data_19231 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19231 _Entry.PDB_ID 2M87 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 19231 _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 GLN N N 2 121.990 121.990 122.415 -0.425 19231 2 1 1 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.360 -0.023 19231 3 1 1 . 1 1 2 2 GLN C C 2 176.320 176.320 176.391 -0.071 19231 4 1 1 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.165 0.130 19231 5 1 1 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.090 2.180 19231 6 1 1 . 1 1 2 2 GLN H H 2 8.705 8.705 8.501 0.204 19231 7 1 1 . 1 1 3 3 GLY N N 3 110.481 110.481 108.730 1.751 19231 8 1 1 . 1 1 3 3 GLY C C 3 174.116 174.116 173.463 0.653 19231 9 1 1 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.168 -0.053 19231 10 1 1 . 1 1 3 3 GLY H H 3 8.540 8.540 8.477 0.063 19231 11 1 1 . 1 1 4 4 ASP N N 4 120.750 120.750 118.786 1.964 19231 12 1 1 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.686 -0.045 19231 13 1 1 . 1 1 4 4 ASP C C 4 175.974 175.974 173.628 2.346 19231 14 1 1 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.985 0.471 19231 15 1 1 . 1 1 4 4 ASP CB C 4 41.190 41.190 42.794 -1.604 19231 16 1 1 . 1 1 4 4 ASP H H 4 8.251 8.251 7.864 0.387 19231 17 1 1 . 1 1 5 5 ASN N N 5 118.421 118.421 119.451 -1.030 19231 18 1 1 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.886 -0.125 19231 19 1 1 . 1 1 5 5 ASN C C 5 174.017 174.017 172.961 1.056 19231 20 1 1 . 1 1 5 5 ASN CA C 5 53.354 53.354 52.942 0.412 19231 21 1 1 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.726 -1.790 19231 22 1 1 . 1 1 5 5 ASN H H 5 8.513 8.513 8.257 0.256 19231 23 1 1 . 1 1 6 6 GLU N N 6 120.905 120.905 119.624 1.281 19231 24 1 1 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.832 0.640 19231 25 1 1 . 1 1 6 6 GLU C C 6 175.808 175.808 173.837 1.971 19231 26 1 1 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.732 -0.637 19231 27 1 1 . 1 1 6 6 GLU CB C 6 33.013 33.013 32.268 0.745 19231 28 1 1 . 1 1 6 6 GLU H H 6 8.116 8.116 8.203 -0.087 19231 29 1 1 . 1 1 7 7 ILE N N 7 122.567 122.567 115.064 7.503 19231 30 1 1 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.749 -0.215 19231 31 1 1 . 1 1 7 7 ILE C C 7 174.653 174.653 174.281 0.372 19231 32 1 1 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.995 0.118 19231 33 1 1 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.589 -0.247 19231 34 1 1 . 1 1 7 7 ILE H H 7 8.966 8.966 8.432 0.534 19231 35 1 1 . 1 1 8 8 SER N N 8 120.446 120.446 116.968 3.478 19231 36 1 1 . 1 1 8 8 SER HA H 8 5.536 5.536 5.324 0.212 19231 37 1 1 . 1 1 8 8 SER C C 8 174.082 174.082 173.432 0.650 19231 38 1 1 . 1 1 8 8 SER CA C 8 57.050 57.050 57.760 -0.710 19231 39 1 1 . 1 1 8 8 SER CB C 8 65.470 65.470 66.473 -1.003 19231 40 1 1 . 1 1 8 8 SER H H 8 8.773 8.773 8.313 0.460 19231 41 1 1 . 1 1 9 9 VAL N N 9 124.896 124.896 121.392 3.504 19231 42 1 1 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.299 -0.109 19231 43 1 1 . 1 1 9 9 VAL C C 9 176.141 176.141 175.755 0.386 19231 44 1 1 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.408 -0.110 19231 45 1 1 . 1 1 9 9 VAL CB C 9 33.763 33.763 33.012 0.751 19231 46 1 1 . 1 1 9 9 VAL H H 9 8.874 8.874 8.802 0.072 19231 47 1 1 . 1 1 10 10 GLY N N 10 117.992 117.992 117.708 0.284 19231 48 1 1 . 1 1 10 10 GLY C C 10 174.785 174.785 174.258 0.527 19231 49 1 1 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.664 0.666 19231 50 1 1 . 1 1 10 10 GLY H H 10 9.114 9.114 8.359 0.755 19231 51 1 1 . 1 1 11 11 ASN N N 11 124.908 124.908 122.365 2.543 19231 52 1 1 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.834 -0.146 19231 53 1 1 . 1 1 11 11 ASN C C 11 174.765 174.765 174.874 -0.109 19231 54 1 1 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.609 0.268 19231 55 1 1 . 1 1 11 11 ASN CB C 11 37.277 37.277 38.527 -1.250 19231 56 1 1 . 1 1 11 11 ASN H H 11 8.609 8.609 8.560 0.049 19231 57 1 1 . 1 1 12 12 LEU N N 12 123.550 123.550 121.424 2.126 19231 58 1 1 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.037 0.378 19231 59 1 1 . 1 1 12 12 LEU C C 12 175.653 175.653 176.058 -0.405 19231 60 1 1 . 1 1 12 12 LEU CA C 12 53.937 53.937 53.966 -0.029 19231 61 1 1 . 1 1 12 12 LEU CB C 12 44.438 44.438 43.236 1.202 19231 62 1 1 . 1 1 12 12 LEU H H 12 8.256 8.256 7.417 0.839 19231 63 1 1 . 1 1 13 13 ARG N N 13 124.719 124.719 122.135 2.584 19231 64 1 1 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.768 0.459 19231 65 1 1 . 1 1 13 13 ARG C C 13 173.394 173.394 174.593 -1.199 19231 66 1 1 . 1 1 13 13 ARG CA C 13 55.017 55.017 54.913 0.104 19231 67 1 1 . 1 1 13 13 ARG CB C 13 34.507 34.507 33.542 0.965 19231 68 1 1 . 1 1 13 13 ARG H H 13 9.169 9.169 8.382 0.787 19231 69 1 1 . 1 1 14 14 LEU N N 14 127.743 127.743 123.342 4.401 19231 70 1 1 . 1 1 14 14 LEU HA H 14 5.316 5.316 5.324 -0.008 19231 71 1 1 . 1 1 14 14 LEU C C 14 174.807 174.807 174.544 0.263 19231 72 1 1 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.805 0.011 19231 73 1 1 . 1 1 14 14 LEU CB C 14 45.806 45.806 46.834 -1.028 19231 74 1 1 . 1 1 14 14 LEU H H 14 9.394 9.394 9.246 0.148 19231 75 1 1 . 1 1 15 15 ASN N N 15 125.577 125.577 123.535 2.042 19231 76 1 1 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.305 0.102 19231 77 1 1 . 1 1 15 15 ASN C C 15 175.621 175.621 175.881 -0.260 19231 78 1 1 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.640 -0.596 19231 79 1 1 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.908 0.159 19231 80 1 1 . 1 1 15 15 ASN H H 15 9.520 9.520 8.962 0.558 19231 81 1 1 . 1 1 16 16 VAL N N 16 123.478 123.478 124.489 -1.011 19231 82 1 1 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.895 0.185 19231 83 1 1 . 1 1 16 16 VAL C C 16 177.902 177.902 176.636 1.266 19231 84 1 1 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.823 -1.409 19231 85 1 1 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.155 0.049 19231 86 1 1 . 1 1 16 16 VAL H H 16 8.759 8.759 8.232 0.527 19231 87 1 1 . 1 1 17 17 THR N N 17 117.004 117.004 113.333 3.671 19231 88 1 1 . 1 1 17 17 THR HA H 17 4.340 4.340 4.087 0.253 19231 89 1 1 . 1 1 17 17 THR C C 17 176.177 176.177 175.735 0.442 19231 90 1 1 . 1 1 17 17 THR CA C 17 65.922 65.922 64.775 1.147 19231 91 1 1 . 1 1 17 17 THR CB C 17 68.899 68.899 69.350 -0.451 19231 92 1 1 . 1 1 17 17 THR H H 17 8.045 8.045 7.461 0.584 19231 93 1 1 . 1 1 18 18 ARG N N 18 117.565 117.565 118.529 -0.964 19231 94 1 1 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.420 -0.222 19231 95 1 1 . 1 1 18 18 ARG C C 18 174.802 174.802 175.832 -1.030 19231 96 1 1 . 1 1 18 18 ARG CA C 18 55.605 55.605 56.073 -0.468 19231 97 1 1 . 1 1 18 18 ARG CB C 18 31.225 31.225 31.017 0.208 19231 98 1 1 . 1 1 18 18 ARG H H 18 8.035 8.035 8.204 -0.169 19231 99 1 1 . 1 1 19 19 ARG N N 19 117.471 117.471 118.349 -0.878 19231 100 1 1 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.289 0.625 19231 101 1 1 . 1 1 19 19 ARG C C 19 174.359 174.359 173.838 0.521 19231 102 1 1 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.617 -0.130 19231 103 1 1 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.080 -0.832 19231 104 1 1 . 1 1 19 19 ARG H H 19 7.877 7.877 8.145 -0.268 19231 105 1 1 . 1 1 20 20 LEU N N 20 118.701 118.701 117.263 1.438 19231 106 1 1 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.606 -0.076 19231 107 1 1 . 1 1 20 20 LEU C C 20 174.619 174.619 174.396 0.223 19231 108 1 1 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.337 -0.483 19231 109 1 1 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.246 1.001 19231 110 1 1 . 1 1 20 20 LEU H H 20 7.565 7.565 7.750 -0.185 19231 111 1 1 . 1 1 21 21 VAL N N 21 120.636 120.636 117.786 2.850 19231 112 1 1 . 1 1 21 21 VAL HA H 21 5.197 5.197 4.986 0.211 19231 113 1 1 . 1 1 21 21 VAL C C 21 174.036 174.036 174.885 -0.849 19231 114 1 1 . 1 1 21 21 VAL CA C 21 59.871 59.871 61.224 -1.353 19231 115 1 1 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.798 -0.350 19231 116 1 1 . 1 1 21 21 VAL H H 21 8.466 8.466 8.228 0.238 19231 117 1 1 . 1 1 22 22 TRP N N 22 126.709 126.709 125.524 1.185 19231 118 1 1 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.170 -0.040 19231 119 1 1 . 1 1 22 22 TRP C C 22 174.877 174.877 175.061 -0.184 19231 120 1 1 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.047 1.020 19231 121 1 1 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.263 -0.126 19231 122 1 1 . 1 1 22 22 TRP H H 22 9.596 9.596 9.279 0.317 19231 123 1 1 . 1 1 23 23 LEU N N 23 123.443 123.443 120.645 2.798 19231 124 1 1 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.707 0.327 19231 125 1 1 . 1 1 23 23 LEU C C 23 177.552 177.552 176.946 0.606 19231 126 1 1 . 1 1 23 23 LEU CA C 23 53.427 53.427 54.701 -1.274 19231 127 1 1 . 1 1 23 23 LEU CB C 23 43.922 43.922 45.000 -1.078 19231 128 1 1 . 1 1 23 23 LEU H H 23 8.834 8.834 9.148 -0.314 19231 129 1 1 . 1 1 24 24 GLY N N 24 117.546 117.546 115.688 1.858 19231 130 1 1 . 1 1 24 24 GLY C C 24 174.915 174.915 175.044 -0.129 19231 131 1 1 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.726 1.494 19231 132 1 1 . 1 1 24 24 GLY H H 24 9.401 9.401 8.788 0.613 19231 133 1 1 . 1 1 25 25 GLU N N 25 124.565 124.565 113.511 11.054 19231 134 1 1 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.904 0.424 19231 135 1 1 . 1 1 25 25 GLU C C 25 176.350 176.350 175.766 0.584 19231 136 1 1 . 1 1 25 25 GLU CA C 25 56.400 56.400 57.919 -1.519 19231 137 1 1 . 1 1 25 25 GLU CB C 25 29.811 29.811 28.530 1.280 19231 138 1 1 . 1 1 25 25 GLU H H 25 9.051 9.051 8.831 0.220 19231 139 1 1 . 1 1 26 26 THR N N 26 117.538 117.538 111.454 6.084 19231 140 1 1 . 1 1 26 26 THR HA H 26 4.305 4.305 4.629 -0.324 19231 141 1 1 . 1 1 26 26 THR C C 26 173.226 173.226 173.712 -0.486 19231 142 1 1 . 1 1 26 26 THR CA C 26 62.118 62.118 60.698 1.420 19231 143 1 1 . 1 1 26 26 THR CB C 26 70.399 70.399 70.673 -0.274 19231 144 1 1 . 1 1 26 26 THR H H 26 8.140 8.140 7.617 0.523 19231 145 1 1 . 1 1 27 27 ALA N N 27 131.183 131.183 128.044 3.139 19231 146 1 1 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.994 0.096 19231 147 1 1 . 1 1 27 27 ALA C C 27 177.483 177.483 176.757 0.726 19231 148 1 1 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.088 0.346 19231 149 1 1 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.789 -0.874 19231 150 1 1 . 1 1 27 27 ALA H H 27 8.937 8.937 8.585 0.352 19231 151 1 1 . 1 1 28 28 LEU N N 28 124.160 124.160 125.783 -1.623 19231 152 1 1 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.387 -0.051 19231 153 1 1 . 1 1 28 28 LEU C C 28 176.114 176.114 176.221 -0.107 19231 154 1 1 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.618 -1.012 19231 155 1 1 . 1 1 28 28 LEU CB C 28 43.322 43.322 44.165 -0.843 19231 156 1 1 . 1 1 28 28 LEU H H 28 8.663 8.663 7.650 1.013 19231 157 1 1 . 1 1 29 29 ASP N N 29 124.715 124.715 125.750 -1.035 19231 158 1 1 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.813 -0.103 19231 159 1 1 . 1 1 29 29 ASP C C 29 174.721 174.721 175.361 -0.640 19231 160 1 1 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.728 -0.404 19231 161 1 1 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.881 -0.545 19231 162 1 1 . 1 1 29 29 ASP H H 29 8.690 8.690 8.475 0.215 19231 163 1 1 . 1 1 30 30 LEU N N 30 123.472 123.472 121.342 2.130 19231 164 1 1 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.827 0.004 19231 165 1 1 . 1 1 30 30 LEU C C 30 177.944 177.944 176.646 1.298 19231 166 1 1 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.654 -0.717 19231 167 1 1 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.710 -0.730 19231 168 1 1 . 1 1 30 30 LEU H H 30 7.969 7.969 7.929 0.040 19231 169 1 1 . 1 1 31 31 THR N N 31 115.969 115.969 112.110 3.859 19231 170 1 1 . 1 1 31 31 THR HA H 31 4.700 4.700 4.432 0.268 19231 171 1 1 . 1 1 31 31 THR C C 31 173.645 173.645 174.783 -1.138 19231 172 1 1 . 1 1 31 31 THR CA C 31 60.704 60.704 60.118 0.586 19231 173 1 1 . 1 1 31 31 THR CB C 31 67.869 67.869 68.736 -0.867 19231 174 1 1 . 1 1 31 31 THR H H 31 8.864 8.864 8.349 0.515 19231 175 1 1 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.092 0.188 19231 176 1 1 . 1 1 32 32 PRO C C 32 178.657 178.657 178.684 -0.027 19231 177 1 1 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.885 0.619 19231 178 1 1 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.859 0.120 19231 179 1 1 . 1 1 33 33 LYS N N 33 116.417 116.417 116.228 0.189 19231 180 1 1 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.029 -0.105 19231 181 1 1 . 1 1 33 33 LYS C C 33 178.084 178.084 178.838 -0.754 19231 182 1 1 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.931 -0.266 19231 183 1 1 . 1 1 33 33 LYS CB C 33 32.572 32.572 32.044 0.528 19231 184 1 1 . 1 1 33 33 LYS H H 33 8.044 8.044 8.322 -0.278 19231 185 1 1 . 1 1 34 34 GLU N N 34 118.272 118.272 118.660 -0.388 19231 186 1 1 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.984 -0.364 19231 187 1 1 . 1 1 34 34 GLU C C 34 178.512 178.512 178.566 -0.054 19231 188 1 1 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.868 0.676 19231 189 1 1 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.008 1.513 19231 190 1 1 . 1 1 34 34 GLU H H 34 7.376 7.376 7.889 -0.513 19231 191 1 1 . 1 1 35 35 TYR N N 35 118.351 118.351 119.490 -1.139 19231 192 1 1 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.150 -0.453 19231 193 1 1 . 1 1 35 35 TYR C C 35 177.597 177.597 177.047 0.550 19231 194 1 1 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.316 0.985 19231 195 1 1 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.093 -0.160 19231 196 1 1 . 1 1 35 35 TYR H H 35 8.950 8.950 7.566 1.384 19231 197 1 1 . 1 1 36 36 ALA N N 36 123.913 123.913 122.569 1.344 19231 198 1 1 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.115 -0.372 19231 199 1 1 . 1 1 36 36 ALA C C 36 180.061 180.061 179.125 0.936 19231 200 1 1 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.030 0.383 19231 201 1 1 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.317 -0.254 19231 202 1 1 . 1 1 36 36 ALA H H 36 8.147 8.147 7.720 0.427 19231 203 1 1 . 1 1 37 37 LEU N N 37 116.924 116.924 119.466 -2.542 19231 204 1 1 . 1 1 37 37 LEU HA H 37 3.910 3.910 3.984 -0.074 19231 205 1 1 . 1 1 37 37 LEU C C 37 177.760 177.760 179.207 -1.447 19231 206 1 1 . 1 1 37 37 LEU CA C 37 57.336 57.336 58.052 -0.716 19231 207 1 1 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.429 1.614 19231 208 1 1 . 1 1 37 37 LEU H H 37 7.651 7.651 7.528 0.123 19231 209 1 1 . 1 1 38 38 LEU N N 38 118.232 118.232 120.011 -1.779 19231 210 1 1 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.835 0.035 19231 211 1 1 . 1 1 38 38 LEU C C 38 178.524 178.524 178.287 0.237 19231 212 1 1 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.148 -0.751 19231 213 1 1 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.297 -0.168 19231 214 1 1 . 