.724 17892 6090 1 20 . 1 1 34 34 ILE CB C 34 38.836 38.836 38.025 0.811 17892 6091 1 20 . 1 1 34 34 ILE H H 34 8.178 8.178 8.014 0.164 17892 6092 1 20 . 1 1 35 35 GLU N N 35 120.928 120.928 119.822 1.106 17892 6093 1 20 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.988 0.175 17892 6094 1 20 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.602 0.728 17892 6095 1 20 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.625 -0.223 17892 6096 1 20 . 1 1 35 35 GLU H H 35 8.537 8.537 8.704 -0.167 17892 6097 1 20 . 1 1 36 36 LYS N N 36 116.174 116.174 117.283 -1.109 17892 6098 1 20 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.193 0.277 17892 6099 1 20 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.117 0.912 17892 6100 1 20 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.330 1.159 17892 6101 1 20 . 1 1 36 36 LYS H H 36 7.978 7.978 8.435 -0.457 17892 6102 1 20 . 1 1 37 37 ASN N N 37 114.939 114.939 114.074 0.865 17892 6103 1 20 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.371 0.297 17892 6104 1 20 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.739 0.313 17892 6105 1 20 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.536 0.993 17892 6106 1 20 . 1 1 37 37 ASN H H 37 8.150 8.150 7.845 0.305 17892 6107 1 20 . 1 1 38 38 LYS N N 38 115.469 115.469 116.969 -1.500 17892 6108 1 20 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.094 0.291 17892 6109 1 20 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.758 -1.998 17892 6110 1 20 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.278 0.315 17892 6111 1 20 . 1 1 38 38 LYS H H 38 8.586 8.586 8.116 0.470 17892 6112 1 20 . 1 1 39 39 TYR N N 39 117.011 117.011 114.434 2.577 17892 6113 1 20 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.787 -0.168 17892 6114 1 20 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.463 0.537 17892 6115 1 20 . 1 1 39 39 TYR CB C 39 40.453 40.453 40.205 0.248 17892 6116 1 20 . 1 1 39 39 TYR H H 39 7.028 7.028 6.936 0.092 17892 6117 1 20 . 1 1 40 40 ASN N N 40 123.592 123.592 120.270 3.322 17892 6118 1 20 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.936 0.245 17892 6119 1 20 . 1 1 40 40 ASN CA C 40 50.235 50.235 51.849 -1.614 17892 6120 1 20 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.585 -0.559 17892 6121 1 20 . 1 1 40 40 ASN H H 40 8.618 8.618 8.805 -0.187 17892 6122 1 20 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.499 -0.735 17892 6123 1 20 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.423 0.625 17892 6124 1 20 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.230 -0.097 17892 6125 1 20 . 1 1 42 42 SER N N 42 125.240 125.240 115.274 9.966 17892 6126 1 20 . 1 1 42 42 SER HA H 42 4.530 4.530 4.326 0.204 17892 6127 1 20 . 1 1 42 42 SER CA C 42 58.052 58.052 58.205 -0.153 17892 6128 1 20 . 1 1 42 42 SER CB C 42 64.643 64.643 63.691 0.952 17892 6129 1 20 . 1 1 42 42 SER H H 42 7.798 7.798 8.273 -0.475 17892 6130 1 20 . 1 1 43 43 LEU N N 43 121.149 121.149 125.152 -4.003 17892 6131 1 20 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.041 -0.176 17892 6132 1 20 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.555 0.296 17892 6133 1 20 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.679 -0.273 17892 6134 1 20 . 1 1 43 43 LEU H H 43 9.134 9.134 8.665 0.469 17892 6135 1 20 . 1 1 44 44 GLN N N 44 115.817 115.817 118.981 -3.164 17892 6136 1 20 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.095 -0.403 17892 6137 1 20 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.417 1.228 17892 6138 1 20 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.270 0.530 17892 6139 1 20 . 1 1 44 44 GLN H H 44 8.743 8.743 8.658 0.085 17892 6140 1 20 . 1 1 45 45 LEU N N 45 119.397 119.397 119.158 0.239 17892 6141 1 20 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.014 -0.126 17892 6142 1 20 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.596 -2.540 17892 6143 1 20 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.472 -0.295 17892 6144 1 20 . 1 1 45 45 LEU H H 45 7.895 7.895 8.092 -0.197 17892 6145 1 20 . 1 1 46 46 ALA N N 46 120.694 120.694 122.444 -1.750 17892 6146 1 20 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.996 -0.004 17892 6147 1 20 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.350 0.728 17892 6148 1 20 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.149 1.804 17892 6149 1 20 . 1 1 46 46 ALA H H 46 8.437 8.437 8.514 -0.077 17892 6150 1 20 . 1 1 47 47 LEU N N 47 116.298 116.298 118.933 -2.635 17892 6151 1 20 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.890 0.265 17892 6152 1 20 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.176 -0.125 17892 6153 1 20 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.630 0.952 17892 6154 1 20 . 