1 1 38 38 LEU H H 38 8.550 8.550 8.724 -0.174 19231 215 1 1 . 1 1 39 39 SER N N 39 113.045 113.045 113.318 -0.273 19231 216 1 1 . 1 1 39 39 SER HA H 39 3.700 3.700 3.959 -0.259 19231 217 1 1 . 1 1 39 39 SER C C 39 175.854 175.854 176.740 -0.886 19231 218 1 1 . 1 1 39 39 SER CA C 39 62.126 62.126 61.454 0.672 19231 219 1 1 . 1 1 39 39 SER CB C 39 68.227 68.227 62.433 5.794 19231 220 1 1 . 1 1 39 39 SER H H 39 8.540 8.540 8.013 0.527 19231 221 1 1 . 1 1 40 40 ARG N N 40 121.521 121.521 121.084 0.437 19231 222 1 1 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.148 -0.138 19231 223 1 1 . 1 1 40 40 ARG C C 40 178.731 178.731 178.075 0.656 19231 224 1 1 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.413 -0.102 19231 225 1 1 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.680 -1.155 19231 226 1 1 . 1 1 40 40 ARG H H 40 7.112 7.112 7.276 -0.164 19231 227 1 1 . 1 1 41 41 LEU N N 41 115.939 115.939 120.451 -4.512 19231 228 1 1 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.942 0.050 19231 229 1 1 . 1 1 41 41 LEU C C 41 180.049 180.049 178.780 1.269 19231 230 1 1 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.507 -0.671 19231 231 1 1 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.837 0.179 19231 232 1 1 . 1 1 41 41 LEU H H 41 7.960 7.960 7.406 0.554 19231 233 1 1 . 1 1 42 42 MET N N 42 116.335 116.335 115.801 0.534 19231 234 1 1 . 1 1 42 42 MET HA H 42 3.877 3.877 4.051 -0.174 19231 235 1 1 . 1 1 42 42 MET C C 42 178.748 178.748 178.780 -0.032 19231 236 1 1 . 1 1 42 42 MET CA C 42 59.530 59.530 58.417 1.113 19231 237 1 1 . 1 1 42 42 MET CB C 42 33.449 33.449 32.672 0.777 19231 238 1 1 . 1 1 42 42 MET H H 42 8.825 8.825 7.645 1.180 19231 239 1 1 . 1 1 43 43 MET N N 43 119.000 119.000 120.077 -1.077 19231 240 1 1 . 1 1 43 43 MET HA H 43 4.137 4.137 4.178 -0.041 19231 241 1 1 . 1 1 43 43 MET C C 43 176.813 176.813 176.925 -0.112 19231 242 1 1 . 1 1 43 43 MET CA C 43 58.405 58.405 58.395 0.010 19231 243 1 1 . 1 1 43 43 MET CB C 43 32.382 32.382 32.919 -0.537 19231 244 1 1 . 1 1 43 43 MET H H 43 8.250 8.250 7.435 0.815 19231 245 1 1 . 1 1 44 44 LYS N N 44 117.715 117.715 118.176 -0.461 19231 246 1 1 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.529 0.102 19231 247 1 1 . 1 1 44 44 LYS C C 44 175.226 175.226 174.688 0.538 19231 248 1 1 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.759 -1.933 19231 249 1 1 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.852 -1.381 19231 250 1 1 . 1 1 44 44 LYS H H 44 7.088 7.088 7.515 -0.427 19231 251 1 1 . 1 1 45 45 ALA N N 45 122.613 122.613 123.950 -1.337 19231 252 1 1 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.402 -0.083 19231 253 1 1 . 1 1 45 45 ALA C C 45 178.994 178.994 177.235 1.759 19231 254 1 1 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.227 1.448 19231 255 1 1 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.003 1.393 19231 256 1 1 . 1 1 45 45 ALA H H 45 6.952 6.952 7.817 -0.865 19231 257 1 1 . 1 1 46 46 GLY N N 46 109.561 109.561 111.743 -2.182 19231 258 1 1 . 1 1 46 46 GLY C C 46 173.547 173.547 173.956 -0.409 19231 259 1 1 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.257 0.209 19231 260 1 1 . 1 1 46 46 GLY H H 46 8.944 8.944 8.296 0.648 19231 261 1 1 . 1 1 47 47 SER N N 47 116.886 116.886 116.490 0.396 19231 262 1 1 . 1 1 47 47 SER HA H 47 5.130 5.130 5.079 0.051 19231 263 1 1 . 1 1 47 47 SER C C 47 170.481 170.481 171.975 -1.494 19231 264 1 1 . 1 1 47 47 SER CA C 47 55.988 55.988 55.976 0.012 19231 265 1 1 . 1 1 47 47 SER CB C 47 65.098 65.098 65.215 -0.117 19231 266 1 1 . 1 1 47 47 SER H H 47 8.759 8.759 7.741 1.018 19231 267 1 1 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.682 -0.264 19231 268 1 1 . 1 1 48 48 PRO C C 48 175.854 175.854 176.101 -0.247 19231 269 1 1 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.637 -0.191 19231 270 1 1 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.154 0.755 19231 271 1 1 . 1 1 49 49 VAL N N 49 124.173 124.173 124.058 0.115 19231 272 1 1 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.179 0.232 19231 273 1 1 . 1 1 49 49 VAL C C 49 175.186 175.186 175.592 -0.406 19231 274 1 1 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.315 1.144 19231 275 1 1 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.727 -0.231 19231 276 1 1 . 1 1 49 49 VAL H H 49 9.235 9.235 8.745 0.490 19231 277 1 1 . 1 1 50 50 HIS N N 50 128.035 128.035 127.464 0.571 19231 278 1 1 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.232 -0.662 19231 279 1 1 . 1 1 50 50 HIS C C 50 177.130 177.130 176.045 1.085 19231 280 1 1 . 1 1 50 50 HIS CA C 50 58.453 58.453 57.321 1.132 19231 281 1 1 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.650 0.892 19231 282 1 1 . 1 1 50 50 HIS H H 50 8.791 8.791 8.742 0.049 19231 283 1 1 . 1 1 51 51 ARG N N 51 125.631 125.631 124.157 1.474 19231 284 1 1 . 1 1 51 51 ARG HA H 51 3.880 3.880 4.023 -0.143 19231 285 1 1 . 1 1 51 51 ARG C C 51 176.786 176.786 177.720 -0.934 19231 286 1 1 . 1 1 51 51 ARG CA C 51 60.079 60.079 58.598 1.481 19231 287 1 1 . 1 1 51 51 ARG CB C 51 30.150 30.150 30.307 -0.157 19231 288 1 1 . 1 1 51 51 ARG H H 51 8.544 8.544 7.994 0.550 19231 289 1 1 . 1 1 52 52 GLU N N 52 120.964 120.964 120.344 0.620 19231 290 1 1 . 1 1 52 52 GLU HA H 52 4.080 4.080 4.141 -0.061 19231 291 1 1 . 1 1 52 52 GLU C C 52 179.334 179.334 178.190 1.144 19231 292 1 1 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.900 0.869 19231 293 1 1 . 1 1 52 52 GLU CB C 52 29.228 29.228 29.460 -0.232 19231 294 1 1 . 1 1 52 52 GLU H H 52 10.831 10.831 6.771 4.061 19231 295 1 1 . 1 1 53 53 ILE N N 53 119.337 119.337 119.188 0.149 19231 296 1 1 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.760 0.111 19231 297 1 1 . 1 1 53 53 ILE C C 53 178.080 178.080 177.995 0.085 19231 298 1 1 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.537 -1.427 19231 299 1 1 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.805 -0.309 19231 300 1 1 . 1 1 53 53 ILE H H 53 7.239 7.239 7.870 -0.631 19231 301 1 1 . 1 1 54 54 LEU N N 54 118.502 118.502 120.306 -1.804 19231 302 1 1 . 1 1 54 54 LEU HA H 54 4.160 4.160 3.820 0.340 19231 303 1 1 . 1 1 54 54 LEU C C 54 178.676 178.676 179.635 -0.959 19231 304 1 1 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.821 -0.747 19231 305 1 1 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.006 0.317 19231 306 1 1 . 1 1 54 54 LEU H H 54 7.198 7.198 7.402 -0.204 19231 307 1 1 . 1 1 55 55 TYR N N 55 117.114 117.114 118.627 -1.513 19231 308 1 1 . 1 1 55 55 TYR HA H 55 4.135 4.135 3.845 0.290 19231 309 1 1 . 1 1 55 55 TYR C C 55 177.987 177.987 177.568 0.419 19231 310 1 1 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.725 -0.588 19231 311 1 1 . 1 1 55 55 TYR CB C 55 38.107 38.107 37.396 0.711 19231 312 1 1 . 1 1 55 55 TYR H H 55 8.872 8.872 7.572 1.300 19231 313 1 1 . 1 1 56 56 ASN N N 56 116.720 116.720 115.332 1.388 19231 314 1 1 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.531 -0.046 19231 315 1 1 . 1 1 56 56 ASN C C 56 177.439 177.439 176.100 1.339 19231 316 1 1 . 1 1 56 56 ASN CA C 56 56.013 56.013 54.770 1.243 19231 317 1 1 . 1 1 56 56 ASN CB C 56 38.290 38.290 37.889 0.401 19231 318 1 1 . 1 1 56 56 ASN H H 56 7.796 7.796 7.803 -0.007 19231 319 1 1 . 1 1 57 57 ASP N N 57 118.532 118.532 120.357 -1.825 19231 320 1 1 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.374 0.166 19231 321 1 1 . 1 1 57 57 ASP C C 57 177.886 177.886 177.472 0.414 19231 322 1 1 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.588 0.498 19231 323 1 1 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.943 -0.063 19231 324 1 1 . 1 1 57 57 ASP H H 57 7.842 7.842 7.852 -0.010 19231 325 1 1 . 1 1 58 58 ILE N N 58 109.975 109.975 118.074 -8.099 19231 326 1 1 . 1 1 58 58 ILE HA H 58 4.300 4.300 4.075 0.225 19231 327 1 1 . 1 1 58 58 ILE C C 58 175.916 175.916 176.259 -0.343 19231 328 1 1 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.464 -1.124 19231 329 1 1 . 1 1 58 58 ILE CB C 58 38.830 38.830 39.281 -0.451 19231 330 1 1 . 1 1 58 58 ILE H H 58 7.277 7.277 7.746 -0.469 19231 331 1 1 . 1 1 59 59 TYR N N 59 122.761 122.761 113.809 8.952 19231 332 1 1 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.862 -0.566 19231 333 1 1 . 1 1 59 59 TYR C C 59 176.037 176.037 174.403 1.634 19231 334 1 1 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.897 2.273 19231 335 1 1 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.834 -1.557 19231 336 1 1 . 1 1 59 59 TYR H H 59 7.788 7.788 7.645 0.143 19231 337 1 1 . 1 1 60 60 SER N N 60 117.350 117.350 118.848 -1.498 19231 338 1 1 . 1 1 60 60 SER HA H 60 4.292 4.292 4.670 -0.378 19231 339 1 1 . 1 1 60 60 SER C C 60 174.206 174.206 174.296 -0.090 19231 340 1 1 . 1 1 60 60 SER CA C 60 57.976 57.976 57.684 0.292 19231 341 1 1 . 1 1 60 60 SER CB C 60 63.884 63.884 62.790 1.094 19231 342 1 1 . 1 1 60 60 SER H H 60 7.721 7.721 8.709 -0.988 19231 343 1 1 . 1 1 61 61 TRP N N 61 122.170 122.170 123.045 -0.875 19231 344 1 1 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.570 -0.093 19231 345 1 1 . 1 1 61 61 TRP C C 61 175.798 175.798 174.968 0.830 19231 346 1 1 . 1 1 61 61 TRP CA C 61 57.863 57.863 58.422 -0.559 19231 347 1 1 . 1 1 61 61 TRP CB C 61 28.826 28.826 30.066 -1.240 19231 348 1 1 . 1 1 61 61 TRP H H 61 7.990 7.990 8.128 -0.138 19231 349 1 1 . 1 1 62 62 ASP N N 62 119.118 119.118 118.763 0.355 19231 350 1 1 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.539 -0.099 19231 351 1 1 . 1 1 62 62 ASP C C 62 175.559 175.559 175.961 -0.402 19231 352 1 1 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.184 -1.373 19231 353 1 1 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.861 -0.145 19231 354 1 1 . 1 1 62 62 ASP H H 62 7.900 7.900 8.360 -0.460 19231 355 1 1 . 1 1 63 63 ASN N N 63 117.586 117.586 121.359 -3.773 19231 356 1 1 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.774 -0.228 19231 357 1 1 . 1 1 63 63 ASN C C 63 174.737 174.737 175.339 -0.602 19231 358 1 1 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.971 -0.813 19231 359 1 1 . 1 1 63 63 ASN CB C 63 38.743 38.743 39.531 -0.788 19231 360 1 1 . 1 1 63 63 ASN H H 63 8.080 8.080 8.400 -0.320 19231 361 1 1 . 1 1 64 64 GLU N N 64 121.831 121.831 119.274 2.557 19231 362 1 1 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.666 -0.086 19231 363 1 1 . 1 1 64 64 GLU C C 64 174.706 174.706 174.274 0.432 19231 364 1 1 . 1 1 64 64 GLU CA C 64 54.760 54.760 54.972 -0.212 19231 365 1 1 . 1 1 64 64 GLU CB C 64 29.829 29.829 30.122 -0.293 19231 366 1 1 . 1 1 64 64 GLU H H 64 8.224 8.224 8.762 -0.538 19231 367 1 1 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.587 -0.193 19231 368 1 1 . 1 1 65 65 PRO C C 65 177.312 177.312 176.460 0.852 19231 369 1 1 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.748 1.076 19231 370 1 1 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.058 0.813 19231 371 1 1 . 1 1 66 66 ALA N N 66 122.755 122.755 127.240 -4.485 19231 372 1 1 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.254 0.096 19231 373 1 1 . 1 1 66 66 ALA C C 66 178.352 178.352 177.528 0.824 19231 374 1 1 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.456 -0.608 19231 375 1 1 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.157 -0.071 19231 376 1 1 . 1 1 66 66 ALA H H 66 8.465 8.465 7.905 0.560 19231 377 1 1 . 1 1 67 67 THR N N 67 111.079 111.079 116.044 -4.965 19231 378 1 1 . 1 1 67 67 THR HA H 67 4.287 4.287 4.305 -0.018 19231 379 1 1 . 1 1 67 67 THR C C 67 175.040 175.040 173.780 1.260 19231 380 1 1 . 1 1 67 67 THR CA C 67 62.505 62.505 62.725 -0.220 19231 381 1 1 . 1 1 67 67 THR CB C 67 69.187 69.187 69.505 -0.318 19231 382 1 1 . 1 1 67 67 THR H H 67 8.002 8.002 7.961 0.041 19231 383 1 1 . 1 1 68 68 ASN N N 68 120.768 120.768 122.323 -1.555 19231 384 1 1 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.689 0.290 19231 385 1 1 . 1 1 68 68 ASN C C 68 175.250 175.250 175.004 0.246 19231 386 1 1 . 1 1 68 68 ASN CA C 68 53.036 53.036 53.933 -0.897 19231 387 1 1 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.650 0.028 19231 388 1 1 . 1 1 68 68 ASN H H 68 8.280 8.280 8.623 -0.343 19231 389 1 1 . 1 1 69 69 THR N N 69 112.288 112.288 116.256 -3.968 19231 390 1 1 . 1 1 69 69 THR HA H 69 4.480 4.480 4.283 0.197 19231 391 1 1 . 1 1 69 69 THR C C 69 175.830 175.830 175.136 0.694 19231 392 1 1 . 1 1 69 69 THR CA C 69 62.328 62.328 63.274 -0.946 19231 393 1 1 . 1 1 69 69 THR CB C 69 69.927 69.927 69.681 0.246 19231 394 1 1 . 1 1 69 69 THR H H 69 7.691 7.691 8.312 -0.621 19231 395 1 1 . 1 1 70 70 LEU N N 70 123.384 123.384 122.306 1.078 19231 396 1 1 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.136 -0.056 19231 397 1 1 . 1 1 70 70 LEU C C 70 177.457 177.457 179.038 -1.581 19231 398 1 1 . 1 1 70 70 LEU CA C 70 58.608 58.608 59.328 -0.720 19231 399 1 1 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.837 -0.343 19231 400 1 1 . 1 1 70 70 LEU H H 70 8.843 8.843 8.622 0.221 19231 401 1 1 . 1 1 71 71 GLU N N 71 116.878 116.878 117.982 -1.104 19231 402 1 1 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.095 -0.390 19231 403 1 1 . 1 1 71 71 GLU C C 71 179.305 179.305 178.314 0.991 19231 404 1 1 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.330 1.841 19231 405 1 1 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.044 -0.216 19231 406 1 1 . 1 1 71 71 GLU H H 71 8.652 8.652 8.502 0.150 19231 407 1 1 . 1 1 72 72 VAL N N 72 121.419 121.419 119.489 1.930 19231 408 1 1 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.863 -0.178 19231 409 1 1 . 1 1 72 72 VAL C C 72 177.680 177.680 178.148 -0.468 19231 410 1 1 . 1 1 72 72 VAL CA C 72 66.111 66.111 65.663 0.448 19231 411 1 1 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.092 0.375 19231 412 1 1 . 1 1 72 72 VAL H H 72 7.559 7.559 7.900 -0.341 19231 413 1 1 . 1 1 73 73 HIS N N 73 118.272 118.272 120.930 -2.658 19231 414 1 1 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.489 -0.029 19231 415 1 1 . 1 1 73 73 HIS C C 73 178.616 178.616 177.876 0.740 19231 416 1 1 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.518 0.688 19231 417 1 1 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.608 1.661 19231 418 1 1 . 1 1 73 73 HIS H H 73 7.420 7.420 8.630 -1.210 19231 419 1 1 . 1 1 74 74 ILE N N 74 118.940 118.940 119.423 -0.483 19231 420 1 1 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.392 0.178 19231 421 1 1 . 1 1 74 74 ILE C C 74 177.819 177.819 177.697 0.122 19231 422 1 1 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.319 -3.376 19231 423 1 1 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.523 -3.248 19231 424 1 1 . 1 1 74 74 ILE H H 74 8.515 8.515 7.597 0.918 19231 425 1 1 . 1 1 75 75 HIS N N 75 120.484 120.484 118.984 1.500 19231 426 1 1 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.348 -0.078 19231 427 1 1 . 