1 1 47 47 LEU H H 47 8.552 8.552 8.881 -0.329 17892 6155 1 20 . 1 1 48 48 LYS N N 48 120.836 120.836 120.442 0.394 17892 6156 1 20 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.992 -0.469 17892 6157 1 20 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.179 0.283 17892 6158 1 20 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.524 0.611 17892 6159 1 20 . 1 1 48 48 LYS H H 48 7.863 7.863 8.684 -0.821 17892 6160 1 20 . 1 1 49 49 ILE N N 49 120.259 120.259 120.610 -0.351 17892 6161 1 20 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.849 -0.285 17892 6162 1 20 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.902 1.632 17892 6163 1 20 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.948 0.255 17892 6164 1 20 . 1 1 49 49 ILE H H 49 8.621 8.621 8.588 0.033 17892 6165 1 20 . 1 1 50 50 ALA N N 50 120.672 120.672 123.811 -3.139 17892 6166 1 20 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.248 -0.229 17892 6167 1 20 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.121 0.886 17892 6168 1 20 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.401 0.154 17892 6169 1 20 . 1 1 50 50 ALA H H 50 8.033 8.033 8.749 -0.716 17892 6170 1 20 . 1 1 51 51 TYR N N 51 117.393 117.393 120.391 -2.998 17892 6171 1 20 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.036 0.270 17892 6172 1 20 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.170 -0.243 17892 6173 1 20 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.516 0.257 17892 6174 1 20 . 1 1 51 51 TYR H H 51 8.108 8.108 8.622 -0.514 17892 6175 1 20 . 1 1 52 52 TYR N N 52 118.419 118.419 117.755 0.664 17892 6176 1 20 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.254 0.036 17892 6177 1 20 . 1 1 52 52 TYR CA C 52 63.165 63.165 62.079 1.086 17892 6178 1 20 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.773 -0.745 17892 6179 1 20 . 1 1 52 52 TYR H H 52 8.891 8.891 8.782 0.109 17892 6180 1 20 . 1 1 53 53 LEU N N 53 115.657 115.657 114.172 1.485 17892 6181 1 20 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.414 0.056 17892 6182 1 20 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.489 0.131 17892 6183 1 20 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.965 -1.319 17892 6184 1 20 . 1 1 53 53 LEU H H 53 8.182 8.182 8.443 -0.261 17892 6185 1 20 . 1 1 54 54 ASN N N 54 122.127 122.127 117.662 4.465 17892 6186 1 20 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.315 0.093 17892 6187 1 20 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.172 -0.004 17892 6188 1 20 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.224 0.943 17892 6189 1 20 . 1 1 54 54 ASN H H 54 8.048 8.048 7.713 0.335 17892 6190 1 20 . 1 1 55 55 THR N N 55 115.087 115.087 115.735 -0.648 17892 6191 1 20 . 1 1 55 55 THR HA H 55 4.902 4.902 4.755 0.147 17892 6192 1 20 . 1 1 55 55 THR CA C 55 60.449 60.449 60.087 0.362 17892 6193 1 20 . 1 1 55 55 THR CB C 55 75.269 75.269 71.027 4.242 17892 6194 1 20 . 1 1 55 55 THR H H 55 8.134 8.134 8.047 0.087 17892 6195 1 20 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.504 0.085 17892 6196 1 20 . 1 1 56 56 PRO CA C 56 63.145 63.145 63.259 -0.114 17892 6197 1 20 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.435 0.046 17892 6198 1 20 . 1 1 57 57 LEU N N 57 127.729 127.729 126.322 1.407 17892 6199 1 20 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.164 -0.174 17892 6200 1 20 . 1 1 57 57 LEU CA C 57 60.498 60.498 59.193 1.306 17892 6201 1 20 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.238 -0.195 17892 6202 1 20 . 1 1 57 57 LEU H H 57 9.788 9.788 8.605 1.183 17892 6203 1 20 . 1 1 58 58 GLU N N 58 123.764 123.764 118.761 5.003 17892 6204 1 20 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.443 0.391 17892 6205 1 20 . 1 1 58 58 GLU CA C 58 59.038 59.038 59.404 -0.366 17892 6206 1 20 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.858 0.750 17892 6207 1 20 . 1 1 58 58 GLU H H 58 9.188 9.188 8.709 0.479 17892 6208 1 20 . 1 1 59 59 ASP N N 59 117.867 117.867 116.694 1.173 17892 6209 1 20 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.408 0.193 17892 6210 1 20 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.256 -0.083 17892 6211 1 20 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.682 -0.141 17892 6212 1 20 . 1 1 59 59 ASP H H 59 7.910 7.910 8.300 -0.390 17892 6213 1 20 . 1 1 60 60 ILE N N 60 119.503 119.503 117.035 2.468 17892 6214 1 20 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.698 -0.187 17892 6215 1 20 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.505 0.841 17892 6216 1 20 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.489 1.478 17892 6217 1 20 . 