1 1 75 75 HIS C C 75 177.445 177.445 177.965 -0.520 19231 428 1 1 . 1 1 75 75 HIS CA C 75 60.116 60.116 58.723 1.393 19231 429 1 1 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.151 -0.339 19231 430 1 1 . 1 1 75 75 HIS H H 75 8.189 8.189 7.516 0.673 19231 431 1 1 . 1 1 76 76 ASN N N 76 119.098 119.098 119.158 -0.060 19231 432 1 1 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.520 -0.131 19231 433 1 1 . 1 1 76 76 ASN C C 76 178.615 178.615 177.903 0.712 19231 434 1 1 . 1 1 76 76 ASN CA C 76 55.505 55.505 56.582 -1.077 19231 435 1 1 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.633 -1.324 19231 436 1 1 . 1 1 76 76 ASN H H 76 8.456 8.456 8.231 0.225 19231 437 1 1 . 1 1 77 77 LEU N N 77 120.517 120.517 120.538 -0.021 19231 438 1 1 . 1 1 77 77 LEU HA H 77 3.951 3.951 3.951 0.000 19231 439 1 1 . 1 1 77 77 LEU C C 77 178.945 178.945 178.101 0.844 19231 440 1 1 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.424 0.572 19231 441 1 1 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.432 1.674 19231 442 1 1 . 1 1 77 77 LEU H H 77 8.579 8.579 8.255 0.324 19231 443 1 1 . 1 1 78 78 ARG N N 78 119.521 119.521 120.370 -0.849 19231 444 1 1 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.801 -0.141 19231 445 1 1 . 1 1 78 78 ARG C C 78 178.766 178.766 178.582 0.184 19231 446 1 1 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.135 -0.700 19231 447 1 1 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.155 0.679 19231 448 1 1 . 1 1 78 78 ARG H H 78 8.687 8.687 8.527 0.160 19231 449 1 1 . 1 1 79 79 GLU N N 79 116.882 116.882 116.373 0.509 19231 450 1 1 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.130 -0.201 19231 451 1 1 . 1 1 79 79 GLU C C 79 178.226 178.226 178.786 -0.560 19231 452 1 1 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.709 -0.043 19231 453 1 1 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.073 0.478 19231 454 1 1 . 1 1 79 79 GLU H H 79 7.717 7.717 7.841 -0.124 19231 455 1 1 . 1 1 80 80 LYS N N 80 116.574 116.574 118.468 -1.894 19231 456 1 1 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.081 0.171 19231 457 1 1 . 1 1 80 80 LYS C C 80 178.413 178.413 178.931 -0.518 19231 458 1 1 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.528 0.533 19231 459 1 1 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.699 1.739 19231 460 1 1 . 1 1 80 80 LYS H H 80 7.419 7.419 7.666 -0.247 19231 461 1 1 . 1 1 81 81 ILE N N 81 108.393 108.393 111.821 -3.428 19231 462 1 1 . 1 1 81 81 ILE HA H 81 4.684 4.684 3.951 0.733 19231 463 1 1 . 1 1 81 81 ILE C C 81 174.986 174.986 176.360 -1.374 19231 464 1 1 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.802 -0.656 19231 465 1 1 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.072 1.140 19231 466 1 1 . 1 1 81 81 ILE H H 81 8.162 8.162 7.686 0.476 19231 467 1 1 . 1 1 82 82 GLY N N 82 113.636 113.636 109.375 4.261 19231 468 1 1 . 1 1 82 82 GLY C C 82 175.419 175.419 174.895 0.524 19231 469 1 1 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.876 -0.020 19231 470 1 1 . 1 1 82 82 GLY H H 82 7.852 7.852 7.519 0.333 19231 471 1 1 . 1 1 83 83 LYS N N 83 125.732 125.732 124.054 1.678 19231 472 1 1 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.916 -0.186 19231 473 1 1 . 1 1 83 83 LYS C C 83 178.177 178.177 178.047 0.130 19231 474 1 1 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.727 1.195 19231 475 1 1 . 1 1 83 83 LYS CB C 83 32.366 32.366 32.235 0.131 19231 476 1 1 . 1 1 83 83 LYS H H 83 8.511 8.511 8.288 0.223 19231 477 1 1 . 1 1 84 84 SER N N 84 110.852 110.852 114.620 -3.768 19231 478 1 1 . 1 1 84 84 SER HA H 84 4.346 4.346 4.230 0.116 19231 479 1 1 . 1 1 84 84 SER C C 84 175.008 175.008 175.892 -0.884 19231 480 1 1 . 1 1 84 84 SER CA C 84 58.935 58.935 61.000 -2.065 19231 481 1 1 . 1 1 84 84 SER CB C 84 63.140 63.140 62.978 0.162 19231 482 1 1 . 1 1 84 84 SER H H 84 8.438 8.438 8.391 0.047 19231 483 1 1 . 1 1 85 85 ARG N N 85 118.561 118.561 118.028 0.533 19231 484 1 1 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.451 -0.221 19231 485 1 1 . 1 1 85 85 ARG C C 85 176.208 176.208 175.174 1.034 19231 486 1 1 . 1 1 85 85 ARG CA C 85 57.156 57.156 54.903 2.253 19231 487 1 1 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.090 0.298 19231 488 1 1 . 1 1 85 85 ARG H H 85 7.656 7.656 7.801 -0.145 19231 489 1 1 . 1 1 86 86 ILE N N 86 113.200 113.200 118.382 -5.182 19231 490 1 1 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.353 0.542 19231 491 1 1 . 1 1 86 86 ILE C C 86 175.573 175.573 175.243 0.330 19231 492 1 1 . 1 1 86 86 ILE CA C 86 59.461 59.461 58.754 0.707 19231 493 1 1 . 1 1 86 86 ILE CB C 86 39.188 39.188 40.292 -1.104 19231 494 1 1 . 1 1 86 86 ILE H H 86 6.880 6.880 7.517 -0.637 19231 495 1 1 . 1 1 87 87 ARG N N 87 128.727 128.727 122.347 6.380 19231 496 1 1 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.684 0.113 19231 497 1 1 . 1 1 87 87 ARG C C 87 176.501 176.501 174.774 1.727 19231 498 1 1 . 1 1 87 87 ARG CA C 87 53.664 53.664 55.017 -1.353 19231 499 1 1 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.234 -1.223 19231 500 1 1 . 1 1 87 87 ARG H H 87 9.786 9.786 8.371 1.415 19231 501 1 1 . 1 1 88 88 THR N N 88 122.821 122.821 116.961 5.860 19231 502 1 1 . 1 1 88 88 THR HA H 88 4.138 4.138 3.956 0.182 19231 503 1 1 . 1 1 88 88 THR C C 88 173.802 173.802 174.304 -0.502 19231 504 1 1 . 1 1 88 88 THR CA C 88 63.514 63.514 60.995 2.519 19231 505 1 1 . 1 1 88 88 THR CB C 88 68.908 68.908 69.438 -0.530 19231 506 1 1 . 1 1 88 88 THR H H 88 9.421 9.421 8.433 0.988 19231 507 1 1 . 1 1 89 89 VAL N N 89 130.400 130.400 127.276 3.124 19231 508 1 1 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.244 -0.064 19231 509 1 1 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.368 0.010 19231 510 1 1 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.559 -0.673 19231 511 1 1 . 1 1 89 89 VAL H H 89 8.400 8.400 7.848 0.552 19231 512 1 1 . 1 1 91 91 GLY C C 91 173.530 173.530 173.075 0.455 19231 513 1 1 . 1 1 91 91 GLY CA C 91 45.525 45.525 44.990 0.535 19231 514 1 1 . 1 1 92 92 PHE N N 92 119.601 119.601 120.607 -1.006 19231 515 1 1 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.690 -0.249 19231 516 1 1 . 1 1 92 92 PHE C C 92 174.744 174.744 173.435 1.309 19231 517 1 1 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.178 1.876 19231 518 1 1 . 1 1 92 92 PHE CB C 92 43.433 43.433 41.955 1.478 19231 519 1 1 . 1 1 92 92 PHE H H 92 8.332 8.332 7.873 0.459 19231 520 1 1 . 1 1 93 93 GLY N N 93 105.445 105.445 104.534 0.911 19231 521 1 1 . 1 1 93 93 GLY C C 93 171.776 171.776 171.842 -0.066 19231 522 1 1 . 1 1 93 93 GLY CA C 93 46.715 46.715 45.769 0.946 19231 523 1 1 . 1 1 93 93 GLY H H 93 8.377 8.377 7.425 0.952 19231 524 1 1 . 1 1 94 94 TYR N N 94 122.471 122.471 118.077 4.394 19231 525 1 1 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.831 0.599 19231 526 1 1 . 1 1 94 94 TYR C C 94 172.889 172.889 173.799 -0.910 19231 527 1 1 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.467 -0.098 19231 528 1 1 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.851 0.201 19231 529 1 1 . 1 1 94 94 TYR H H 94 8.475 8.475 8.006 0.469 19231 530 1 1 . 1 1 95 95 MET N N 95 118.643 118.643 119.562 -0.919 19231 531 1 1 . 1 1 95 95 MET HA H 95 4.890 4.890 4.867 0.023 19231 532 1 1 . 1 1 95 95 MET C C 95 173.438 173.438 173.641 -0.203 19231 533 1 1 . 1 1 95 95 MET CA C 95 54.125 54.125 55.160 -1.036 19231 534 1 1 . 1 1 95 95 MET CB C 95 39.364 39.364 36.947 2.417 19231 535 1 1 . 1 1 95 95 MET H H 95 8.936 8.936 8.824 0.112 19231 536 1 1 . 1 1 96 96 LEU N N 96 130.194 130.194 124.521 5.673 19231 537 1 1 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.562 0.518 19231 538 1 1 . 1 1 96 96 LEU C C 96 174.912 174.912 176.341 -1.429 19231 539 1 1 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.733 -0.251 19231 540 1 1 . 1 1 96 96 LEU CB C 96 43.756 43.756 43.313 0.443 19231 541 1 1 . 1 1 96 96 LEU H H 96 9.848 9.848 8.717 1.131 19231 542 1 1 . 1 1 97 97 ALA N N 97 131.168 131.168 125.912 5.256 19231 543 1 1 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.149 0.187 19231 544 1 1 . 1 1 97 97 ALA C C 97 176.560 176.560 177.393 -0.833 19231 545 1 1 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.675 -0.780 19231 546 1 1 . 1 1 97 97 ALA CB C 97 20.011 20.011 18.835 1.176 19231 547 1 1 . 1 1 97 97 ALA H H 97 8.681 8.681 8.657 0.024 19231 548 1 1 . 1 1 98 98 ASN N N 98 118.268 118.268 124.668 -6.400 19231 549 1 1 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.479 0.201 19231 550 1 1 . 1 1 98 98 ASN C C 98 174.939 174.939 174.761 0.178 19231 551 1 1 . 1 1 98 98 ASN CA C 98 52.429 52.429 52.454 -0.025 19231 552 1 1 . 1 1 98 98 ASN CB C 98 38.912 38.912 37.477 1.435 19231 553 1 1 . 1 1 98 98 ASN H H 98 8.654 8.654 8.537 0.117 19231 554 1 1 . 1 1 99 99 ASN N N 99 117.488 117.488 116.120 1.368 19231 555 1 1 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.389 0.411 19231 556 1 1 . 1 1 99 99 ASN C C 99 174.744 174.744 175.202 -0.458 19231 557 1 1 . 1 1 99 99 ASN CA C 99 53.048 53.048 54.178 -1.130 19231 558 1 1 . 1 1 99 99 ASN CB C 99 39.039 39.039 37.207 1.832 19231 559 1 1 . 1 1 99 99 ASN H H 99 8.131 8.131 8.933 -0.802 19231 560 1 1 . 1 1 100 100 ILE N N 100 118.881 118.881 113.476 5.405 19231 561 1 1 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.917 0.323 19231 562 1 1 . 1 1 100 100 ILE C C 100 175.769 175.769 177.233 -1.464 19231 563 1 1 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.440 -1.436 19231 564 1 1 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.988 0.691 19231 565 1 1 . 1 1 100 100 ILE H H 100 8.139 8.139 7.953 0.186 19231 566 1 1 . 1 1 101 101 ASP N N 101 123.516 123.516 119.574 3.942 19231 567 1 1 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.439 0.281 19231 568 1 1 . 1 1 101 101 ASP C C 101 176.210 176.210 177.775 -1.565 19231 569 1 1 . 1 1 101 101 ASP CA C 101 54.513 54.513 57.096 -2.583 19231 570 1 1 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.465 0.756 19231 571 1 1 . 1 1 101 101 ASP H H 101 8.426 8.426 8.522 -0.096 19231 572 1 1 . 1 1 102 102 THR N N 102 113.358 113.358 113.793 -0.435 19231 573 1 1 . 1 1 102 102 THR HA H 102 4.360 4.360 4.266 0.094 19231 574 1 1 . 1 1 102 102 THR C C 102 173.733 173.733 174.020 -0.287 19231 575 1 1 . 1 1 102 102 THR CA C 102 61.477 61.477 61.421 0.056 19231 576 1 1 . 1 1 102 102 THR CB C 102 69.788 69.788 67.506 2.282 19231 577 1 1 . 1 1 102 102 THR H H 102 8.045 8.045 7.761 0.284 19231 578 1 2 . 1 1 2 2 GLN N N 2 121.990 121.990 118.296 3.694 19231 579 1 2 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.097 0.240 19231 580 1 2 . 1 1 2 2 GLN C C 2 176.320 176.320 175.288 1.032 19231 581 1 2 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.620 -0.325 19231 582 1 2 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.843 1.427 19231 583 1 2 . 1 1 2 2 GLN H H 2 8.705 8.705 8.798 -0.093 19231 584 1 2 . 1 1 3 3 GLY N N 3 110.481 110.481 106.448 4.033 19231 585 1 2 . 1 1 3 3 GLY C C 3 174.116 174.116 173.645 0.471 19231 586 1 2 . 1 1 3 3 GLY CA C 3 45.115 45.115 44.734 0.381 19231 587 1 2 . 1 1 3 3 GLY H H 3 8.540 8.540 8.092 0.448 19231 588 1 2 . 1 1 4 4 ASP N N 4 120.750 120.750 119.386 1.364 19231 589 1 2 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.584 0.057 19231 590 1 2 . 1 1 4 4 ASP C C 4 175.974 175.974 175.111 0.863 19231 591 1 2 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.868 0.588 19231 592 1 2 . 1 1 4 4 ASP CB C 4 41.190 41.190 41.137 0.053 19231 593 1 2 . 1 1 4 4 ASP H H 4 8.251 8.251 8.128 0.123 19231 594 1 2 . 1 1 5 5 ASN N N 5 118.421 118.421 115.650 2.771 19231 595 1 2 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.828 -0.067 19231 596 1 2 . 1 1 5 5 ASN C C 5 174.017 174.017 173.039 0.978 19231 597 1 2 . 1 1 5 5 ASN CA C 5 53.354 53.354 52.614 0.740 19231 598 1 2 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.635 -1.699 19231 599 1 2 . 1 1 5 5 ASN H H 5 8.513 8.513 8.498 0.015 19231 600 1 2 . 1 1 6 6 GLU N N 6 120.905 120.905 119.160 1.745 19231 601 1 2 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.751 0.721 19231 602 1 2 . 1 1 6 6 GLU C C 6 175.808 175.808 174.150 1.658 19231 603 1 2 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.681 -0.586 19231 604 1 2 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.049 -0.036 19231 605 1 2 . 1 1 6 6 GLU H H 6 8.116 8.116 8.182 -0.066 19231 606 1 2 . 1 1 7 7 ILE N N 7 122.567 122.567 114.664 7.903 19231 607 1 2 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.729 -0.195 19231 608 1 2 . 1 1 7 7 ILE C C 7 174.653 174.653 173.980 0.673 19231 609 1 2 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.262 0.851 19231 610 1 2 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.940 -0.598 19231 611 1 2 . 1 1 7 7 ILE H H 7 8.966 8.966 8.585 0.381 19231 612 1 2 . 1 1 8 8 SER N N 8 120.446 120.446 117.689 2.757 19231 613 1 2 . 1 1 8 8 SER HA H 8 5.536 5.536 5.435 0.101 19231 614 1 2 . 1 1 8 8 SER C C 8 174.082 174.082 174.153 -0.071 19231 615 1 2 . 1 1 8 8 SER CA C 8 57.050 57.050 56.827 0.223 19231 616 1 2 . 1 1 8 8 SER CB C 8 65.470 65.470 65.481 -0.011 19231 617 1 2 . 1 1 8 8 SER H H 8 8.773 8.773 8.343 0.430 19231 618 1 2 . 1 1 9 9 VAL N N 9 124.896 124.896 125.878 -0.982 19231 619 1 2 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.264 -0.074 19231 620 1 2 . 1 1 9 9 VAL C C 9 176.141 176.141 176.010 0.131 19231 621 1 2 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.031 0.267 19231 622 1 2 . 1 1 9 9 VAL CB C 9 33.763 33.763 31.294 2.469 19231 623 1 2 . 1 1 9 9 VAL H H 9 8.874 8.874 8.902 -0.028 19231 624 1 2 . 1 1 10 10 GLY N N 10 117.992 117.992 117.943 0.049 19231 625 1 2 . 1 1 10 10 GLY C C 10 174.785 174.785 174.612 0.173 19231 626 1 2 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.522 0.808 19231 627 1 2 . 1 1 10 10 GLY H H 10 9.114 9.114 8.358 0.756 19231 628 1 2 . 1 1 11 11 ASN N N 11 124.908 124.908 122.701 2.207 19231 629 1 2 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.936 -0.248 19231 630 1 2 . 1 1 11 11 ASN C C 11 174.765 174.765 174.176 0.589 19231 631 1 2 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.488 0.390 19231 632 1 2 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.287 -2.010 19231 633 1 2 . 1 1 11 11 ASN H H 11 8.609 8.609 8.595 0.014 19231 634 1 2 . 1 1 12 12 LEU N N 12 123.550 123.550 122.614 0.936 19231 635 1 2 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.119 0.296 19231 636 1 2 . 1 1 12 12 LEU C C 12 175.653 175.653 175.900 -0.247 19231 637 1 2 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.289 -0.352 19231 638 1 2 . 1 1 12 12 LEU CB C 12 44.438 44.438 43.136 1.302 19231 639 1 2 . 1 1 12 12 LEU H H 12 8.256 8.256 7.535 0.721 19231 640 1 2 . 1 1 13 13 ARG N N 13 124.719 124.719 123.980 0.739 19231 641 1 2 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.755 0.472 19231 642 1 2 . 1 1 13 13 ARG C C 13 173.394 173.394 174.823 -1.429 19231 643 1 2 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.252 -0.235 19231 644 1 2 . 1 1 13 13 ARG CB C 13 34.507 34.507 31.942 2.565 19231 645 1 2 . 1 1 13 13 ARG H H 13 9.169 9.169 8.372 0.797 19231 646 1 2 . 1 1 14 14 LEU N N 14 127.743 127.743 126.083 1.660 19231 647 1 2 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.754 0.562 19231 648 1 2 . 1 1 14 14 LEU C C 14 174.807 174.807 174.808 -0.001 19231 649 1 2 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.841 -0.025 19231 650 1 2 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.285 0.521 19231 651 1 2 . 1 1 14 14 LEU H H 14 9.394 9.394 9.077 0.317 19231 652 1 2 . 1 1 15 15 ASN N N 15 125.577 125.577 124.202 1.375 19231 653 1 2 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.249 0.158 19231 654 1 2 . 1 1 15 15 ASN C C 15 175.621 175.621 175.926 -0.305 19231 655 1 2 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.637 -0.593 19231 656 1 2 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.853 0.214 19231 657 1 2 . 1 1 15 15 ASN H H 15 9.520 9.520 8.579 0.941 19231 658 1 2 . 1 1 16 16 VAL N N 16 123.478 123.478 125.986 -2.508 19231 659 1 2 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.060 0.020 19231 660 1 2 . 1 1 16 16 VAL C C 16 177.902 177.902 177.283 0.619 19231 661 1 2 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.304 -0.890 19231 662 1 2 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.120 0.084 19231 663 1 2 . 1 1 16 16 VAL H H 16 8.759 8.759 8.339 0.420 19231 664 1 2 . 1 1 17 17 THR N N 17 117.004 117.004 115.245 1.759 19231 665 1 2 . 1 1 17 17 THR HA H 17 4.340 4.340 3.994 0.346 19231 666 1 2 . 1 1 17 17 THR C C 17 176.177 176.177 175.774 0.403 19231 667 1 2 . 1 1 17 17 THR CA C 17 65.922 65.922 65.713 0.209 19231 668 1 2 . 1 1 17 17 THR CB C 17 68.899 68.899 69.128 -0.229 19231 669 1 2 . 1 1 17 17 THR H H 17 8.045 8.045 7.705 0.340 19231 670 1 2 . 1 1 18 18 ARG N N 18 117.565 117.565 118.104 -0.539 19231 671 1 2 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.359 -0.161 19231 672 1 2 . 1 1 18 18 ARG C C 18 174.802 174.802 175.508 -0.706 19231 673 1 2 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.762 -0.157 19231 674 1 2 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.435 0.790 19231 675 1 2 . 1 1 18 18 ARG H H 18 8.035 8.035 8.391 -0.356 19231 676 1 2 . 1 1 19 19 ARG N N 19 117.471 117.471 116.963 0.508 19231 677 1 2 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.410 0.504 19231 678 1 2 . 1 1 19 19 ARG C C 19 174.359 174.359 174.467 -0.108 19231 679 1 2 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.383 0.104 19231 680 1 2 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.142 -0.894 19231 681 1 2 . 1 1 19 19 ARG H H 19 7.877 7.877 7.923 -0.046 19231 682 1 2 . 1 1 20 20 LEU N N 20 118.701 118.701 119.095 -0.394 19231 683 1 2 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.588 -0.058 19231 684 1 2 . 1 1 20 20 LEU C C 20 174.619 174.619 173.709 0.910 19231 685 1 2 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.905 -1.051 19231 686 1 2 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.664 0.583 19231 687 1 2 . 1 1 20 20 LEU H H 20 7.565 7.565 7.979 -0.414 19231 688 1 2 . 1 1 21 21 VAL N N 21 120.636 120.636 120.000 0.636 19231 689 1 2 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.108 0.089 19231 690 1 2 . 1 1 21 21 VAL C C 21 174.036 174.036 174.578 -0.542 19231 691 1 2 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.455 -0.584 19231 692 1 2 . 1 1 21 21 VAL CB C 21 34.448 34.448 35.623 -1.175 19231 693 1 2 . 1 1 21 21 VAL H H 21 8.466 8.466 8.166 0.300 19231 694 1 2 . 1 1 22 22 TRP N N 22 126.709 126.709 124.325 2.384 19231 695 1 2 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.388 -0.258 19231 696 1 2 . 1 1 22 22 TRP C C 22 174.877 174.877 174.431 0.446 19231 697 1 2 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.088 0.979 19231 698 1 2 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.600 -0.463 19231 699 1 2 . 1 1 22 22 TRP H H 22 9.596 9.596 8.708 0.888 19231 700 1 2 . 1 1 23 23 LEU N N 23 123.443 123.443 124.240 -0.797 19231 701 1 2 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.722 0.312 19231 702 1 2 . 1 1 23 23 LEU C C 23 177.552 177.552 175.577 1.975 19231 703 1 2 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.449 -0.022 19231 704 1 2 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.299 0.623 19231 705 1 2 . 1 1 23 23 LEU H H 23 8.834 8.834 9.175 -0.341 19231 706 1 2 . 1 1 24 24 GLY N N 24 117.546 117.546 115.838 1.708 19231 707 1 2 . 1 1 24 24 GLY C C 24 174.915 174.915 174.636 0.279 19231 708 1 2 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.844 1.376 19231 709 1 2 . 1 1 24 24 GLY H H 24 9.401 9.401 8.460 0.941 19231 710 1 2 . 1 1 25 25 GLU N N 25 124.565 124.565 115.293 9.272 19231 711 1 2 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.986 0.342 19231 712 1 2 . 1 1 25 25 GLU C C 25 176.350 176.350 175.370 0.980 19231 713 1 2 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.104 -1.704 19231 714 1 2 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.453 0.358 19231 715 1 2 . 1 1 25 25 GLU H H 25 9.051 9.051 8.675 0.376 19231 716 1 2 . 1 1 26 26 THR N N 26 117.538 117.538 111.639 5.899 19231 717 1 2 . 1 1 26 26 THR HA H 26 4.305 4.305 4.550 -0.245 19231 718 1 2 . 1 1 26 26 THR C C 26 173.226 173.226 174.095 -0.869 19231 719 1 2 . 1 1 26 26 THR CA C 26 62.118 62.118 61.426 0.692 19231 720 1 2 . 1 1 26 26 THR CB C 26 70.399 70.399 70.381 0.018 19231 721 1 2 . 1 1 26 26 THR H H 26 8.140 8.140 7.468 0.672 19231 722 1 2 . 1 1 27 27 ALA N N 27 131.183 131.183 127.986 3.197 19231 723 1 2 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.782 0.308 19231 724 1 2 . 1 1 27 27 ALA C C 27 177.483 177.483 176.852 0.631 19231 725 1 2 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.214 0.220 19231 726 1 2 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.620 -0.706 19231 727 1 2 . 1 1 27 27 ALA H H 27 8.937 8.937 8.664 0.273 19231 728 1 2 . 1 1 28 28 LEU N N 28 124.160 124.160 125.613 -1.453 19231 729 1 2 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.315 0.021 19231 730 1 2 . 1 1 28 28 LEU C C 28 176.114 176.114 176.121 -0.007 19231 731 1 2 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.934 -1.327 19231 732 1 2 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.278 0.044 19231 733 1 2 . 1 1 28 28 LEU H H 28 8.663 8.663 8.088 0.575 19231 734 1 2 . 1 1 29 29 ASP N N 29 124.715 124.715 127.609 -2.894 19231 735 1 2 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.768 -0.058 19231 736 1 2 . 1 1 29 29 ASP C C 29 174.721 174.721 175.290 -0.569 19231 737 1 2 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.649 -0.325 19231 738 1 2 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.203 0.133 19231 739 1 2 . 1 1 29 29 ASP H H 29 8.690 8.690 8.528 0.162 19231 740 1 2 . 1 1 30 30 LEU N N 30 123.472 123.472 121.197 2.275 19231 741 1 2 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.833 -0.002 19231 742 1 2 . 1 1 30 30 LEU C C 30 177.944 177.944 176.665 1.279 19231 743 1 2 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.419 -0.482 19231 744 1 2 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.008 -0.028 19231 745 1 2 . 1 1 30 30 LEU H H 30 7.969 7.969 7.693 0.276 19231 746 1 2 . 1 1 31 31 THR N N 31 115.969 115.969 113.731 2.238 19231 747 1 2 . 1 1 31 31 THR HA H 31 4.700 4.700 4.391 0.309 19231 748 1 2 . 1 1 31 31 THR C C 31 173.645 173.645 175.167 -1.522 19231 749 1 2 . 1 1 31 31 THR CA C 31 60.704 60.704 60.671 0.033 19231 750 1 2 . 1 1 31 31 THR CB C 31 67.869 67.869 68.605 -0.736 19231 751 1 2 . 1 1 31 31 THR H H 31 8.864 8.864 8.326 0.538 19231 752 1 2 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.232 0.048 19231 753 1 2 . 1 1 32 32 PRO C C 32 178.657 178.657 178.762 -0.105 19231 754 1 2 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.680 0.824 19231 755 1 2 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.864 0.115 19231 756 1 2 . 1 1 33 33 LYS N N 33 116.417 116.417 117.411 -0.994 19231 757 1 2 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.012 -0.088 19231 758 1 2 . 1 1 33 33 LYS C C 33 178.084 178.084 178.748 -0.664 19231 759 1 2 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.911 -0.246 19231 760 1 2 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.997 0.575 19231 761 1 2 . 1 1 33 33 LYS H H 33 8.044 8.044 8.422 -0.378 19231 762 1 2 . 1 1 34 34 GLU N N 34 118.272 118.272 119.121 -0.849 19231 763 1 2 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.929 -0.309 19231 764 1 2 . 1 1 34 34 GLU C C 34 178.512 178.512 178.546 -0.034 19231 765 1 2 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.396 0.148 19231 766 1 2 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.460 1.060 19231 767 1 2 . 1 1 34 34 GLU H H 34 7.376 7.376 7.849 -0.473 19231 768 1 2 . 1 1 35 35 TYR N N 35 118.351 118.351 119.180 -0.829 19231 769 1 2 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.122 -0.425 19231 770 1 2 . 1 1 35 35 TYR C C 35 177.597 177.597 176.834 0.763 19231 771 1 2 . 1 1 35 35 TYR CA C 35 62.301 62.301 60.871 1.430 19231 772 1 2 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.080 -0.146 19231 773 1 2 . 1 1 35 35 TYR H H 35 8.950 8.950 7.465 1.485 19231 774 1 2 . 1 1 36 36 ALA N N 36 123.913 123.913 122.097 1.816 19231 775 1 2 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.080 -0.337 19231 776 1 2 . 1 1 36 36 ALA C C 36 180.061 180.061 179.447 0.614 19231 777 1 2 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.099 0.314 19231 778 1 2 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.040 0.022 19231 779 1 2 . 1 1 36 36 ALA H H 36 8.147 8.147 7.934 0.213 19231 780 1 2 . 1 1 37 37 LEU N N 37 116.924 116.924 119.813 -2.889 19231 781 1 2 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.210 -0.300 19231 782 1 2 . 1 1 37 37 LEU C C 37 177.760 177.760 179.092 -1.332 19231 783 1 2 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.875 -0.539 19231 784 1 2 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.280 1.763 19231 785 1 2 . 1 1 37 37 LEU H H 37 7.651 7.651 7.498 0.153 19231 786 1 2 . 1 1 38 38 LEU N N 38 118.232 118.232 120.344 -2.112 19231 787 1 2 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.745 0.125 19231 788 1 2 . 1 1 38 38 LEU C C 38 178.524 178.524 178.040 0.484 19231 789 1 2 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.471 -1.074 19231 790 1 2 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.369 -0.240 19231 791 1 2 . 1 1 38 38 LEU H H 38 8.550 8.550 8.446 0.104 19231 792 1 2 . 1 1 39 39 SER N N 39 113.045 113.045 114.037 -0.992 19231 793 1 2 . 1 1 39 39 SER HA H 39 3.700 3.700 4.073 -0.373 19231 794 1 2 . 1 1 39 39 SER C C 39 175.854 175.854 176.786 -0.932 19231 795 1 2 . 1 1 39 39 SER CA C 39 62.126 62.126 61.941 0.185 19231 796 1 2 . 1 1 39 39 SER CB C 39 68.227 68.227 62.906 5.321 19231 797 1 2 . 1 1 39 39 SER H H 39 8.540 8.540 7.907 0.633 19231 798 1 2 . 1 1 40 40 ARG N N 40 121.521 121.521 120.705 0.816 19231 799 1 2 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.150 -0.140 19231 800 1 2 . 1 1 40 40 ARG C C 40 178.731 178.731 178.796 -0.065 19231 801 1 2 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.383 -0.071 19231 802 1 2 . 1 1 40 40 ARG CB C 40 28.525 28.525 30.036 -1.511 19231 803 1 2 . 1 1 40 40 ARG H H 40 7.112 7.112 7.849 -0.737 19231 804 1 2 . 1 1 41 41 LEU N N 41 115.939 115.939 119.979 -4.040 19231 805 1 2 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.957 0.035 19231 806 1 2 . 1 1 41 41 LEU C C 41 180.049 180.049 179.535 0.514 19231 807 1 2 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.346 -0.510 19231 808 1 2 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.714 0.302 19231 809 1 2 . 1 1 41 41 LEU H H 41 7.960 7.960 8.368 -0.408 19231 810 1 2 . 1 1 42 42 MET N N 42 116.335 116.335 117.912 -1.577 19231 811 1 2 . 1 1 42 42 MET HA H 42 3.877 3.877 4.153 -0.276 19231 812 1 2 . 1 1 42 42 MET C C 42 178.748 178.748 178.228 0.520 19231 813 1 2 . 1 1 42 42 MET CA C 42 59.530 59.530 57.914 1.616 19231 814 1 2 . 1 1 42 42 MET CB C 42 33.449 33.449 31.816 1.633 19231 815 1 2 . 1 1 42 42 MET H H 42 8.825 8.825 8.533 0.292 19231 816 1 2 . 1 1 43 43 MET N N 43 119.000 119.000 120.413 -1.413 19231 817 1 2 . 1 1 43 43 MET HA H 43 4.137 4.137 4.284 -0.147 19231 818 1 2 . 1 1 43 43 MET C C 43 176.813 176.813 176.774 0.039 19231 819 1 2 . 1 1 43 43 MET CA C 43 58.405 58.405 57.407 0.998 19231 820 1 2 . 1 1 43 43 MET CB C 43 32.382 32.382 32.734 -0.352 19231 821 1 2 . 1 1 43 43 MET H H 43 8.250 8.250 7.705 0.545 19231 822 1 2 . 1 1 44 44 LYS N N 44 117.715 117.715 117.491 0.224 19231 823 1 2 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.522 0.109 19231 824 1 2 . 1 1 44 44 LYS C C 44 175.226 175.226 175.003 0.223 19231 825 1 2 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.742 -1.916 19231 826 1 2 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.707 -1.236 19231 827 1 2 . 1 1 44 44 LYS H H 44 7.088 7.088 7.448 -0.360 19231 828 1 2 . 1 1 45 45 ALA N N 45 122.613 122.613 122.083 0.530 19231 829 1 2 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.244 0.075 19231 830 1 2 . 1 1 45 45 ALA C C 45 178.994 178.994 178.476 0.518 19231 831 1 2 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.793 0.881 19231 832 1 2 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.736 0.661 19231 833 1 2 . 1 1 45 45 ALA H H 45 6.952 6.952 7.759 -0.807 19231 834 1 2 . 1 1 46 46 GLY N N 46 109.561 109.561 110.916 -1.355 19231 835 1 2 . 1 1 46 46 GLY C C 46 173.547 173.547 174.503 -0.956 19231 836 1 2 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.121 0.345 19231 837 1 2 . 1 1 46 46 GLY H H 46 8.944 8.944 8.643 0.301 19231 838 1 2 . 1 1 47 47 SER N N 47 116.886 116.886 118.133 -1.247 19231 839 1 2 . 1 1 47 47 SER HA H 47 5.130 5.130 4.901 0.229 19231 840 1 2 . 1 1 47 47 SER C C 47 170.481 170.481 172.406 -1.925 19231 841 1 2 . 1 1 47 47 SER CA C 47 55.988 55.988 54.945 1.043 19231 842 1 2 . 1 1 47 47 SER CB C 47 65.098 65.098 64.905 0.193 19231 843 1 2 . 1 1 47 47 SER H H 47 8.759 8.759 7.805 0.954 19231 844 1 2 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.511 -0.093 19231 845 1 2 . 1 1 48 48 PRO C C 48 175.854 175.854 176.280 -0.426 19231 846 1 2 . 1 1 48 48 PRO CA C 48 62.446 62.446 63.015 -0.569 19231 847 1 2 . 1 1 48 48 PRO CB C 48 32.909 32.909 31.812 1.097 19231 848 1 2 . 1 1 49 49 VAL N N 49 124.173 124.173 124.059 0.114 19231 849 1 2 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.234 0.177 19231 850 1 2 . 