1 1 60 60 ILE H H 60 8.104 8.104 7.081 1.023 17892 6218 1 20 . 1 1 61 61 PHE N N 61 116.398 116.398 118.246 -1.848 17892 6219 1 20 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.502 -0.042 17892 6220 1 20 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.761 0.247 17892 6221 1 20 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.118 2.713 17892 6222 1 20 . 1 1 61 61 PHE H H 61 8.463 8.463 8.734 -0.271 17892 6223 1 20 . 1 1 62 62 GLN N N 62 117.212 117.212 121.958 -4.746 17892 6224 1 20 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.772 0.229 17892 6225 1 20 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.767 0.812 17892 6226 1 20 . 1 1 62 62 GLN CB C 62 32.378 32.378 29.195 3.183 17892 6227 1 20 . 1 1 62 62 GLN H H 62 8.572 8.572 9.478 -0.906 17892 6228 1 20 . 1 1 63 63 TRP N N 63 125.622 125.622 130.401 -4.779 17892 6229 1 20 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.907 0.269 17892 6230 1 20 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.263 -0.111 17892 6231 1 20 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.456 0.798 17892 6232 1 20 . 1 1 63 63 TRP H H 63 9.278 9.278 9.001 0.277 17892 6233 1 20 . 1 1 64 64 GLN N N 64 126.649 126.649 127.264 -0.615 17892 6234 1 20 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.433 -0.227 17892 6235 1 20 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.260 -0.373 17892 6236 1 20 . 1 1 64 64 GLN CB C 64 31.164 31.164 30.572 0.592 17892 6237 1 20 . 1 1 64 64 GLN H H 64 7.841 7.841 8.902 -1.061 17892 6238 1 20 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.964 0.642 17892 6239 1 20 . 1 1 65 65 PRO CA C 65 62.102 62.102 62.860 -0.758 17892 6240 1 20 . 1 1 65 65 PRO CB C 65 32.050 32.050 30.268 1.782 17892 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 61 3.653 0.155 3.680 17892 2 1 1 "Average Difference" HA 65 0.274 -0.069 0.267 17892 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 17892 4 1 1 "Average Difference" CA 64 0.994 -0.295 0.957 17892 5 1 1 "Average Difference" CB 63 1.274 -0.491 1.185 17892 6 1 1 "Average Difference" HN 61 0.477 -0.003 0.481 17892 7 1 2 "Average Difference" N 61 3.622 0.239 3.644 17892 8 1 2 "Average Difference" HA 65 0.285 -0.082 0.275 17892 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 17892 10 1 2 "Average Difference" CA 64 1.008 -0.203 0.995 17892 11 1 2 "Average Difference" CB 63 1.237 -0.506 1.137 17892 12 1 2 "Average Difference" HN 61 0.464 0.061 0.463 17892 13 1 3 "Average Difference" N 61 3.428 0.023 3.457 17892 14 1 3 "Average Difference" HA 65 0.279 -0.076 0.271 17892 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 17892 16 1 3 "Average Difference" CA 64 0.959 -0.141 0.956 17892 17 1 3 "Average Difference" CB 63 1.131 -0.433 1.054 17892 18 1 3 "Average Difference" HN 61 0.453 0.027 0.456 17892 19 1 4 "Average Difference" N 61 3.444 0.185 3.468 17892 20 1 4 "Average Difference" HA 65 0.273 -0.066 0.267 17892 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 17892 22 1 4 "Average Difference" CA 64 1.017 -0.288 0.983 17892 23 1 4 "Average Difference" CB 63 1.245 -0.461 1.166 17892 24 1 4 "Average Difference" HN 61 0.489 0.071 0.488 17892 25 1 5 "Average Difference" N 61 3.486 0.126 3.513 17892 26 1 5 "Average Difference" HA 65 0.298 -0.082 0.289 17892 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 17892 28 1 5 "Average Difference" CA 64 1.073 -0.297 1.039 17892 29 1 5 "Average Difference" CB 63 1.183 -0.465 1.097 17892 30 1 5 "Average Difference" HN 61 0.474 0.046 0.476 17892 31 1 6 "Average Difference" N 61 3.488 0.177 3.513 17892 32 1 6 "Average Difference" HA 65 0.288 -0.067 0.282 17892 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 17892 34 1 6 "Average Difference" CA 64 0.974 -0.262 0.945 17892 35 1 6 "Average Difference" CB 63 1.240 -0.436 1.170 17892 36 1 6 "Average Difference" HN 61 0.472 0.050 0.474 17892 37 1 7 "Average Difference" N 61 3.697 0.123 3.725 17892 38 1 7 "Average Difference" HA 65 0.279 -0.074 0.271 17892 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 17892 40 1 7 "Average Difference" CA 64 0.988 -0.203 0.974 17892 41 1 7 "Average Difference" CB 63 1.179 -0.452 1.098 17892 42 1 7 "Average Difference" HN 61 0.430 0.030 0.432 17892 43 1 8 "Average Difference" N 61 3.464 0.203 3.487 17892 44 1 8 "Average Difference" HA 65 0.271 -0.073 0.263 17892 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 17892 46 1 8 "Average Difference" CA 64 1.068 -0.215 1.054 17892 47 1 8 "Average Difference" CB 63 1.207 -0.499 1.108 17892 48 1 8 "Average Difference" HN 61 0.437 0.043 0.438 17892 49 1 9 "Average Difference" N 61 3.568 -0.030 3.598 17892 50 1 9 "Average Difference" HA 65 0.298 -0.080 0.289 17892 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 