1 1 49 49 VAL C C 49 175.186 175.186 175.748 -0.562 19231 851 1 2 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.750 0.709 19231 852 1 2 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.850 -0.354 19231 853 1 2 . 1 1 49 49 VAL H H 49 9.235 9.235 8.638 0.597 19231 854 1 2 . 1 1 50 50 HIS N N 50 128.035 128.035 126.435 1.600 19231 855 1 2 . 1 1 50 50 HIS HA H 50 3.570 3.570 3.897 -0.327 19231 856 1 2 . 1 1 50 50 HIS C C 50 177.130 177.130 176.016 1.114 19231 857 1 2 . 1 1 50 50 HIS CA C 50 58.453 58.453 56.110 2.343 19231 858 1 2 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.127 1.415 19231 859 1 2 . 1 1 50 50 HIS H H 50 8.791 8.791 8.780 0.011 19231 860 1 2 . 1 1 51 51 ARG N N 51 125.631 125.631 128.261 -2.630 19231 861 1 2 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.955 -0.075 19231 862 1 2 . 1 1 51 51 ARG C C 51 176.786 176.786 177.270 -0.484 19231 863 1 2 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.334 0.745 19231 864 1 2 . 1 1 51 51 ARG CB C 51 30.150 30.150 30.346 -0.196 19231 865 1 2 . 1 1 51 51 ARG H H 51 8.544 8.544 8.328 0.216 19231 866 1 2 . 1 1 52 52 GLU N N 52 120.964 120.964 119.519 1.445 19231 867 1 2 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.940 0.140 19231 868 1 2 . 1 1 52 52 GLU C C 52 179.334 179.334 178.615 0.719 19231 869 1 2 . 1 1 52 52 GLU CA C 52 59.769 59.769 59.022 0.747 19231 870 1 2 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.644 0.584 19231 871 1 2 . 1 1 52 52 GLU H H 52 10.831 10.831 7.285 3.546 19231 872 1 2 . 1 1 53 53 ILE N N 53 119.337 119.337 119.221 0.116 19231 873 1 2 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.622 0.249 19231 874 1 2 . 1 1 53 53 ILE C C 53 178.080 178.080 177.763 0.317 19231 875 1 2 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.804 -1.694 19231 876 1 2 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.772 -0.276 19231 877 1 2 . 1 1 53 53 ILE H H 53 7.239 7.239 7.536 -0.297 19231 878 1 2 . 1 1 54 54 LEU N N 54 118.502 118.502 118.397 0.105 19231 879 1 2 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.203 -0.043 19231 880 1 2 . 1 1 54 54 LEU C C 54 178.676 178.676 179.007 -0.331 19231 881 1 2 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.217 -0.143 19231 882 1 2 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.445 -0.122 19231 883 1 2 . 1 1 54 54 LEU H H 54 7.198 7.198 7.329 -0.131 19231 884 1 2 . 1 1 55 55 TYR N N 55 117.114 117.114 119.633 -2.519 19231 885 1 2 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.183 -0.048 19231 886 1 2 . 1 1 55 55 TYR C C 55 177.987 177.987 177.445 0.542 19231 887 1 2 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.036 0.101 19231 888 1 2 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.662 -0.555 19231 889 1 2 . 1 1 55 55 TYR H H 55 8.872 8.872 7.741 1.131 19231 890 1 2 . 1 1 56 56 ASN N N 56 116.720 116.720 115.686 1.034 19231 891 1 2 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.519 -0.034 19231 892 1 2 . 1 1 56 56 ASN C C 56 177.439 177.439 175.026 2.413 19231 893 1 2 . 1 1 56 56 ASN CA C 56 56.013 56.013 56.003 0.010 19231 894 1 2 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.261 0.029 19231 895 1 2 . 1 1 56 56 ASN H H 56 7.796 7.796 7.773 0.023 19231 896 1 2 . 1 1 57 57 ASP N N 57 118.532 118.532 118.956 -0.424 19231 897 1 2 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.363 0.177 19231 898 1 2 . 1 1 57 57 ASP C C 57 177.886 177.886 177.931 -0.045 19231 899 1 2 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.858 0.228 19231 900 1 2 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.825 0.055 19231 901 1 2 . 1 1 57 57 ASP H H 57 7.842 7.842 7.388 0.454 19231 902 1 2 . 1 1 58 58 ILE N N 58 109.975 109.975 117.409 -7.434 19231 903 1 2 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.594 0.706 19231 904 1 2 . 1 1 58 58 ILE C C 58 175.916 175.916 175.504 0.412 19231 905 1 2 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.501 -1.161 19231 906 1 2 . 1 1 58 58 ILE CB C 58 38.830 38.830 37.894 0.936 19231 907 1 2 . 1 1 58 58 ILE H H 58 7.277 7.277 7.295 -0.018 19231 908 1 2 . 1 1 59 59 TYR N N 59 122.761 122.761 116.599 6.162 19231 909 1 2 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.148 0.148 19231 910 1 2 . 1 1 59 59 TYR C C 59 176.037 176.037 174.512 1.525 19231 911 1 2 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.211 2.959 19231 912 1 2 . 1 1 59 59 TYR CB C 59 38.277 38.277 37.735 0.542 19231 913 1 2 . 1 1 59 59 TYR H H 59 7.788 7.788 7.123 0.665 19231 914 1 2 . 1 1 60 60 SER N N 60 117.350 117.350 119.021 -1.671 19231 915 1 2 . 1 1 60 60 SER HA H 60 4.292 4.292 4.296 -0.004 19231 916 1 2 . 1 1 60 60 SER C C 60 174.206 174.206 175.463 -1.257 19231 917 1 2 . 1 1 60 60 SER CA C 60 57.976 57.976 59.756 -1.780 19231 918 1 2 . 1 1 60 60 SER CB C 60 63.884 63.884 63.564 0.320 19231 919 1 2 . 1 1 60 60 SER H H 60 7.721 7.721 7.787 -0.066 19231 920 1 2 . 1 1 61 61 TRP N N 61 122.170 122.170 119.042 3.128 19231 921 1 2 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.896 -0.419 19231 922 1 2 . 1 1 61 61 TRP C C 61 175.798 175.798 174.792 1.006 19231 923 1 2 . 1 1 61 61 TRP CA C 61 57.863 57.863 56.135 1.728 19231 924 1 2 . 1 1 61 61 TRP CB C 61 28.826 28.826 27.991 0.835 19231 925 1 2 . 1 1 61 61 TRP H H 61 7.990 7.990 7.530 0.460 19231 926 1 2 . 1 1 62 62 ASP N N 62 119.118 119.118 120.391 -1.273 19231 927 1 2 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.681 -0.240 19231 928 1 2 . 1 1 62 62 ASP C C 62 175.559 175.559 174.958 0.601 19231 929 1 2 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.164 -1.353 19231 930 1 2 . 1 1 62 62 ASP CB C 62 40.716 40.716 43.541 -2.825 19231 931 1 2 . 1 1 62 62 ASP H H 62 7.900 7.900 7.466 0.434 19231 932 1 2 . 1 1 63 63 ASN N N 63 117.586 117.586 118.585 -0.999 19231 933 1 2 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.399 0.147 19231 934 1 2 . 1 1 63 63 ASN C C 63 174.737 174.737 173.908 0.829 19231 935 1 2 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.218 -1.060 19231 936 1 2 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.178 0.565 19231 937 1 2 . 1 1 63 63 ASN H H 63 8.080 8.080 8.077 0.003 19231 938 1 2 . 1 1 64 64 GLU N N 64 121.831 121.831 122.154 -0.323 19231 939 1 2 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.679 -0.099 19231 940 1 2 . 1 1 64 64 GLU C C 64 174.706 174.706 175.015 -0.309 19231 941 1 2 . 1 1 64 64 GLU CA C 64 54.760 54.760 54.907 -0.147 19231 942 1 2 . 1 1 64 64 GLU CB C 64 29.829 29.829 30.244 -0.415 19231 943 1 2 . 1 1 64 64 GLU H H 64 8.224 8.224 8.544 -0.321 19231 944 1 2 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.158 0.236 19231 945 1 2 . 1 1 65 65 PRO C C 65 177.312 177.312 176.280 1.032 19231 946 1 2 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.908 0.916 19231 947 1 2 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.781 0.090 19231 948 1 2 . 1 1 66 66 ALA N N 66 122.755 122.755 121.235 1.520 19231 949 1 2 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.151 0.199 19231 950 1 2 . 1 1 66 66 ALA C C 66 178.352 178.352 178.493 -0.141 19231 951 1 2 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.210 -0.362 19231 952 1 2 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.812 0.274 19231 953 1 2 . 1 1 66 66 ALA H H 66 8.465 8.465 8.273 0.192 19231 954 1 2 . 1 1 67 67 THR N N 67 111.079 111.079 112.660 -1.581 19231 955 1 2 . 1 1 67 67 THR HA H 67 4.287 4.287 4.061 0.226 19231 956 1 2 . 1 1 67 67 THR C C 67 175.040 175.040 174.356 0.684 19231 957 1 2 . 1 1 67 67 THR CA C 67 62.505 62.505 62.552 -0.047 19231 958 1 2 . 1 1 67 67 THR CB C 67 69.187 69.187 69.442 -0.255 19231 959 1 2 . 1 1 67 67 THR H H 67 8.002 8.002 7.745 0.257 19231 960 1 2 . 1 1 68 68 ASN N N 68 120.768 120.768 117.321 3.447 19231 961 1 2 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.703 0.276 19231 962 1 2 . 1 1 68 68 ASN C C 68 175.250 175.250 174.122 1.128 19231 963 1 2 . 1 1 68 68 ASN CA C 68 53.036 53.036 52.701 0.335 19231 964 1 2 . 1 1 68 68 ASN CB C 68 38.678 38.678 40.530 -1.852 19231 965 1 2 . 1 1 68 68 ASN H H 68 8.280 8.280 8.005 0.275 19231 966 1 2 . 1 1 69 69 THR N N 69 112.288 112.288 110.397 1.891 19231 967 1 2 . 1 1 69 69 THR HA H 69 4.480 4.480 4.069 0.411 19231 968 1 2 . 1 1 69 69 THR C C 69 175.830 175.830 175.689 0.141 19231 969 1 2 . 1 1 69 69 THR CA C 69 62.328 62.328 64.249 -1.921 19231 970 1 2 . 1 1 69 69 THR CB C 69 69.927 69.927 68.023 1.904 19231 971 1 2 . 1 1 69 69 THR H H 69 7.691 7.691 8.468 -0.777 19231 972 1 2 . 1 1 70 70 LEU N N 70 123.384 123.384 118.880 4.504 19231 973 1 2 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.297 -0.217 19231 974 1 2 . 1 1 70 70 LEU C C 70 177.457 177.457 178.512 -1.055 19231 975 1 2 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.272 0.336 19231 976 1 2 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.366 0.128 19231 977 1 2 . 1 1 70 70 LEU H H 70 8.843 8.843 7.815 1.028 19231 978 1 2 . 1 1 71 71 GLU N N 71 116.878 116.878 119.962 -3.084 19231 979 1 2 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.189 -0.484 19231 980 1 2 . 1 1 71 71 GLU C C 71 179.305 179.305 178.703 0.602 19231 981 1 2 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.198 1.973 19231 982 1 2 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.359 -0.531 19231 983 1 2 . 1 1 71 71 GLU H H 71 8.652 8.652 8.690 -0.038 19231 984 1 2 . 1 1 72 72 VAL N N 72 121.419 121.419 119.182 2.237 19231 985 1 2 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.736 -0.051 19231 986 1 2 . 1 1 72 72 VAL C C 72 177.680 177.680 177.640 0.040 19231 987 1 2 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.001 0.110 19231 988 1 2 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.628 -0.161 19231 989 1 2 . 1 1 72 72 VAL H H 72 7.559 7.559 8.042 -0.483 19231 990 1 2 . 1 1 73 73 HIS N N 73 118.272 118.272 120.043 -1.771 19231 991 1 2 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.302 0.158 19231 992 1 2 . 1 1 73 73 HIS C C 73 178.616 178.616 177.507 1.109 19231 993 1 2 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.284 0.922 19231 994 1 2 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.535 1.734 19231 995 1 2 . 1 1 73 73 HIS H H 73 7.420 7.420 8.202 -0.782 19231 996 1 2 . 1 1 74 74 ILE N N 74 118.940 118.940 118.907 0.033 19231 997 1 2 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.425 0.145 19231 998 1 2 . 1 1 74 74 ILE C C 74 177.819 177.819 177.263 0.556 19231 999 1 2 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.549 -3.606 19231 1000 1 2 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.548 -3.273 19231 1001 1 2 . 1 1 74 74 ILE H H 74 8.515 8.515 7.619 0.896 19231 1002 1 2 . 1 1 75 75 HIS N N 75 120.484 120.484 119.546 0.938 19231 1003 1 2 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.182 0.088 19231 1004 1 2 . 1 1 75 75 HIS C C 75 177.445 177.445 177.427 0.018 19231 1005 1 2 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.352 -0.236 19231 1006 1 2 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.727 -0.915 19231 1007 1 2 . 1 1 75 75 HIS H H 75 8.189 8.189 7.959 0.230 19231 1008 1 2 . 1 1 76 76 ASN N N 76 119.098 119.098 117.778 1.320 19231 1009 1 2 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.507 -0.118 19231 1010 1 2 . 1 1 76 76 ASN C C 76 178.615 178.615 177.775 0.840 19231 1011 1 2 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.535 -0.030 19231 1012 1 2 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.617 -1.308 19231 1013 1 2 . 1 1 76 76 ASN H H 76 8.456 8.456 8.068 0.388 19231 1014 1 2 . 1 1 77 77 LEU N N 77 120.517 120.517 120.961 -0.444 19231 1015 1 2 . 1 1 77 77 LEU HA H 77 3.951 3.951 3.960 -0.009 19231 1016 1 2 . 1 1 77 77 LEU C C 77 178.945 178.945 178.703 0.242 19231 1017 1 2 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.563 0.433 19231 1018 1 2 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.406 1.700 19231 1019 1 2 . 1 1 77 77 LEU H H 77 8.579 8.579 8.337 0.242 19231 1020 1 2 . 1 1 78 78 ARG N N 78 119.521 119.521 120.246 -0.725 19231 1021 1 2 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.729 -0.069 19231 1022 1 2 . 1 1 78 78 ARG C C 78 178.766 178.766 178.405 0.361 19231 1023 1 2 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.088 -0.653 19231 1024 1 2 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.095 0.739 19231 1025 1 2 . 1 1 78 78 ARG H H 78 8.687 8.687 8.603 0.084 19231 1026 1 2 . 1 1 79 79 GLU N N 79 116.882 116.882 116.496 0.386 19231 1027 1 2 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.018 -0.089 19231 1028 1 2 . 1 1 79 79 GLU C C 79 178.226 178.226 178.482 -0.256 19231 1029 1 2 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.636 0.030 19231 1030 1 2 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.153 0.398 19231 1031 1 2 . 1 1 79 79 GLU H H 79 7.717 7.717 7.645 0.072 19231 1032 1 2 . 1 1 80 80 LYS N N 80 116.574 116.574 117.902 -1.328 19231 1033 1 2 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.099 0.153 19231 1034 1 2 . 1 1 80 80 LYS C C 80 178.413 178.413 178.372 0.041 19231 1035 1 2 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.574 0.487 19231 1036 1 2 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.995 1.443 19231 1037 1 2 . 1 1 80 80 LYS H H 80 7.419 7.419 7.726 -0.307 19231 1038 1 2 . 1 1 81 81 ILE N N 81 108.393 108.393 111.313 -2.920 19231 1039 1 2 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.013 0.671 19231 1040 1 2 . 1 1 81 81 ILE C C 81 174.986 174.986 176.487 -1.501 19231 1041 1 2 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.822 -0.676 19231 1042 1 2 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.430 0.782 19231 1043 1 2 . 1 1 81 81 ILE H H 81 8.162 8.162 7.550 0.612 19231 1044 1 2 . 1 1 82 82 GLY N N 82 113.636 113.636 109.684 3.952 19231 1045 1 2 . 1 1 82 82 GLY C C 82 175.419 175.419 175.043 0.376 19231 1046 1 2 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.824 0.032 19231 1047 1 2 . 1 1 82 82 GLY H H 82 7.852 7.852 7.918 -0.066 19231 1048 1 2 . 1 1 83 83 LYS N N 83 125.732 125.732 123.077 2.655 19231 1049 1 2 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.849 -0.119 19231 1050 1 2 . 1 1 83 83 LYS C C 83 178.177 178.177 178.271 -0.094 19231 1051 1 2 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.815 1.107 19231 1052 1 2 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.790 0.576 19231 1053 1 2 . 1 1 83 83 LYS H H 83 8.511 8.511 8.170 0.341 19231 1054 1 2 . 1 1 84 84 SER N N 84 110.852 110.852 116.435 -5.583 19231 1055 1 2 . 1 1 84 84 SER HA H 84 4.346 4.346 4.132 0.214 19231 1056 1 2 . 1 1 84 84 SER C C 84 175.008 175.008 175.443 -0.435 19231 1057 1 2 . 1 1 84 84 SER CA C 84 58.935 58.935 61.121 -2.186 19231 1058 1 2 . 1 1 84 84 SER CB C 84 63.140 63.140 62.796 0.344 19231 1059 1 2 . 1 1 84 84 SER H H 84 8.438 8.438 8.295 0.143 19231 1060 1 2 . 