17892 52 1 9 "Average Difference" CA 64 0.977 -0.245 0.954 17892 53 1 9 "Average Difference" CB 63 1.272 -0.489 1.184 17892 54 1 9 "Average Difference" HN 61 0.464 -0.020 0.467 17892 55 1 10 "Average Difference" N 61 3.590 0.047 3.620 17892 56 1 10 "Average Difference" HA 65 0.269 -0.072 0.261 17892 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 17892 58 1 10 "Average Difference" CA 64 0.975 -0.257 0.948 17892 59 1 10 "Average Difference" CB 63 1.271 -0.524 1.167 17892 60 1 10 "Average Difference" HN 61 0.411 0.005 0.414 17892 61 1 11 "Average Difference" N 61 3.520 0.115 3.548 17892 62 1 11 "Average Difference" HA 65 0.300 -0.067 0.295 17892 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 17892 64 1 11 "Average Difference" CA 64 0.989 -0.234 0.968 17892 65 1 11 "Average Difference" CB 63 1.195 -0.398 1.135 17892 66 1 11 "Average Difference" HN 61 0.441 0.070 0.439 17892 67 1 12 "Average Difference" N 61 3.582 0.178 3.608 17892 68 1 12 "Average Difference" HA 65 0.296 -0.080 0.287 17892 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 17892 70 1 12 "Average Difference" CA 64 0.989 -0.219 0.972 17892 71 1 12 "Average Difference" CB 63 1.260 -0.482 1.174 17892 72 1 12 "Average Difference" HN 61 0.486 0.042 0.488 17892 73 1 13 "Average Difference" N 61 3.474 0.203 3.497 17892 74 1 13 "Average Difference" HA 65 0.282 -0.081 0.273 17892 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 17892 76 1 13 "Average Difference" CA 64 0.936 -0.274 0.903 17892 77 1 13 "Average Difference" CB 63 1.257 -0.459 1.180 17892 78 1 13 "Average Difference" HN 61 0.506 0.023 0.509 17892 79 1 14 "Average Difference" N 61 3.481 0.264 3.500 17892 80 1 14 "Average Difference" HA 65 0.312 -0.084 0.302 17892 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 17892 82 1 14 "Average Difference" CA 64 0.957 -0.209 0.941 17892 83 1 14 "Average Difference" CB 63 1.190 -0.409 1.126 17892 84 1 14 "Average Difference" HN 61 0.490 0.095 0.485 17892 85 1 15 "Average Difference" N 61 3.479 0.208 3.501 17892 86 1 15 "Average Difference" HA 65 0.273 -0.067 0.267 17892 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 17892 88 1 15 "Average Difference" CA 64 1.079 -0.232 1.062 17892 89 1 15 "Average Difference" CB 63 1.319 -0.563 1.202 17892 90 1 15 "Average Difference" HN 61 0.509 0.088 0.506 17892 91 1 16 "Average Difference" N 61 3.509 0.285 3.526 17892 92 1 16 "Average Difference" HA 65 0.293 -0.084 0.283 17892 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 17892 94 1 16 "Average Difference" CA 64 0.969 -0.161 0.963 17892 95 1 16 "Average Difference" CB 63 1.311 -0.505 1.219 17892 96 1 16 "Average Difference" HN 61 0.470 0.094 0.464 17892 97 1 17 "Average Difference" N 61 3.552 0.185 3.576 17892 98 1 17 "Average Difference" HA 65 0.285 -0.058 0.281 17892 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 17892 100 1 17 "Average Difference" CA 64 0.982 -0.261 0.954 17892 101 1 17 "Average Difference" CB 63 1.199 -0.444 1.123 17892 102 1 17 "Average Difference" HN 61 0.403 0.023 0.406 17892 103 1 18 "Average Difference" N 61 3.594 0.336 3.608 17892 104 1 18 "Average Difference" HA 65 0.279 -0.062 0.275 17892 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 17892 106 1 18 "Average Difference" CA 64 0.968 -0.272 0.936 17892 107 1 18 "Average Difference" CB 63 1.146 -0.449 1.062 17892 108 1 18 "Average Difference" HN 61 0.506 0.011 0.511 17892 109 1 19 "Average Difference" N 61 3.512 0.101 3.539 17892 110 1 19 "Average Difference" HA 65 0.278 -0.076 0.269 17892 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 17892 112 1 19 "Average Difference" CA 64 1.028 -0.215 1.014 17892 113 1 19 "Average Difference" CB 63 1.140 -0.377 1.084 17892 114 1 19 "Average Difference" HN 61 0.430 0.018 0.433 17892 115 1 20 "Average Difference" N 61 3.670 0.297 3.689 17892 116 1 20 "Average Difference" HA 65 0.267 -0.060 0.262 17892 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 17892 118 1 20 "Average Difference" CA 64 0.938 -0.169 0.930 17892 119 1 20 "Average Difference" CB 63 1.261 -0.493 1.170 17892 120 1 20 "Average Difference" HN 61 0.478 0.112 0.468 17892 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 17892 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ILE N N 2 123.730 123.730 121.174 2.556 17892 2 1 . 1 1 2 2 ILE HA H 2 4.987 4.987 4.909 0.078 17892 3 1 . 1 1 2 2 ILE CA C 2 60.330 60.330 60.285 0.046 17892 4 1 . 1 1 2 2 ILE CB C 2 39.577 39.577 39.522 0.055 17892 5 1 . 1 1 2 2 ILE H H 2 8.813 8.813 8.039 0.774 17892 6 1 . 1 1 3 3 ILE N N 3 129.451 129.451 128.694 0.757 17892 7 1 . 1 1 3 3 ILE HA H 3 4.314 4.314 4.174 0.140 17892 8 1 . 1 1 3 3 ILE CA C 3 60.712 60.712 60.415 0.297 17892 9 1 . 1 1 3 3 ILE CB C 3 38.857 38.857 38.883 -0.026 17892 10 1 . 1 1 3 3 ILE H H 3 9.355 9.355 9.226 0.129 17892 11 1 . 1 1 4 4 ASN N N 4 124.242 124.242 126.300 -2.058 17892 12 1 . 1 1 4 4 ASN HA H 4 5.450 5.450 5.042 0.408 17892 13 1 . 1 1 4 4 ASN CA C 4 51.740 51.740 52.159 -0.419 17892 14 1 . 1 1 4 4 ASN CB C 4 41.558 41.558 39.314 2.244 17892 15 1 . 1 1 4 4 ASN H H 4 8.823 8.823 8.826 -0.003 17892 16 1 . 1 1 5 5 ASN N N 5 121.916 121.916 123.930 -2.014 17892 17 1 . 1 1 5 5 ASN HA H 5 5.380 5.380 4.819 0.561 17892 18 1 . 1 1 5 5 ASN CA C 5 52.021 52.021 52.941 -0.920 17892 19 1 . 1 1 5 5 ASN CB C 5 40.137 40.137 39.051 1.086 17892 20 1 . 1 1 5 5 ASN H H 5 9.356 9.356 9.095 0.261 17892 21 1 . 1 1 6 6 LEU N N 6 120.873 120.873 123.048 -2.175 17892 22 1 . 1 1 6 6 LEU HA H 6 3.742 3.742 3.812 -0.070 17892 23 1 . 1 1 6 6 LEU CA C 6 60.105 60.105 59.254 0.851 17892 24 1 . 1 1 6 6 LEU CB C 6 41.355 41.355 41.554 -0.199 17892 25 1 . 1 1 6 6 LEU H H 6 8.419 8.419 9.143 -0.724 17892 26 1 . 1 1 7 7 LYS N N 7 118.232 118.232 117.951 0.281 17892 27 1 . 1 1 7 7 LYS HA H 7 3.885 3.885 4.064 -0.179 17892 28 1 . 1 1 7 7 LYS CA C 7 60.857 60.857 59.176 1.681 17892 29 1 . 1 1 7 7 LYS CB C 7 32.853 32.853 31.083 1.770 17892 30 1 . 1 1 7 7 LYS H H 7 8.820 8.820 8.370 0.450 17892 31 1 . 1 1 8 8 LEU N N 8 116.679 116.679 120.769 -4.090 17892 32 1 . 1 1 8 8 LEU HA H 8 4.114 4.114 4.078 0.036 17892 33 1 . 1 1 8 8 LEU CA C 8 58.218 58.218 57.326 0.892 17892 34 1 . 1 1 8 8 LEU CB C 8 42.578 42.578 41.883 0.695 17892 35 1 . 1 1 8 8 LEU H H 8 7.443 7.443 7.586 -0.143 17892 36 1 . 1 1 9 9 ILE N N 9 119.043 119.043 119.233 -0.190 17892 37 1 . 1 1 9 9 ILE HA H 9 3.779 3.779 3.556 0.223 17892 38 1 . 1 1 9 9 ILE CA C 9 63.406 63.406 65.440 -2.034 17892 39 1 . 1 1 9 9 ILE CB C 9 36.925 36.925 37.606 -0.681 17892 40 1 . 1 1 9 9 ILE H H 9 8.133 8.133 8.657 -0.524 17892 41 1 . 1 1 10 10 ARG N N 10 120.200 120.200 120.553 -0.353 17892 42 1 . 1 1 10 10 ARG HA H 10 3.842 3.842 3.845 -0.003 17892 43 1 . 1 1 10 10 ARG CA C 10 61.277 61.277 60.110 1.167 17892 44 1 . 1 1 10 10 ARG CB C 10 29.034 29.034 30.088 -1.054 17892 45 1 . 1 1 10 10 ARG H H 10 9.128 9.128 8.910 0.218 17892 46 1 . 1 1 11 11 GLU N N 11 116.457 116.457 118.043 -1.586 17892 47 1 . 1 1 11 11 GLU HA H 11 4.114 4.114 4.072 0.042 17892 48 1 . 1 1 11 11 GLU CA C 11 59.936 59.936 58.956 0.980 17892 49 1 . 1 1 11 11 GLU CB C 11 29.464 29.464 29.045 0.419 17892 50 1 . 1 1 11 11 GLU H H 11 8.555 8.555 8.064 0.491 17892 51 1 . 1 1 12 12 LYS N N 12 122.500 122.500 119.586 2.914 17892 52 1 . 1 1 12 12 LYS HA H 12 4.163 4.163 4.053 0.110 17892 53 1 . 1 1 12 12 LYS CA C 12 59.966 59.966 59.023 0.943 17892 54 1 . 1 1 12 12 LYS CB C 12 32.548 32.548 32.425 0.123 17892 55 1 . 1 1 12 12 LYS H H 12 8.169 8.169 7.628 0.541 17892 56 1 . 1 1 13 13 LYS N N 13 116.690 116.690 116.851 -0.162 17892 57 1 . 1 1 13 13 LYS HA H 13 4.265 4.265 4.225 0.040 17892 58 1 . 1 1 13 13 LYS CA C 13 55.620 55.620 56.250 -0.630 17892 59 1 . 1 1 13 13 LYS CB C 13 32.099 32.099 32.370 -0.271 17892 60 1 . 1 1 13 13 LYS H H 13 7.748 7.748 8.066 -0.318 17892 61 1 . 1 1 14 14 LYS N N 14 115.251 115.251 114.208 1.043 17892 62 1 . 1 1 14 14 LYS HA H 14 3.914 3.914 3.898 0.016 17892 63 1 . 1 1 14 14 LYS CA C 14 57.467 57.467 57.141 0.326 17892 64 1 . 1 1 14 14 LYS CB C 14 28.915 28.915 30.156 -1.241 17892 65 1 . 1 1 14 14 LYS H H 14 7.978 7.978 8.147 -0.169 17892 66 1 . 1 1 15 15 ILE N N 15 118.640 118.640 120.106 -1.466 17892 67 1 . 1 1 15 15 ILE HA H 15 4.567 4.567 4.289 0.278 17892 68 1 . 1 1 15 15 ILE CA C 15 59.621 59.621 59.557 0.064 17892 69 1 . 1 1 15 15 ILE CB C 15 41.173 41.173 40.077 1.096 17892 70 1 . 1 1 15 15 ILE H H 15 7.508 7.508 7.622 -0.114 17892 71 1 . 1 1 16 16 SER N N 16 124.827 124.827 122.500 2.327 17892 72 1 . 1 1 16 16 SER HA H 16 4.559 4.559 4.590 -0.031 17892 73 1 . 1 1 16 16 SER CA C 16 57.422 57.422 58.291 -0.869 17892 74 1 . 1 1 16 16 SER CB C 16 65.249 65.249 64.367 0.882 17892 75 1 . 1 1 16 16 SER H H 16 9.220 9.220 9.451 -0.231 17892 76 1 . 1 1 17 17 GLN N N 17 120.457 120.457 124.255 -3.798 17892 77 1 . 1 1 17 17 GLN HA H 17 3.751 3.751 3.961 -0.210 17892 78 1 . 1 1 17 17 GLN CA C 17 61.277 61.277 59.689 1.588 17892 79 1 . 1 1 17 17 GLN CB C 17 29.601 29.601 28.237 1.364 17892 80 1 . 1 1 17 17 GLN H H 17 9.364 9.364 8.978 0.386 17892 81 1 . 1 1 18 18 SER N N 18 112.796 112.796 115.820 -3.024 17892 82 1 . 1 1 18 18 SER HA H 18 4.739 4.739 4.057 0.682 17892 83 1 . 1 1 18 18 SER CA C 18 63.145 63.145 61.803 1.342 17892 84 1 . 1 1 18 18 SER CB C 18 65.724 65.724 62.485 3.239 17892 85 1 . 1 1 18 18 SER H H 18 8.680 8.680 8.580 0.100 17892 86 1 . 1 1 19 19 GLU N N 19 124.363 124.363 121.962 2.401 17892 87 1 . 