1 1 85 85 ARG N N 85 118.561 118.561 116.928 1.633 19231 1061 1 2 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.431 -0.201 19231 1062 1 2 . 1 1 85 85 ARG C C 85 176.208 176.208 175.545 0.663 19231 1063 1 2 . 1 1 85 85 ARG CA C 85 57.156 57.156 54.632 2.524 19231 1064 1 2 . 1 1 85 85 ARG CB C 85 30.388 30.388 29.845 0.543 19231 1065 1 2 . 1 1 85 85 ARG H H 85 7.656 7.656 7.904 -0.248 19231 1066 1 2 . 1 1 86 86 ILE N N 86 113.200 113.200 118.304 -5.104 19231 1067 1 2 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.284 0.611 19231 1068 1 2 . 1 1 86 86 ILE C C 86 175.573 175.573 174.598 0.975 19231 1069 1 2 . 1 1 86 86 ILE CA C 86 59.461 59.461 60.187 -0.726 19231 1070 1 2 . 1 1 86 86 ILE CB C 86 39.188 39.188 42.007 -2.819 19231 1071 1 2 . 1 1 86 86 ILE H H 86 6.880 6.880 7.905 -1.025 19231 1072 1 2 . 1 1 87 87 ARG N N 87 128.727 128.727 123.667 5.060 19231 1073 1 2 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.756 0.041 19231 1074 1 2 . 1 1 87 87 ARG C C 87 176.501 176.501 174.936 1.565 19231 1075 1 2 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.650 -0.986 19231 1076 1 2 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.652 -1.641 19231 1077 1 2 . 1 1 87 87 ARG H H 87 9.786 9.786 8.756 1.030 19231 1078 1 2 . 1 1 88 88 THR N N 88 122.821 122.821 116.528 6.293 19231 1079 1 2 . 1 1 88 88 THR HA H 88 4.138 4.138 4.307 -0.169 19231 1080 1 2 . 1 1 88 88 THR C C 88 173.802 173.802 174.027 -0.225 19231 1081 1 2 . 1 1 88 88 THR CA C 88 63.514 63.514 61.010 2.504 19231 1082 1 2 . 1 1 88 88 THR CB C 88 68.908 68.908 69.826 -0.918 19231 1083 1 2 . 1 1 88 88 THR H H 88 9.421 9.421 8.484 0.937 19231 1084 1 2 . 1 1 89 89 VAL N N 89 130.400 130.400 125.620 4.780 19231 1085 1 2 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.137 0.043 19231 1086 1 2 . 1 1 89 89 VAL CA C 89 61.378 61.378 60.892 0.486 19231 1087 1 2 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.983 -1.097 19231 1088 1 2 . 1 1 89 89 VAL H H 89 8.400 8.400 7.419 0.981 19231 1089 1 2 . 1 1 91 91 GLY C C 91 173.530 173.530 174.564 -1.034 19231 1090 1 2 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.868 -0.343 19231 1091 1 2 . 1 1 92 92 PHE N N 92 119.601 119.601 115.251 4.350 19231 1092 1 2 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.742 -0.301 19231 1093 1 2 . 1 1 92 92 PHE C C 92 174.744 174.744 173.541 1.203 19231 1094 1 2 . 1 1 92 92 PHE CA C 92 60.054 60.054 55.961 4.093 19231 1095 1 2 . 1 1 92 92 PHE CB C 92 43.433 43.433 38.904 4.529 19231 1096 1 2 . 1 1 92 92 PHE H H 92 8.332 8.332 7.841 0.491 19231 1097 1 2 . 1 1 93 93 GLY N N 93 105.445 105.445 107.911 -2.466 19231 1098 1 2 . 1 1 93 93 GLY C C 93 171.776 171.776 171.357 0.419 19231 1099 1 2 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.950 1.765 19231 1100 1 2 . 1 1 93 93 GLY H H 93 8.377 8.377 7.201 1.176 19231 1101 1 2 . 1 1 94 94 TYR N N 94 122.471 122.471 116.331 6.140 19231 1102 1 2 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.808 0.622 19231 1103 1 2 . 1 1 94 94 TYR C C 94 172.889 172.889 173.596 -0.707 19231 1104 1 2 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.668 -0.299 19231 1105 1 2 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.992 0.060 19231 1106 1 2 . 1 1 94 94 TYR H H 94 8.475 8.475 8.009 0.466 19231 1107 1 2 . 1 1 95 95 MET N N 95 118.643 118.643 117.363 1.280 19231 1108 1 2 . 1 1 95 95 MET HA H 95 4.890 4.890 4.827 0.063 19231 1109 1 2 . 1 1 95 95 MET C C 95 173.438 173.438 173.594 -0.156 19231 1110 1 2 . 1 1 95 95 MET CA C 95 54.125 54.125 55.542 -1.417 19231 1111 1 2 . 1 1 95 95 MET CB C 95 39.364 39.364 36.908 2.456 19231 1112 1 2 . 1 1 95 95 MET H H 95 8.936 8.936 8.442 0.494 19231 1113 1 2 . 1 1 96 96 LEU N N 96 130.194 130.194 125.296 4.898 19231 1114 1 2 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.550 0.530 19231 1115 1 2 . 1 1 96 96 LEU C C 96 174.912 174.912 176.279 -1.367 19231 1116 1 2 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.097 -0.615 19231 1117 1 2 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.849 0.907 19231 1118 1 2 . 1 1 96 96 LEU H H 96 9.848 9.848 8.638 1.210 19231 1119 1 2 . 1 1 97 97 ALA N N 97 131.168 131.168 125.980 5.188 19231 1120 1 2 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.287 0.049 19231 1121 1 2 . 1 1 97 97 ALA C C 97 176.560 176.560 177.465 -0.905 19231 1122 1 2 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.417 -0.522 19231 1123 1 2 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.447 0.564 19231 1124 1 2 . 1 1 97 97 ALA H H 97 8.681 8.681 7.993 0.688 19231 1125 1 2 . 1 1 98 98 ASN N N 98 118.268 118.268 121.426 -3.158 19231 1126 1 2 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.437 0.243 19231 1127 1 2 . 1 1 98 98 ASN C C 98 174.939 174.939 174.346 0.593 19231 1128 1 2 . 1 1 98 98 ASN CA C 98 52.429 52.429 55.617 -3.188 19231 1129 1 2 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.873 0.039 19231 1130 1 2 . 1 1 98 98 ASN H H 98 8.654 8.654 8.880 -0.226 19231 1131 1 2 . 1 1 99 99 ASN N N 99 117.488 117.488 113.959 3.529 19231 1132 1 2 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.777 0.023 19231 1133 1 2 . 1 1 99 99 ASN C C 99 174.744 174.744 174.936 -0.192 19231 1134 1 2 . 1 1 99 99 ASN CA C 99 53.048 53.048 52.663 0.385 19231 1135 1 2 . 1 1 99 99 ASN CB C 99 39.039 39.039 39.291 -0.252 19231 1136 1 2 . 1 1 99 99 ASN H H 99 8.131 8.131 8.009 0.122 19231 1137 1 2 . 1 1 100 100 ILE N N 100 118.881 118.881 121.147 -2.266 19231 1138 1 2 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.918 0.322 19231 1139 1 2 . 1 1 100 100 ILE C C 100 175.769 175.769 176.723 -0.954 19231 1140 1 2 . 1 1 100 100 ILE CA C 100 61.004 61.004 61.686 -0.682 19231 1141 1 2 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.045 1.634 19231 1142 1 2 . 1 1 100 100 ILE H H 100 8.139 8.139 8.616 -0.477 19231 1143 1 2 . 1 1 101 101 ASP N N 101 123.516 123.516 121.494 2.022 19231 1144 1 2 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.454 0.266 19231 1145 1 2 . 1 1 101 101 ASP C C 101 176.210 176.210 177.513 -1.303 19231 1146 1 2 . 1 1 101 101 ASP CA C 101 54.513 54.513 56.761 -2.248 19231 1147 1 2 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.624 0.597 19231 1148 1 2 . 1 1 101 101 ASP H H 101 8.426 8.426 8.677 -0.251 19231 1149 1 2 . 1 1 102 102 THR N N 102 113.358 113.358 110.928 2.430 19231 1150 1 2 . 1 1 102 102 THR HA H 102 4.360 4.360 4.135 0.225 19231 1151 1 2 . 1 1 102 102 THR C C 102 173.733 173.733 175.327 -1.594 19231 1152 1 2 . 1 1 102 102 THR CA C 102 61.477 61.477 63.265 -1.788 19231 1153 1 2 . 1 1 102 102 THR CB C 102 69.788 69.788 69.184 0.604 19231 1154 1 2 . 1 1 102 102 THR H H 102 8.045 8.045 7.531 0.514 19231 1155 1 3 . 1 1 2 2 GLN N N 2 121.990 121.990 122.222 -0.232 19231 1156 1 3 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.351 -0.014 19231 1157 1 3 . 1 1 2 2 GLN C C 2 176.320 176.320 176.084 0.236 19231 1158 1 3 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.104 0.191 19231 1159 1 3 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.361 1.909 19231 1160 1 3 . 1 1 2 2 GLN H H 2 8.705 8.705 8.530 0.175 19231 1161 1 3 . 1 1 3 3 GLY N N 3 110.481 110.481 109.554 0.927 19231 1162 1 3 . 1 1 3 3 GLY C C 3 174.116 174.116 173.139 0.977 19231 1163 1 3 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.424 -0.309 19231 1164 1 3 . 1 1 3 3 GLY H H 3 8.540 8.540 8.565 -0.025 19231 1165 1 3 . 1 1 4 4 ASP N N 4 120.750 120.750 117.914 2.836 19231 1166 1 3 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.716 -0.075 19231 1167 1 3 . 1 1 4 4 ASP C C 4 175.974 175.974 173.481 2.493 19231 1168 1 3 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.838 0.618 19231 1169 1 3 . 1 1 4 4 ASP CB C 4 41.190 41.190 42.762 -1.572 19231 1170 1 3 . 1 1 4 4 ASP H H 4 8.251 8.251 7.913 0.338 19231 1171 1 3 . 1 1 5 5 ASN N N 5 118.421 118.421 119.484 -1.063 19231 1172 1 3 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.992 -0.231 19231 1173 1 3 . 1 1 5 5 ASN C C 5 174.017 174.017 173.127 0.890 19231 1174 1 3 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.266 0.088 19231 1175 1 3 . 1 1 5 5 ASN CB C 5 38.936 38.936 41.494 -2.558 19231 1176 1 3 . 1 1 5 5 ASN H H 5 8.513 8.513 8.508 0.005 19231 1177 1 3 . 1 1 6 6 GLU N N 6 120.905 120.905 119.397 1.508 19231 1178 1 3 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.799 0.673 19231 1179 1 3 . 1 1 6 6 GLU C C 6 175.808 175.808 174.169 1.639 19231 1180 1 3 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.670 -0.575 19231 1181 1 3 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.577 -0.564 19231 1182 1 3 . 1 1 6 6 GLU H H 6 8.116 8.116 8.301 -0.185 19231 1183 1 3 . 1 1 7 7 ILE N N 7 122.567 122.567 114.780 7.787 19231 1184 1 3 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.759 -0.225 19231 1185 1 3 . 1 1 7 7 ILE C C 7 174.653 174.653 174.000 0.653 19231 1186 1 3 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.708 0.405 19231 1187 1 3 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.533 -0.192 19231 1188 1 3 . 1 1 7 7 ILE H H 7 8.966 8.966 8.405 0.561 19231 1189 1 3 . 1 1 8 8 SER N N 8 120.446 120.446 117.690 2.756 19231 1190 1 3 . 1 1 8 8 SER HA H 8 5.536 5.536 5.474 0.062 19231 1191 1 3 . 1 1 8 8 SER C C 8 174.082 174.082 173.640 0.442 19231 1192 1 3 . 1 1 8 8 SER CA C 8 57.050 57.050 57.307 -0.257 19231 1193 1 3 . 1 1 8 8 SER CB C 8 65.470 65.470 66.165 -0.695 19231 1194 1 3 . 1 1 8 8 SER H H 8 8.773 8.773 8.422 0.351 19231 1195 1 3 . 1 1 9 9 VAL N N 9 124.896 124.896 123.745 1.151 19231 1196 1 3 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.295 -0.105 19231 1197 1 3 . 1 1 9 9 VAL C C 9 176.141 176.141 176.195 -0.054 19231 1198 1 3 . 1 1 9 9 VAL CA C 9 61.298 61.298 62.017 -0.718 19231 1199 1 3 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.163 1.600 19231 1200 1 3 . 1 1 9 9 VAL H H 9 8.874 8.874 8.937 -0.063 19231 1201 1 3 . 1 1 10 10 GLY N N 10 117.992 117.992 117.908 0.084 19231 1202 1 3 . 1 1 10 10 GLY C C 10 174.785 174.785 174.747 0.038 19231 1203 1 3 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.461 0.869 19231 1204 1 3 . 1 1 10 10 GLY H H 10 9.114 9.114 8.648 0.466 19231 1205 1 3 . 1 1 11 11 ASN N N 11 124.908 124.908 122.556 2.352 19231 1206 1 3 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.981 -0.293 19231 1207 1 3 . 1 1 11 11 ASN C C 11 174.765 174.765 173.917 0.848 19231 1208 1 3 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.395 0.483 19231 1209 1 3 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.346 -2.069 19231 1210 1 3 . 1 1 11 11 ASN H H 11 8.609 8.609 8.558 0.051 19231 1211 1 3 . 1 1 12 12 LEU N N 12 123.550 123.550 122.342 1.208 19231 1212 1 3 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.086 0.329 19231 1213 1 3 . 1 1 12 12 LEU C C 12 175.653 175.653 175.932 -0.279 19231 1214 1 3 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.418 -0.481 19231 1215 1 3 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.938 1.500 19231 1216 1 3 . 1 1 12 12 LEU H H 12 8.256 8.256 7.364 0.892 19231 1217 1 3 . 1 1 13 13 ARG N N 13 124.719 124.719 123.583 1.136 19231 1218 1 3 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.786 0.441 19231 1219 1 3 . 1 1 13 13 ARG C C 13 173.394 173.394 174.868 -1.474 19231 1220 1 3 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.189 -0.172 19231 1221 1 3 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.396 2.111 19231 1222 1 3 . 1 1 13 13 ARG H H 13 9.169 9.169 8.285 0.884 19231 1223 1 3 . 1 1 14 14 LEU N N 14 127.743 127.743 124.773 2.970 19231 1224 1 3 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.818 0.498 19231 1225 1 3 . 1 1 14 14 LEU C C 14 174.807 174.807 175.934 -1.127 19231 1226 1 3 . 1 1 14 14 LEU CA C 14 53.816 53.816 54.215 -0.398 19231 1227 1 3 . 1 1 14 14 LEU CB C 14 45.806 45.806 44.472 1.334 19231 1228 1 3 . 1 1 14 14 LEU H H 14 9.394 9.394 9.241 0.153 19231 1229 1 3 . 1 1 15 15 ASN N N 15 125.577 125.577 122.402 3.175 19231 1230 1 3 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.187 0.220 19231 1231 1 3 . 1 1 15 15 ASN C C 15 175.621 175.621 175.322 0.299 19231 1232 1 3 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.901 -0.857 19231 1233 1 3 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.747 -0.680 19231 1234 1 3 . 1 1 15 15 ASN H H 15 9.520 9.520 8.730 0.790 19231 1235 1 3 . 1 1 16 16 VAL N N 16 123.478 123.478 125.615 -2.137 19231 1236 1 3 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.120 -0.040 19231 1237 1 3 . 1 1 16 16 VAL C C 16 177.902 177.902 177.572 0.330 19231 1238 1 3 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.343 -0.929 19231 1239 1 3 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.472 0.732 19231 1240 1 3 . 1 1 16 16 VAL H H 16 8.759 8.759 8.718 0.041 19231 1241 1 3 . 1 1 17 17 THR N N 17 117.004 117.004 115.186 1.818 19231 1242 1 3 . 1 1 17 17 THR HA H 17 4.340 4.340 4.079 0.261 19231 1243 1 3 . 1 1 17 17 THR C C 17 176.177 176.177 175.887 0.290 19231 1244 1 3 . 1 1 17 17 THR CA C 17 65.922 65.922 64.515 1.407 19231 1245 1 3 . 1 1 17 17 THR CB C 17 68.899 68.899 69.148 -0.249 19231 1246 1 3 . 1 1 17 17 THR H H 17 8.045 8.045 7.697 0.348 19231 1247 1 3 . 1 1 18 18 ARG N N 18 117.565 117.565 118.640 -1.075 19231 1248 1 3 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.330 -0.132 19231 1249 1 3 . 1 1 18 18 ARG C C 18 174.802 174.802 176.063 -1.261 19231 1250 1 3 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.291 0.313 19231 1251 1 3 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.026 1.200 19231 1252 1 3 . 1 1 18 18 ARG H H 18 8.035 8.035 8.412 -0.377 19231 1253 1 3 . 1 1 19 19 ARG N N 19 117.471 117.471 118.181 -0.710 19231 1254 1 3 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.487 0.427 19231 1255 1 3 . 1 1 19 19 ARG C C 19 174.359 174.359 174.245 0.114 19231 1256 1 3 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.220 0.267 19231 1257 1 3 . 1 1 19 19 ARG CB C 19 26.248 26.248 28.041 -1.793 19231 1258 1 3 . 1 1 19 19 ARG H H 19 7.877 7.877 8.005 -0.128 19231 1259 1 3 . 1 1 20 20 LEU N N 20 118.701 118.701 120.512 -1.811 19231 1260 1 3 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.572 -0.042 19231 1261 1 3 . 1 1 20 20 LEU C C 20 174.619 174.619 173.703 0.916 19231 1262 1 3 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.993 -1.139 19231 1263 1 3 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.483 0.764 19231 1264 1 3 . 1 1 20 20 LEU H H 20 7.565 7.565 7.974 -0.409 19231 1265 1 3 . 1 1 21 21 VAL N N 21 120.636 120.636 119.829 0.807 19231 1266 1 3 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.116 0.081 19231 1267 1 3 . 1 1 21 21 VAL C C 21 174.036 174.036 174.515 -0.479 19231 1268 1 3 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.611 -0.740 19231 1269 1 3 . 1 1 21 21 VAL CB C 21 34.448 34.448 35.606 -1.158 19231 1270 1 3 . 