1 1 19 19 GLU HA H 19 4.070 4.070 4.104 -0.034 17892 88 1 . 1 1 19 19 GLU CA C 19 59.310 59.310 58.601 0.709 17892 89 1 . 1 1 19 19 GLU CB C 19 30.191 30.191 29.154 1.037 17892 90 1 . 1 1 19 19 GLU H H 19 8.145 8.145 7.933 0.212 17892 91 1 . 1 1 20 20 LEU N N 20 119.741 119.741 122.032 -2.292 17892 92 1 . 1 1 20 20 LEU HA H 20 4.100 4.100 3.932 0.168 17892 93 1 . 1 1 20 20 LEU CA C 20 58.107 58.107 57.788 0.319 17892 94 1 . 1 1 20 20 LEU CB C 20 41.555 41.555 41.475 0.080 17892 95 1 . 1 1 20 20 LEU H H 20 8.161 8.161 8.263 -0.102 17892 96 1 . 1 1 21 21 ALA N N 21 119.970 119.970 121.519 -1.549 17892 97 1 . 1 1 21 21 ALA HA H 21 3.689 3.689 3.925 -0.236 17892 98 1 . 1 1 21 21 ALA CA C 21 55.820 55.820 55.204 0.616 17892 99 1 . 1 1 21 21 ALA CB C 21 17.398 17.398 17.958 -0.560 17892 100 1 . 1 1 21 21 ALA H H 21 8.436 8.436 8.774 -0.338 17892 101 1 . 1 1 22 22 ALA N N 22 117.873 117.873 121.617 -3.744 17892 102 1 . 1 1 22 22 ALA HA H 22 4.204 4.204 4.003 0.201 17892 103 1 . 1 1 22 22 ALA CA C 22 55.061 55.061 54.676 0.385 17892 104 1 . 1 1 22 22 ALA CB C 22 18.235 18.235 18.475 -0.240 17892 105 1 . 1 1 22 22 ALA H H 22 7.709 7.709 7.783 -0.074 17892 106 1 . 1 1 23 23 LEU N N 23 118.771 118.771 118.434 0.337 17892 107 1 . 1 1 23 23 LEU HA H 23 3.915 3.915 3.546 0.369 17892 108 1 . 1 1 23 23 LEU CA C 23 57.650 57.650 57.079 0.571 17892 109 1 . 1 1 23 23 LEU CB C 23 41.934 41.934 41.114 0.820 17892 110 1 . 1 1 23 23 LEU H H 23 7.543 7.543 7.992 -0.449 17892 111 1 . 1 1 24 24 LEU N N 24 114.703 114.703 116.961 -2.258 17892 112 1 . 1 1 24 24 LEU HA H 24 4.262 4.262 4.227 0.035 17892 113 1 . 1 1 24 24 LEU CA C 24 55.851 55.851 56.460 -0.609 17892 114 1 . 1 1 24 24 LEU CB C 24 43.983 43.983 42.029 1.954 17892 115 1 . 1 1 24 24 LEU H H 24 7.430 7.430 8.268 -0.838 17892 116 1 . 1 1 25 25 GLU N N 25 115.450 115.450 114.438 1.012 17892 117 1 . 1 1 25 25 GLU HA H 25 3.906 3.906 4.013 -0.107 17892 118 1 . 1 1 25 25 GLU CA C 25 57.786 57.786 57.185 0.601 17892 119 1 . 1 1 25 25 GLU CB C 25 27.543 27.543 27.559 -0.016 17892 120 1 . 1 1 25 25 GLU H H 25 7.987 7.987 8.110 -0.123 17892 121 1 . 1 1 26 26 VAL N N 26 110.029 110.029 112.459 -2.430 17892 122 1 . 1 1 26 26 VAL HA H 26 4.840 4.840 4.651 0.189 17892 123 1 . 1 1 26 26 VAL CA C 26 58.831 58.831 59.360 -0.529 17892 124 1 . 1 1 26 26 VAL CB C 26 35.589 35.589 35.294 0.295 17892 125 1 . 1 1 26 26 VAL H H 26 7.908 7.908 8.052 -0.144 17892 126 1 . 1 1 27 27 SER N N 27 114.372 114.372 115.626 -1.254 17892 127 1 . 1 1 27 27 SER HA H 27 4.761 4.761 4.584 0.177 17892 128 1 . 1 1 27 27 SER CA C 27 56.661 56.661 57.644 -0.983 17892 129 1 . 1 1 27 27 SER CB C 27 62.712 62.712 64.478 -1.766 17892 130 1 . 1 1 27 27 SER H H 27 8.401 8.401 8.259 0.142 17892 131 1 . 1 1 28 28 ARG N N 28 115.199 115.199 122.960 -7.761 17892 132 1 . 1 1 28 28 ARG HA H 28 3.730 3.730 3.987 -0.257 17892 133 1 . 1 1 28 28 ARG CA C 28 60.378 60.378 60.299 0.079 17892 134 1 . 1 1 28 28 ARG CB C 28 29.600 29.600 30.045 -0.445 17892 135 1 . 1 1 28 28 ARG H H 28 8.150 8.150 8.956 -0.806 17892 136 1 . 1 1 29 29 GLN N N 29 117.559 117.559 117.236 0.323 17892 137 1 . 1 1 29 29 GLN HA H 29 4.112 4.112 4.108 0.004 17892 138 1 . 1 1 29 29 GLN CA C 29 59.635 59.635 59.437 0.198 17892 139 1 . 1 1 29 29 GLN CB C 29 28.118 28.118 28.049 0.069 17892 140 1 . 1 1 29 29 GLN H H 29 8.674 8.674 8.782 -0.108 17892 141 1 . 1 1 30 30 THR N N 30 119.900 119.900 117.161 2.739 17892 142 1 . 1 1 30 30 THR HA H 30 4.373 4.373 4.288 0.085 17892 143 1 . 1 1 30 30 THR CA C 30 68.235 68.235 66.309 1.926 17892 144 1 . 1 1 30 30 THR CB C 30 66.938 66.938 68.620 -1.682 17892 145 1 . 1 1 30 30 THR H H 30 7.995 7.995 7.842 0.153 17892 146 1 . 1 1 31 31 ILE N N 31 119.083 119.083 122.877 -3.794 17892 147 1 . 1 1 31 31 ILE HA H 31 3.744 3.744 3.762 -0.018 17892 148 1 . 1 1 31 31 ILE CA C 31 62.316 62.316 63.843 -1.527 17892 149 1 . 1 1 31 31 ILE CB C 31 35.627 35.627 36.566 -0.939 17892 150 1 . 1 1 31 31 ILE H H 31 7.118 7.118 7.869 -0.751 17892 151 1 . 1 1 32 32 ASN N N 32 118.406 118.406 119.281 -0.875 17892 152 1 . 1 1 32 32 ASN HA H 32 4.326 4.326 4.445 -0.119 17892 153 1 . 1 1 32 32 ASN CA C 32 57.617 57.617 57.143 0.474 17892 154 1 . 1 1 32 32 ASN CB C 32 39.496 39.496 38.306 1.190 17892 155 1 . 1 1 32 32 ASN H H 32 8.533 8.533 9.027 -0.494 17892 156 1 . 1 1 33 33 GLY N N 33 125.014 125.014 109.088 15.926 17892 157 1 . 1 1 33 33 GLY CA C 33 47.690 47.690 47.063 0.626 17892 158 1 . 1 1 33 33 GLY H H 33 8.477 8.477 8.655 -0.178 17892 159 1 . 1 1 34 34 ILE N N 34 122.677 122.677 123.149 -0.472 17892 160 1 . 1 1 34 34 ILE HA H 34 4.257 4.257 3.801 0.456 17892 161 1 . 1 1 34 34 ILE CA C 34 65.252 65.252 64.430 0.823 17892 162 1 . 1 1 34 34 ILE CB C 34 38.836 38.836 37.956 0.880 17892 163 1 . 1 1 34 34 ILE H H 34 8.178 8.178 7.750 0.428 17892 164 1 . 1 1 35 35 GLU N N 35 120.928 120.928 120.144 0.784 17892 165 1 . 1 1 35 35 GLU HA H 35 4.163 4.163 3.986 0.177 17892 166 1 . 1 1 35 35 GLU CA C 35 60.330 60.330 59.637 0.693 17892 167 1 . 1 1 35 35 GLU CB C 35 29.402 29.402 29.576 -0.174 17892 168 1 . 1 1 35 35 GLU H H 35 8.537 8.537 8.694 -0.157 17892 169 1 . 1 1 36 36 LYS N N 36 116.174 116.174 116.737 -0.563 17892 170 1 . 1 1 36 36 LYS HA H 36 4.470 4.470 4.215 0.255 17892 171 1 . 1 1 36 36 LYS CA C 36 56.029 56.029 55.656 0.373 17892 172 1 . 1 1 36 36 LYS CB C 36 32.489 32.489 31.883 0.607 17892 173 1 . 1 1 36 36 LYS H H 36 7.978 7.978 8.310 -0.332 17892 174 1 . 1 1 37 37 ASN N N 37 114.939 114.939 114.662 0.277 17892 175 1 . 1 1 37 37 ASN HA H 37 4.668 4.668 4.380 0.288 17892 176 1 . 1 1 37 37 ASN CA C 37 55.052 55.052 54.477 0.575 17892 177 1 . 1 1 37 37 ASN CB C 37 37.529 37.529 36.618 0.911 17892 178 1 . 1 1 37 37 ASN H H 37 8.150 8.150 7.993 0.157 17892 179 1 . 1 1 38 38 LYS N N 38 115.469 115.469 117.681 -2.212 17892 180 1 . 1 1 38 38 LYS HA H 38 4.385 4.385 4.071 0.314 17892 181 1 . 1 1 38 38 LYS CA C 38 56.760 56.760 58.673 -1.913 17892 182 1 . 1 1 38 38 LYS CB C 38 33.593 33.593 33.237 0.356 17892 183 1 . 1 1 38 38 LYS H H 38 8.586 8.586 8.283 0.303 17892 184 1 . 1 1 39 39 TYR N N 39 117.011 117.011 112.745 4.266 17892 185 1 . 1 1 39 39 TYR HA H 39 4.619 4.619 4.750 -0.131 17892 186 1 . 1 1 39 39 TYR CA C 39 56.000 56.000 55.578 0.422 17892 187 1 . 1 1 39 39 TYR CB C 39 40.453 40.453 39.296 1.157 17892 188 1 . 1 1 39 39 TYR H H 39 7.028 7.028 7.023 0.005 17892 189 1 . 1 1 40 40 ASN N N 40 123.592 123.592 119.831 3.761 17892 190 1 . 1 1 40 40 ASN HA H 40 5.181 5.181 4.955 0.226 17892 191 1 . 1 1 40 40 ASN CA C 40 50.235 50.235 50.701 -0.467 17892 192 1 . 1 1 40 40 ASN CB C 40 39.026 39.026 39.279 -0.253 17892 193 1 . 1 1 40 40 ASN H H 40 8.618 8.618 8.565 0.052 17892 194 1 . 1 1 41 41 PRO HA H 41 3.764 3.764 4.513 -0.749 17892 195 1 . 1 1 41 41 PRO CA C 41 63.048 63.048 62.523 0.525 17892 196 1 . 1 1 41 41 PRO CB C 41 32.133 32.133 32.221 -0.088 17892 197 1 . 1 1 42 42 SER N N 42 125.240 125.240 115.170 10.070 17892 198 1 . 1 1 42 42 SER HA H 42 4.530 4.530 4.281 0.249 17892 199 1 . 1 1 42 42 SER CA C 42 58.052 58.052 57.975 0.077 17892 200 1 . 1 1 42 42 SER CB C 42 64.643 64.643 63.864 0.779 17892 201 1 . 1 1 42 42 SER H H 42 7.798 7.798 8.165 -0.367 17892 202 1 . 1 1 43 43 LEU N N 43 121.149 121.149 124.387 -3.238 17892 203 1 . 1 1 43 43 LEU HA H 43 3.865 3.865 4.024 -0.159 17892 204 1 . 1 1 43 43 LEU CA C 43 58.851 58.851 58.507 0.344 17892 205 1 . 1 1 43 43 LEU CB C 43 41.406 41.406 41.569 -0.163 17892 206 1 . 1 1 43 43 LEU H H 43 9.134 9.134 8.701 0.433 17892 207 1 . 1 1 44 44 GLN N N 44 115.817 115.817 118.696 -2.879 17892 208 1 . 1 1 44 44 GLN HA H 44 3.692 3.692 4.090 -0.398 17892 209 1 . 1 1 44 44 GLN CA C 44 60.645 60.645 59.384 1.261 17892 210 1 . 1 1 44 44 GLN CB C 44 28.800 28.800 28.290 0.510 17892 211 1 . 1 1 44 44 GLN H H 44 8.743 8.743 8.633 0.110 17892 212 1 . 1 1 45 45 LEU N N 45 119.397 119.397 119.349 0.048 17892 213 1 . 1 1 45 45 LEU HA H 45 3.888 3.888 4.004 -0.116 17892 214 1 . 1 1 45 45 LEU CA C 45 55.056 55.056 57.637 -2.581 17892 215 1 . 1 1 45 45 LEU CB C 45 41.177 41.177 41.368 -0.191 17892 216 1 . 1 1 45 45 LEU H H 45 7.895 7.895 7.977 -0.082 17892 217 1 . 1 1 46 46 ALA N N 46 120.694 120.694 122.449 -1.755 17892 218 1 . 1 1 46 46 ALA HA H 46 3.992 3.992 3.974 0.017 17892 219 1 . 1 1 46 46 ALA CA C 46 56.078 56.078 55.301 0.777 17892 220 1 . 1 1 46 46 ALA CB C 46 19.953 19.953 18.071 1.882 17892 221 1 . 1 1 46 46 ALA H H 46 8.437 8.437 8.574 -0.137 17892 222 1 . 1 1 47 47 LEU N N 47 116.298 116.298 118.856 -2.558 17892 223 1 . 1 1 47 47 LEU HA H 47 4.155 4.155 3.894 0.261 17892 224 1 . 1 1 47 47 LEU CA C 47 58.051 58.051 58.113 -0.063 17892 225 1 . 1 1 47 47 LEU CB C 47 42.583 42.583 41.609 0.974 17892 226 1 . 1 1 47 47 LEU H H 47 8.552 8.552 8.734 -0.182 17892 227 1 . 1 1 48 48 LYS N N 48 120.836 120.836 120.149 0.687 17892 228 1 . 1 1 48 48 LYS HA H 48 3.523 3.523 3.993 -0.470 17892 229 1 . 1 1 48 48 LYS CA C 48 60.462 60.462 60.183 0.279 17892 230 1 . 1 1 48 48 LYS CB C 48 33.135 33.135 32.498 0.637 17892 231 1 . 1 1 48 48 LYS H H 48 7.863 7.863 8.482 -0.619 17892 232 1 . 1 1 49 49 ILE N N 49 120.259 120.259 120.302 -0.043 17892 233 1 . 1 1 49 49 ILE HA H 49 3.564 3.564 3.851 -0.287 17892 234 1 . 1 1 49 49 ILE CA C 49 67.534 67.534 65.559 1.975 17892 235 1 . 1 1 49 49 ILE CB C 49 38.203 38.203 37.906 0.297 17892 236 1 . 1 1 49 49 ILE H H 49 8.621 8.621 8.448 0.173 17892 237 1 . 1 1 50 50 ALA N N 50 120.672 120.672 123.748 -3.076 17892 238 1 . 