1 1 21 21 VAL H H 21 8.466 8.466 7.879 0.587 19231 1271 1 3 . 1 1 22 22 TRP N N 22 126.709 126.709 124.875 1.834 19231 1272 1 3 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.430 -0.300 19231 1273 1 3 . 1 1 22 22 TRP C C 22 174.877 174.877 174.703 0.174 19231 1274 1 3 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.226 0.841 19231 1275 1 3 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.432 -0.295 19231 1276 1 3 . 1 1 22 22 TRP H H 22 9.596 9.596 9.125 0.471 19231 1277 1 3 . 1 1 23 23 LEU N N 23 123.443 123.443 123.097 0.346 19231 1278 1 3 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.742 0.292 19231 1279 1 3 . 1 1 23 23 LEU C C 23 177.552 177.552 176.597 0.955 19231 1280 1 3 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.774 -0.347 19231 1281 1 3 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.589 0.333 19231 1282 1 3 . 1 1 23 23 LEU H H 23 8.834 8.834 9.296 -0.462 19231 1283 1 3 . 1 1 24 24 GLY N N 24 117.546 117.546 117.186 0.360 19231 1284 1 3 . 1 1 24 24 GLY C C 24 174.915 174.915 174.986 -0.071 19231 1285 1 3 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.523 1.698 19231 1286 1 3 . 1 1 24 24 GLY H H 24 9.401 9.401 8.546 0.855 19231 1287 1 3 . 1 1 25 25 GLU N N 25 124.565 124.565 112.130 12.435 19231 1288 1 3 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.809 0.519 19231 1289 1 3 . 1 1 25 25 GLU C C 25 176.350 176.350 175.624 0.726 19231 1290 1 3 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.391 -1.991 19231 1291 1 3 . 1 1 25 25 GLU CB C 25 29.811 29.811 28.399 1.412 19231 1292 1 3 . 1 1 25 25 GLU H H 25 9.051 9.051 8.442 0.609 19231 1293 1 3 . 1 1 26 26 THR N N 26 117.538 117.538 111.182 6.356 19231 1294 1 3 . 1 1 26 26 THR HA H 26 4.305 4.305 4.665 -0.360 19231 1295 1 3 . 1 1 26 26 THR C C 26 173.226 173.226 173.900 -0.674 19231 1296 1 3 . 1 1 26 26 THR CA C 26 62.118 62.118 60.605 1.513 19231 1297 1 3 . 1 1 26 26 THR CB C 26 70.399 70.399 70.923 -0.524 19231 1298 1 3 . 1 1 26 26 THR H H 26 8.140 8.140 7.385 0.755 19231 1299 1 3 . 1 1 27 27 ALA N N 27 131.183 131.183 127.788 3.395 19231 1300 1 3 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.678 0.412 19231 1301 1 3 . 1 1 27 27 ALA C C 27 177.483 177.483 176.564 0.919 19231 1302 1 3 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.257 0.177 19231 1303 1 3 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.884 -0.969 19231 1304 1 3 . 1 1 27 27 ALA H H 27 8.937 8.937 8.754 0.183 19231 1305 1 3 . 1 1 28 28 LEU N N 28 124.160 124.160 125.344 -1.184 19231 1306 1 3 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.386 -0.050 19231 1307 1 3 . 1 1 28 28 LEU C C 28 176.114 176.114 175.708 0.406 19231 1308 1 3 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.615 -1.010 19231 1309 1 3 . 1 1 28 28 LEU CB C 28 43.322 43.322 44.126 -0.804 19231 1310 1 3 . 1 1 28 28 LEU H H 28 8.663 8.663 8.398 0.265 19231 1311 1 3 . 1 1 29 29 ASP N N 29 124.715 124.715 126.140 -1.425 19231 1312 1 3 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.923 -0.213 19231 1313 1 3 . 1 1 29 29 ASP C C 29 174.721 174.721 175.057 -0.336 19231 1314 1 3 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.002 0.322 19231 1315 1 3 . 1 1 29 29 ASP CB C 29 40.336 40.336 41.663 -1.327 19231 1316 1 3 . 1 1 29 29 ASP H H 29 8.690 8.690 8.463 0.227 19231 1317 1 3 . 1 1 30 30 LEU N N 30 123.472 123.472 121.643 1.829 19231 1318 1 3 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.876 -0.045 19231 1319 1 3 . 1 1 30 30 LEU C C 30 177.944 177.944 175.830 2.114 19231 1320 1 3 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.003 -0.066 19231 1321 1 3 . 1 1 30 30 LEU CB C 30 43.980 43.980 45.071 -1.091 19231 1322 1 3 . 1 1 30 30 LEU H H 30 7.969 7.969 7.905 0.064 19231 1323 1 3 . 1 1 31 31 THR N N 31 115.969 115.969 110.312 5.657 19231 1324 1 3 . 1 1 31 31 THR HA H 31 4.700 4.700 4.585 0.115 19231 1325 1 3 . 1 1 31 31 THR C C 31 173.645 173.645 174.476 -0.831 19231 1326 1 3 . 1 1 31 31 THR CA C 31 60.704 60.704 60.353 0.351 19231 1327 1 3 . 1 1 31 31 THR CB C 31 67.869 67.869 69.217 -1.348 19231 1328 1 3 . 1 1 31 31 THR H H 31 8.864 8.864 8.232 0.632 19231 1329 1 3 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.055 0.225 19231 1330 1 3 . 1 1 32 32 PRO C C 32 178.657 178.657 178.527 0.130 19231 1331 1 3 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.695 0.809 19231 1332 1 3 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.765 0.214 19231 1333 1 3 . 1 1 33 33 LYS N N 33 116.417 116.417 116.833 -0.416 19231 1334 1 3 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.966 -0.042 19231 1335 1 3 . 1 1 33 33 LYS C C 33 178.084 178.084 178.878 -0.794 19231 1336 1 3 . 1 1 33 33 LYS CA C 33 59.665 59.665 60.000 -0.335 19231 1337 1 3 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.901 0.671 19231 1338 1 3 . 1 1 33 33 LYS H H 33 8.044 8.044 8.213 -0.169 19231 1339 1 3 . 1 1 34 34 GLU N N 34 118.272 118.272 118.100 0.172 19231 1340 1 3 . 1 1 34 34 GLU HA H 34 3.620 3.620 4.047 -0.427 19231 1341 1 3 . 1 1 34 34 GLU C C 34 178.512 178.512 178.891 -0.379 19231 1342 1 3 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.924 0.620 19231 1343 1 3 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.278 1.243 19231 1344 1 3 . 1 1 34 34 GLU H H 34 7.376 7.376 7.875 -0.499 19231 1345 1 3 . 1 1 35 35 TYR N N 35 118.351 118.351 119.214 -0.863 19231 1346 1 3 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.154 -0.457 19231 1347 1 3 . 1 1 35 35 TYR C C 35 177.597 177.597 177.031 0.566 19231 1348 1 3 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.509 0.792 19231 1349 1 3 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.240 -0.306 19231 1350 1 3 . 1 1 35 35 TYR H H 35 8.950 8.950 7.649 1.300 19231 1351 1 3 . 1 1 36 36 ALA N N 36 123.913 123.913 122.781 1.132 19231 1352 1 3 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.153 -0.410 19231 1353 1 3 . 1 1 36 36 ALA C C 36 180.061 180.061 179.186 0.875 19231 1354 1 3 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.621 0.791 19231 1355 1 3 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.499 -0.437 19231 1356 1 3 . 1 1 36 36 ALA H H 36 8.147 8.147 7.621 0.526 19231 1357 1 3 . 1 1 37 37 LEU N N 37 116.924 116.924 119.234 -2.310 19231 1358 1 3 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.250 -0.340 19231 1359 1 3 . 1 1 37 37 LEU C C 37 177.760 177.760 179.287 -1.527 19231 1360 1 3 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.566 -0.231 19231 1361 1 3 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.413 1.630 19231 1362 1 3 . 1 1 37 37 LEU H H 37 7.651 7.651 7.883 -0.232 19231 1363 1 3 . 1 1 38 38 LEU N N 38 118.232 118.232 120.340 -2.108 19231 1364 1 3 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.883 -0.013 19231 1365 1 3 . 1 1 38 38 LEU C C 38 178.524 178.524 178.083 0.441 19231 1366 1 3 . 1 1 38 38 LEU CA C 38 57.397 57.397 57.801 -0.404 19231 1367 1 3 . 1 1 38 38 LEU CB C 38 41.129 41.129 40.997 0.132 19231 1368 1 3 . 1 1 38 38 LEU H H 38 8.550 8.550 8.143 0.407 19231 1369 1 3 . 1 1 39 39 SER N N 39 113.045 113.045 115.407 -2.362 19231 1370 1 3 . 1 1 39 39 SER HA H 39 3.700 3.700 4.060 -0.360 19231 1371 1 3 . 1 1 39 39 SER C C 39 175.854 175.854 176.883 -1.029 19231 1372 1 3 . 1 1 39 39 SER CA C 39 62.126 62.126 61.542 0.584 19231 1373 1 3 . 1 1 39 39 SER CB C 39 68.227 68.227 62.765 5.462 19231 1374 1 3 . 1 1 39 39 SER H H 39 8.540 8.540 7.894 0.646 19231 1375 1 3 . 1 1 40 40 ARG N N 40 121.521 121.521 120.871 0.650 19231 1376 1 3 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.248 -0.238 19231 1377 1 3 . 1 1 40 40 ARG C C 40 178.731 178.731 178.634 0.097 19231 1378 1 3 . 1 1 40 40 ARG CA C 40 58.311 58.311 57.976 0.335 19231 1379 1 3 . 1 1 40 40 ARG CB C 40 28.525 28.525 30.135 -1.610 19231 1380 1 3 . 1 1 40 40 ARG H H 40 7.112 7.112 7.400 -0.288 19231 1381 1 3 . 1 1 41 41 LEU N N 41 115.939 115.939 121.794 -5.855 19231 1382 1 3 . 1 1 41 41 LEU HA H 41 3.992 3.992 4.102 -0.110 19231 1383 1 3 . 1 1 41 41 LEU C C 41 180.049 180.049 178.095 1.954 19231 1384 1 3 . 1 1 41 41 LEU CA C 41 57.836 57.836 57.592 0.244 19231 1385 1 3 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.803 0.213 19231 1386 1 3 . 1 1 41 41 LEU H H 41 7.960 7.960 8.127 -0.167 19231 1387 1 3 . 1 1 42 42 MET N N 42 116.335 116.335 115.473 0.862 19231 1388 1 3 . 1 1 42 42 MET HA H 42 3.877 3.877 4.008 -0.131 19231 1389 1 3 . 1 1 42 42 MET C C 42 178.748 178.748 178.402 0.346 19231 1390 1 3 . 1 1 42 42 MET CA C 42 59.530 59.530 58.627 0.903 19231 1391 1 3 . 1 1 42 42 MET CB C 42 33.449 33.449 32.521 0.928 19231 1392 1 3 . 1 1 42 42 MET H H 42 8.825 8.825 8.467 0.358 19231 1393 1 3 . 1 1 43 43 MET N N 43 119.000 119.000 120.571 -1.571 19231 1394 1 3 . 1 1 43 43 MET HA H 43 4.137 4.137 4.244 -0.107 19231 1395 1 3 . 1 1 43 43 MET C C 43 176.813 176.813 176.860 -0.047 19231 1396 1 3 . 1 1 43 43 MET CA C 43 58.405 58.405 57.823 0.582 19231 1397 1 3 . 1 1 43 43 MET CB C 43 32.382 32.382 32.391 -0.009 19231 1398 1 3 . 1 1 43 43 MET H H 43 8.250 8.250 7.628 0.622 19231 1399 1 3 . 1 1 44 44 LYS N N 44 117.715 117.715 117.115 0.600 19231 1400 1 3 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.569 0.062 19231 1401 1 3 . 1 1 44 44 LYS C C 44 175.226 175.226 175.103 0.123 19231 1402 1 3 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.824 -1.998 19231 1403 1 3 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.309 -0.838 19231 1404 1 3 . 1 1 44 44 LYS H H 44 7.088 7.088 7.410 -0.322 19231 1405 1 3 . 1 1 45 45 ALA N N 45 122.613 122.613 121.935 0.678 19231 1406 1 3 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.373 -0.054 19231 1407 1 3 . 1 1 45 45 ALA C C 45 178.994 178.994 178.393 0.601 19231 1408 1 3 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.432 1.242 19231 1409 1 3 . 1 1 45 45 ALA CB C 45 19.397 19.397 19.140 0.257 19231 1410 1 3 . 1 1 45 45 ALA H H 45 6.952 6.952 7.866 -0.914 19231 1411 1 3 . 1 1 46 46 GLY N N 46 109.561 109.561 111.393 -1.832 19231 1412 1 3 . 1 1 46 46 GLY C C 46 173.547 173.547 174.468 -0.921 19231 1413 1 3 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.147 0.319 19231 1414 1 3 . 1 1 46 46 GLY H H 46 8.944 8.944 8.695 0.249 19231 1415 1 3 . 1 1 47 47 SER N N 47 116.886 116.886 116.757 0.129 19231 1416 1 3 . 1 1 47 47 SER HA H 47 5.130 5.130 4.880 0.250 19231 1417 1 3 . 1 1 47 47 SER C C 47 170.481 170.481 172.150 -1.669 19231 1418 1 3 . 1 1 47 47 SER CA C 47 55.988 55.988 55.379 0.609 19231 1419 1 3 . 1 1 47 47 SER CB C 47 65.098 65.098 65.024 0.074 19231 1420 1 3 . 1 1 47 47 SER H H 47 8.759 8.759 7.599 1.160 19231 1421 1 3 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.778 -0.360 19231 1422 1 3 . 1 1 48 48 PRO C C 48 175.854 175.854 176.197 -0.343 19231 1423 1 3 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.656 -0.210 19231 1424 1 3 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.005 0.904 19231 1425 1 3 . 1 1 49 49 VAL N N 49 124.173 124.173 124.155 0.018 19231 1426 1 3 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.327 0.084 19231 1427 1 3 . 1 1 49 49 VAL C C 49 175.186 175.186 175.386 -0.200 19231 1428 1 3 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.011 0.448 19231 1429 1 3 . 1 1 49 49 VAL CB C 49 33.496 33.496 34.144 -0.648 19231 1430 1 3 . 1 1 49 49 VAL H H 49 9.235 9.235 8.898 0.337 19231 1431 1 3 . 1 1 50 50 HIS N N 50 128.035 128.035 125.390 2.645 19231 1432 1 3 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.266 -0.697 19231 1433 1 3 . 1 1 50 50 HIS C C 50 177.130 177.130 175.837 1.293 19231 1434 1 3 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.323 3.130 19231 1435 1 3 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.747 0.795 19231 1436 1 3 . 1 1 50 50 HIS H H 50 8.791 8.791 8.858 -0.067 19231 1437 1 3 . 1 1 51 51 ARG N N 51 125.631 125.631 125.962 -0.331 19231 1438 1 3 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.921 -0.041 19231 1439 1 3 . 1 1 51 51 ARG C C 51 176.786 176.786 177.309 -0.523 19231 1440 1 3 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.098 0.981 19231 1441 1 3 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.861 0.289 19231 1442 1 3 . 1 1 51 51 ARG H H 51 8.544 8.544 8.757 -0.213 19231 1443 1 3 . 1 1 52 52 GLU N N 52 120.964 120.964 120.414 0.550 19231 1444 1 3 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.890 0.190 19231 1445 1 3 . 1 1 52 52 GLU C C 52 179.334 179.334 178.557 0.777 19231 1446 1 3 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.943 0.827 19231 1447 1 3 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.723 0.505 19231 1448 1 3 . 1 1 52 52 GLU H H 52 10.831 10.831 7.403 3.428 19231 1449 1 3 . 1 1 53 53 ILE N N 53 119.337 119.337 118.946 0.391 19231 1450 1 3 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.727 0.144 19231 1451 1 3 . 1 1 53 53 ILE C C 53 178.080 178.080 178.264 -0.184 19231 1452 1 3 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.283 -1.173 19231 1453 1 3 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.735 -0.239 19231 1454 1 3 . 1 1 53 53 ILE H H 53 7.239 7.239 7.453 -0.214 19231 1455 1 3 . 1 1 54 54 LEU N N 54 118.502 118.502 119.677 -1.175 19231 1456 1 3 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.228 -0.068 19231 1457 1 3 . 1 1 54 54 LEU C C 54 178.676 178.676 179.791 -1.115 19231 1458 1 3 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.377 -0.303 19231 1459 1 3 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.569 -0.246 19231 1460 1 3 . 1 1 54 54 LEU H H 54 7.198 7.198 7.249 -0.051 19231 1461 1 3 . 1 1 55 55 TYR N N 55 117.114 117.114 120.637 -3.523 19231 1462 1 3 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.041 0.094 19231 1463 1 3 . 1 1 55 55 TYR C C 55 177.987 177.987 177.302 0.685 19231 1464 1 3 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.585 -0.448 19231 1465 1 3 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.079 0.028 19231 1466 1 3 . 1 1 55 55 TYR H H 55 8.872 8.872 8.400 0.472 19231 1467 1 3 . 1 1 56 56 ASN N N 56 116.720 116.720 117.130 -0.410 19231 1468 1 3 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.521 -0.036 19231 1469 1 3 . 1 1 56 56 ASN C C 56 177.439 177.439 176.375 1.064 19231 1470 1 3 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.468 0.545 19231 1471 1 3 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.052 0.238 19231 1472 1 3 . 1 1 56 56 ASN H H 56 7.796 7.796 7.772 0.024 19231 1473 1 3 . 1 1 57 57 ASP N N 57 118.532 118.532 120.452 -1.920 19231 1474 1 3 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.369 0.171 19231 1475 1 3 . 1 1 57 57 ASP C C 57 177.886 177.886 177.620 0.266 19231 1476 1 3 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.700 0.386 19231 1477 1 3 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.649 0.231 19231 1478 1 3 . 1 1 57 57 ASP H H 57 7.842 7.842 8.391 -0.549 19231 1479 1 3 . 