1 1 50 50 ALA HA H 50 4.019 4.019 4.206 -0.187 17892 239 1 . 1 1 50 50 ALA CA C 50 56.007 56.007 55.139 0.868 17892 240 1 . 1 1 50 50 ALA CB C 50 18.555 18.555 18.389 0.166 17892 241 1 . 1 1 50 50 ALA H H 50 8.033 8.033 8.466 -0.433 17892 242 1 . 1 1 51 51 TYR N N 51 117.393 117.393 120.386 -2.993 17892 243 1 . 1 1 51 51 TYR HA H 51 4.306 4.306 4.043 0.263 17892 244 1 . 1 1 51 51 TYR CA C 51 61.927 61.927 62.108 -0.181 17892 245 1 . 1 1 51 51 TYR CB C 51 38.773 38.773 38.520 0.253 17892 246 1 . 1 1 51 51 TYR H H 51 8.108 8.108 8.669 -0.561 17892 247 1 . 1 1 52 52 TYR N N 52 118.419 118.419 117.964 0.455 17892 248 1 . 1 1 52 52 TYR HA H 52 4.290 4.290 4.239 0.051 17892 249 1 . 1 1 52 52 TYR CA C 52 63.165 63.165 61.803 1.362 17892 250 1 . 1 1 52 52 TYR CB C 52 38.028 38.028 38.851 -0.823 17892 251 1 . 1 1 52 52 TYR H H 52 8.891 8.891 8.736 0.155 17892 252 1 . 1 1 53 53 LEU N N 53 115.657 115.657 116.615 -0.958 17892 253 1 . 1 1 53 53 LEU HA H 53 4.470 4.470 4.406 0.064 17892 254 1 . 1 1 53 53 LEU CA C 53 54.620 54.620 54.780 -0.159 17892 255 1 . 1 1 53 53 LEU CB C 53 40.646 40.646 41.909 -1.263 17892 256 1 . 1 1 53 53 LEU H H 53 8.182 8.182 8.612 -0.430 17892 257 1 . 1 1 54 54 ASN N N 54 122.127 122.127 116.470 5.657 17892 258 1 . 1 1 54 54 ASN HA H 54 4.408 4.408 4.315 0.093 17892 259 1 . 1 1 54 54 ASN CA C 54 54.168 54.168 54.217 -0.049 17892 260 1 . 1 1 54 54 ASN CB C 54 38.167 38.167 37.213 0.954 17892 261 1 . 1 1 54 54 ASN H H 54 8.048 8.048 7.844 0.204 17892 262 1 . 1 1 55 55 THR N N 55 115.087 115.087 115.367 -0.280 17892 263 1 . 1 1 55 55 THR HA H 55 4.902 4.902 4.760 0.142 17892 264 1 . 1 1 55 55 THR CA C 55 60.449 60.449 60.107 0.342 17892 265 1 . 1 1 55 55 THR CB C 55 75.269 75.269 70.552 4.717 17892 266 1 . 1 1 55 55 THR H H 55 8.134 8.134 8.019 0.115 17892 267 1 . 1 1 56 56 PRO HA H 56 4.589 4.589 4.486 0.103 17892 268 1 . 1 1 56 56 PRO CA C 56 63.145 63.145 62.863 0.282 17892 269 1 . 1 1 56 56 PRO CB C 56 32.481 32.481 32.423 0.058 17892 270 1 . 1 1 57 57 LEU N N 57 127.729 127.729 126.800 0.929 17892 271 1 . 1 1 57 57 LEU HA H 57 3.990 3.990 4.138 -0.148 17892 272 1 . 1 1 57 57 LEU CA C 57 60.498 60.498 58.844 1.655 17892 273 1 . 1 1 57 57 LEU CB C 57 42.043 42.043 42.180 -0.137 17892 274 1 . 1 1 57 57 LEU H H 57 9.788 9.788 8.605 1.183 17892 275 1 . 1 1 58 58 GLU N N 58 123.764 123.764 118.577 5.187 17892 276 1 . 1 1 58 58 GLU HA H 58 4.834 4.834 4.364 0.470 17892 277 1 . 1 1 58 58 GLU CA C 58 59.038 59.038 59.040 -0.002 17892 278 1 . 1 1 58 58 GLU CB C 58 29.608 29.608 28.997 0.611 17892 279 1 . 1 1 58 58 GLU H H 58 9.188 9.188 8.641 0.546 17892 280 1 . 1 1 59 59 ASP N N 59 117.867 117.867 117.693 0.174 17892 281 1 . 1 1 59 59 ASP HA H 59 4.601 4.601 4.445 0.156 17892 282 1 . 1 1 59 59 ASP CA C 59 56.173 56.173 56.233 -0.060 17892 283 1 . 1 1 59 59 ASP CB C 59 40.541 40.541 40.646 -0.105 17892 284 1 . 1 1 59 59 ASP H H 59 7.910 7.910 8.121 -0.211 17892 285 1 . 1 1 60 60 ILE N N 60 119.503 119.503 117.699 1.804 17892 286 1 . 1 1 60 60 ILE HA H 60 3.511 3.511 3.687 -0.176 17892 287 1 . 1 1 60 60 ILE CA C 60 64.347 64.347 63.909 0.438 17892 288 1 . 1 1 60 60 ILE CB C 60 39.966 39.966 38.729 1.237 17892 289 1 . 1 1 60 60 ILE H H 60 8.104 8.104 7.341 0.763 17892 290 1 . 1 1 61 61 PHE N N 61 116.398 116.398 117.625 -1.227 17892 291 1 . 1 1 61 61 PHE HA H 61 5.460 5.460 5.538 -0.078 17892 292 1 . 1 1 61 61 PHE CA C 61 56.008 56.008 55.589 0.419 17892 293 1 . 1 1 61 61 PHE CB C 61 42.831 42.831 40.288 2.543 17892 294 1 . 1 1 61 61 PHE H H 61 8.463 8.463 8.744 -0.281 17892 295 1 . 1 1 62 62 GLN N N 62 117.212 117.212 121.180 -3.968 17892 296 1 . 1 1 62 62 GLN HA H 62 5.001 5.001 4.830 0.171 17892 297 1 . 1 1 62 62 GLN CA C 62 54.579 54.579 53.775 0.804 17892 298 1 . 1 1 62 62 GLN CB C 62 32.378 32.378 31.246 1.132 17892 299 1 . 1 1 62 62 GLN H H 62 8.572 8.572 9.065 -0.493 17892 300 1 . 1 1 63 63 TRP N N 63 125.622 125.622 128.884 -3.262 17892 301 1 . 1 1 63 63 TRP HA H 63 5.176 5.176 4.964 0.212 17892 302 1 . 1 1 63 63 TRP CA C 63 57.152 57.152 57.356 -0.204 17892 303 1 . 1 1 63 63 TRP CB C 63 31.254 31.254 30.178 1.076 17892 304 1 . 1 1 63 63 TRP H H 63 9.278 9.278 8.936 0.342 17892 305 1 . 1 1 64 64 GLN N N 64 126.649 126.649 127.441 -0.792 17892 306 1 . 1 1 64 64 GLN HA H 64 4.206 4.206 4.473 -0.267 17892 307 1 . 1 1 64 64 GLN CA C 64 51.887 51.887 52.668 -0.781 17892 308 1 . 1 1 64 64 GLN CB C 64 31.164 31.164 29.906 1.258 17892 309 1 . 1 1 64 64 GLN H H 64 7.841 7.841 8.455 -0.614 17892 310 1 . 1 1 65 65 PRO HA H 65 4.606 4.606 3.711 0.895 17892 311 1 . 1 1 65 65 PRO CA C 65 62.102 62.102 63.209 -1.107 17892 312 1 . 1 1 65 65 PRO CB C 65 32.050 32.050 31.749 0.301 17892 stop_ save_