1 1 58 58 ILE N N 58 109.975 109.975 117.007 -7.032 19231 1480 1 3 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.892 0.408 19231 1481 1 3 . 1 1 58 58 ILE C C 58 175.916 175.916 176.090 -0.174 19231 1482 1 3 . 1 1 58 58 ILE CA C 58 61.340 61.340 61.285 0.055 19231 1483 1 3 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.098 0.732 19231 1484 1 3 . 1 1 58 58 ILE H H 58 7.277 7.277 7.473 -0.196 19231 1485 1 3 . 1 1 59 59 TYR N N 59 122.761 122.761 117.884 4.877 19231 1486 1 3 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.419 -0.123 19231 1487 1 3 . 1 1 59 59 TYR C C 59 176.037 176.037 175.755 0.282 19231 1488 1 3 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.329 1.841 19231 1489 1 3 . 1 1 59 59 TYR CB C 59 38.277 38.277 40.065 -1.788 19231 1490 1 3 . 1 1 59 59 TYR H H 59 7.788 7.788 7.584 0.204 19231 1491 1 3 . 1 1 60 60 SER N N 60 117.350 117.350 115.035 2.315 19231 1492 1 3 . 1 1 60 60 SER HA H 60 4.292 4.292 4.550 -0.258 19231 1493 1 3 . 1 1 60 60 SER C C 60 174.206 174.206 173.405 0.801 19231 1494 1 3 . 1 1 60 60 SER CA C 60 57.976 57.976 58.919 -0.943 19231 1495 1 3 . 1 1 60 60 SER CB C 60 63.884 63.884 63.529 0.354 19231 1496 1 3 . 1 1 60 60 SER H H 60 7.721 7.721 8.602 -0.881 19231 1497 1 3 . 1 1 61 61 TRP N N 61 122.170 122.170 120.863 1.307 19231 1498 1 3 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.812 -0.335 19231 1499 1 3 . 1 1 61 61 TRP C C 61 175.798 175.798 175.518 0.280 19231 1500 1 3 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.120 0.743 19231 1501 1 3 . 1 1 61 61 TRP CB C 61 28.826 28.826 28.392 0.434 19231 1502 1 3 . 1 1 61 61 TRP H H 61 7.990 7.990 7.696 0.294 19231 1503 1 3 . 1 1 62 62 ASP N N 62 119.118 119.118 121.563 -2.445 19231 1504 1 3 . 1 1 62 62 ASP HA H 62 4.440 4.440 3.973 0.467 19231 1505 1 3 . 1 1 62 62 ASP C C 62 175.559 175.559 175.682 -0.123 19231 1506 1 3 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.234 -1.423 19231 1507 1 3 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.543 0.173 19231 1508 1 3 . 1 1 62 62 ASP H H 62 7.900 7.900 7.754 0.146 19231 1509 1 3 . 1 1 63 63 ASN N N 63 117.586 117.586 117.316 0.270 19231 1510 1 3 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.744 -0.198 19231 1511 1 3 . 1 1 63 63 ASN C C 63 174.737 174.737 173.919 0.818 19231 1512 1 3 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.452 -0.294 19231 1513 1 3 . 1 1 63 63 ASN CB C 63 38.743 38.743 39.549 -0.806 19231 1514 1 3 . 1 1 63 63 ASN H H 63 8.080 8.080 8.319 -0.239 19231 1515 1 3 . 1 1 64 64 GLU N N 64 121.831 121.831 120.593 1.238 19231 1516 1 3 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.581 -0.001 19231 1517 1 3 . 1 1 64 64 GLU C C 64 174.706 174.706 174.144 0.562 19231 1518 1 3 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.492 -0.732 19231 1519 1 3 . 1 1 64 64 GLU CB C 64 29.829 29.829 30.346 -0.517 19231 1520 1 3 . 1 1 64 64 GLU H H 64 8.224 8.224 8.344 -0.120 19231 1521 1 3 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.515 -0.121 19231 1522 1 3 . 1 1 65 65 PRO C C 65 177.312 177.312 176.342 0.970 19231 1523 1 3 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.501 1.323 19231 1524 1 3 . 1 1 65 65 PRO CB C 65 31.871 31.871 30.648 1.223 19231 1525 1 3 . 1 1 66 66 ALA N N 66 122.755 122.755 125.107 -2.352 19231 1526 1 3 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.012 0.338 19231 1527 1 3 . 1 1 66 66 ALA C C 66 178.352 178.352 177.650 0.702 19231 1528 1 3 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.036 -0.188 19231 1529 1 3 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.816 0.270 19231 1530 1 3 . 1 1 66 66 ALA H H 66 8.465 8.465 7.673 0.792 19231 1531 1 3 . 1 1 67 67 THR N N 67 111.079 111.079 113.221 -2.142 19231 1532 1 3 . 1 1 67 67 THR HA H 67 4.287 4.287 4.051 0.236 19231 1533 1 3 . 1 1 67 67 THR C C 67 175.040 175.040 174.416 0.624 19231 1534 1 3 . 1 1 67 67 THR CA C 67 62.505 62.505 62.261 0.243 19231 1535 1 3 . 1 1 67 67 THR CB C 67 69.187 69.187 69.866 -0.679 19231 1536 1 3 . 1 1 67 67 THR H H 67 8.002 8.002 7.333 0.669 19231 1537 1 3 . 1 1 68 68 ASN N N 68 120.768 120.768 121.888 -1.120 19231 1538 1 3 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.421 0.558 19231 1539 1 3 . 1 1 68 68 ASN C C 68 175.250 175.250 174.387 0.863 19231 1540 1 3 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.439 -1.403 19231 1541 1 3 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.275 0.403 19231 1542 1 3 . 1 1 68 68 ASN H H 68 8.280 8.280 8.587 -0.307 19231 1543 1 3 . 1 1 69 69 THR N N 69 112.288 112.288 119.294 -7.006 19231 1544 1 3 . 1 1 69 69 THR HA H 69 4.480 4.480 4.108 0.372 19231 1545 1 3 . 1 1 69 69 THR C C 69 175.830 175.830 175.034 0.796 19231 1546 1 3 . 1 1 69 69 THR CA C 69 62.328 62.328 63.312 -0.984 19231 1547 1 3 . 1 1 69 69 THR CB C 69 69.927 69.927 69.328 0.599 19231 1548 1 3 . 1 1 69 69 THR H H 69 7.691 7.691 8.020 -0.329 19231 1549 1 3 . 1 1 70 70 LEU N N 70 123.384 123.384 121.721 1.663 19231 1550 1 3 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.244 -0.164 19231 1551 1 3 . 1 1 70 70 LEU C C 70 177.457 177.457 178.225 -0.768 19231 1552 1 3 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.564 0.044 19231 1553 1 3 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.223 0.271 19231 1554 1 3 . 1 1 70 70 LEU H H 70 8.843 8.843 8.337 0.506 19231 1555 1 3 . 1 1 71 71 GLU N N 71 116.878 116.878 118.930 -2.052 19231 1556 1 3 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.062 -0.357 19231 1557 1 3 . 1 1 71 71 GLU C C 71 179.305 179.305 178.310 0.995 19231 1558 1 3 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.031 2.140 19231 1559 1 3 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.079 -0.251 19231 1560 1 3 . 1 1 71 71 GLU H H 71 8.652 8.652 8.425 0.227 19231 1561 1 3 . 1 1 72 72 VAL N N 72 121.419 121.419 120.171 1.248 19231 1562 1 3 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.696 -0.011 19231 1563 1 3 . 1 1 72 72 VAL C C 72 177.680 177.680 177.940 -0.260 19231 1564 1 3 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.325 -0.214 19231 1565 1 3 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.433 0.034 19231 1566 1 3 . 1 1 72 72 VAL H H 72 7.559 7.559 7.482 0.077 19231 1567 1 3 . 1 1 73 73 HIS N N 73 118.272 118.272 119.261 -0.989 19231 1568 1 3 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.305 0.155 19231 1569 1 3 . 1 1 73 73 HIS C C 73 178.616 178.616 178.344 0.272 19231 1570 1 3 . 1 1 73 73 HIS CA C 73 60.206 60.206 58.852 1.354 19231 1571 1 3 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.067 2.203 19231 1572 1 3 . 1 1 73 73 HIS H H 73 7.420 7.420 7.832 -0.412 19231 1573 1 3 . 1 1 74 74 ILE N N 74 118.940 118.940 119.262 -0.322 19231 1574 1 3 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.809 -0.239 19231 1575 1 3 . 1 1 74 74 ILE C C 74 177.819 177.819 177.997 -0.178 19231 1576 1 3 . 1 1 74 74 ILE CA C 74 61.943 61.943 64.478 -2.535 19231 1577 1 3 . 1 1 74 74 ILE CB C 74 34.275 34.275 36.876 -2.601 19231 1578 1 3 . 1 1 74 74 ILE H H 74 8.515 8.515 7.846 0.669 19231 1579 1 3 . 1 1 75 75 HIS N N 75 120.484 120.484 119.940 0.544 19231 1580 1 3 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.184 0.086 19231 1581 1 3 . 1 1 75 75 HIS C C 75 177.445 177.445 177.388 0.057 19231 1582 1 3 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.423 -0.307 19231 1583 1 3 . 1 1 75 75 HIS CB C 75 28.812 28.812 30.202 -1.390 19231 1584 1 3 . 1 1 75 75 HIS H H 75 8.189 8.189 7.926 0.263 19231 1585 1 3 . 1 1 76 76 ASN N N 76 119.098 119.098 118.196 0.902 19231 1586 1 3 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.641 -0.252 19231 1587 1 3 . 1 1 76 76 ASN C C 76 178.615 178.615 177.666 0.949 19231 1588 1 3 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.676 -0.171 19231 1589 1 3 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.633 -1.323 19231 1590 1 3 . 1 1 76 76 ASN H H 76 8.456 8.456 8.163 0.293 19231 1591 1 3 . 1 1 77 77 LEU N N 77 120.517 120.517 120.793 -0.276 19231 1592 1 3 . 1 1 77 77 LEU HA H 77 3.951 3.951 3.987 -0.036 19231 1593 1 3 . 1 1 77 77 LEU C C 77 178.945 178.945 178.714 0.231 19231 1594 1 3 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.899 0.097 19231 1595 1 3 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.654 1.452 19231 1596 1 3 . 1 1 77 77 LEU H H 77 8.579 8.579 8.232 0.347 19231 1597 1 3 . 1 1 78 78 ARG N N 78 119.521 119.521 119.331 0.190 19231 1598 1 3 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.829 -0.169 19231 1599 1 3 . 1 1 78 78 ARG C C 78 178.766 178.766 178.771 -0.005 19231 1600 1 3 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.252 -0.817 19231 1601 1 3 . 1 1 78 78 ARG CB C 78 30.834 30.834 29.902 0.932 19231 1602 1 3 . 1 1 78 78 ARG H H 78 8.687 8.687 8.392 0.295 19231 1603 1 3 . 1 1 79 79 GLU N N 79 116.882 116.882 117.401 -0.519 19231 1604 1 3 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.075 -0.146 19231 1605 1 3 . 1 1 79 79 GLU C C 79 178.226 178.226 178.395 -0.169 19231 1606 1 3 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.734 -0.068 19231 1607 1 3 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.228 0.323 19231 1608 1 3 . 1 1 79 79 GLU H H 79 7.717 7.717 7.741 -0.024 19231 1609 1 3 . 1 1 80 80 LYS N N 80 116.574 116.574 117.703 -1.129 19231 1610 1 3 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.141 0.111 19231 1611 1 3 . 1 1 80 80 LYS C C 80 178.413 178.413 178.337 0.076 19231 1612 1 3 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.621 0.440 19231 1613 1 3 . 1 1 80 80 LYS CB C 80 34.438 34.438 33.136 1.302 19231 1614 1 3 . 1 1 80 80 LYS H H 80 7.419 7.419 7.872 -0.453 19231 1615 1 3 . 1 1 81 81 ILE N N 81 108.393 108.393 111.486 -3.093 19231 1616 1 3 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.146 0.538 19231 1617 1 3 . 1 1 81 81 ILE C C 81 174.986 174.986 176.550 -1.564 19231 1618 1 3 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.788 -0.642 19231 1619 1 3 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.795 0.417 19231 1620 1 3 . 1 1 81 81 ILE H H 81 8.162 8.162 7.584 0.578 19231 1621 1 3 . 1 1 82 82 GLY N N 82 113.636 113.636 109.850 3.786 19231 1622 1 3 . 1 1 82 82 GLY C C 82 175.419 175.419 174.706 0.713 19231 1623 1 3 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.755 0.101 19231 1624 1 3 . 1 1 82 82 GLY H H 82 7.852 7.852 8.262 -0.410 19231 1625 1 3 . 1 1 83 83 LYS N N 83 125.732 125.732 122.357 3.375 19231 1626 1 3 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.865 -0.135 19231 1627 1 3 . 1 1 83 83 LYS C C 83 178.177 178.177 178.090 0.087 19231 1628 1 3 . 1 1 83 83 LYS CA C 83 59.922 59.922 59.127 0.795 19231 1629 1 3 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.917 0.449 19231 1630 1 3 . 1 1 83 83 LYS H H 83 8.511 8.511 7.708 0.803 19231 1631 1 3 . 1 1 84 84 SER N N 84 110.852 110.852 115.900 -5.048 19231 1632 1 3 . 1 1 84 84 SER HA H 84 4.346 4.346 4.092 0.254 19231 1633 1 3 . 1 1 84 84 SER C C 84 175.008 175.008 175.766 -0.758 19231 1634 1 3 . 1 1 84 84 SER CA C 84 58.935 58.935 61.643 -2.708 19231 1635 1 3 . 1 1 84 84 SER CB C 84 63.140 63.140 62.757 0.383 19231 1636 1 3 . 1 1 84 84 SER H H 84 8.438 8.438 8.401 0.037 19231 1637 1 3 . 1 1 85 85 ARG N N 85 118.561 118.561 117.602 0.959 19231 1638 1 3 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.193 0.037 19231 1639 1 3 . 1 1 85 85 ARG C C 85 176.208 176.208 175.662 0.546 19231 1640 1 3 . 1 1 85 85 ARG CA C 85 57.156 57.156 56.811 0.345 19231 1641 1 3 . 1 1 85 85 ARG CB C 85 30.388 30.388 29.592 0.796 19231 1642 1 3 . 1 1 85 85 ARG H H 85 7.656 7.656 7.896 -0.240 19231 1643 1 3 . 1 1 86 86 ILE N N 86 113.200 113.200 117.857 -4.657 19231 1644 1 3 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.346 0.549 19231 1645 1 3 . 1 1 86 86 ILE C C 86 175.573 175.573 174.686 0.887 19231 1646 1 3 . 1 1 86 86 ILE CA C 86 59.461 59.461 59.971 -0.510 19231 1647 1 3 . 1 1 86 86 ILE CB C 86 39.188 39.188 42.365 -3.177 19231 1648 1 3 . 1 1 86 86 ILE H H 86 6.880 6.880 7.838 -0.958 19231 1649 1 3 . 1 1 87 87 ARG N N 87 128.727 128.727 123.425 5.302 19231 1650 1 3 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.735 0.062 19231 1651 1 3 . 1 1 87 87 ARG C C 87 176.501 176.501 174.803 1.698 19231 1652 1 3 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.906 -1.242 19231 1653 1 3 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.823 -1.812 19231 1654 1 3 . 1 1 87 87 ARG H H 87 9.786 9.786 8.417 1.369 19231 1655 1 3 . 1 1 88 88 THR N N 88 122.821 122.821 117.592 5.229 19231 1656 1 3 . 1 1 88 88 THR HA H 88 4.138 4.138 4.090 0.048 19231 1657 1 3 . 1 1 88 88 THR C C 88 173.802 173.802 174.040 -0.238 19231 1658 1 3 . 1 1 88 88 THR CA C 88 63.514 63.514 60.908 2.606 19231 1659 1 3 . 1 1 88 88 THR CB C 88 68.908 68.908 69.647 -0.739 19231 1660 1 3 . 1 1 88 88 THR H H 88 9.421 9.421 8.385 1.036 19231 1661 1 3 . 1 1 89 89 VAL N N 89 130.400 130.400 126.328 4.072 19231 1662 1 3 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.100 0.080 19231 1663 1 3 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.787 -0.409 19231 1664 1 3 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.394 -0.508 19231 1665 1 3 . 1 1 89 89 VAL H H 89 8.400 8.400 7.916 0.484 19231 1666 1 3 . 1 1 91 91 GLY C C 91 173.530 173.530 173.988 -0.458 19231 1667 1 3 . 1 1 91 91 GLY CA C 91 45.525 45.525 46.013 -0.488 19231 1668 1 3 . 1 1 92 92 PHE N N 92 119.601 119.601 120.180 -0.579 19231 1669 1 3 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.634 -0.193 19231 1670 1 3 . 1 1 92 92 PHE C C 92 174.744 174.744 173.987 0.757 19231 1671 1 3 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.644 1.410 19231 1672 1 3 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.324 3.109 19231 1673 1 3 . 1 1 92 92 PHE H H 92 8.332 8.332 7.796 0.536 19231 1674 1 3 . 1 1 93 93 GLY N N 93 105.445 105.445 105.285 0.160 19231 1675 1 3 . 1 1 93 93 GLY C C 93 171.776 171.776 172.869 -1.093 19231 1676 1 3 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.244 2.471 19231 1677 1 3 . 1 1 93 93 GLY H H 93 8.377 8.377 7.943 0.434 19231 1678 1 3 . 1 1 94 94 TYR N N 94 122.471 122.471 116.277 6.194 19231 1679 1 3 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.805 0.625 19231 1680 1 3 . 1 1 94 94 TYR C C 94 172.889 172.889 173.926 -1.037 19231 1681 1 3 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.763 -0.394 19231 1682 1 3 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.994 0.058 19231 1683 1 3 . 1 1 94 94 TYR H H 94 8.475 8.475 8.240 0.235 19231 1684 1 3 . 1 1 95 95 MET N N 95 118.643 118.643 118.548 0.095 19231 1685 1 3 . 1 1 95 95 MET HA H 95 4.890 4.890 4.839 0.051 19231 1686 1 3 . 1 1 95 95 MET C C 95 173.438 173.438 173.648 -0.210 19231 1687 1 3 . 1 1 95 95 MET CA C 95 54.125 54.125 55.517 -1.392 19231 1688 1 3 . 1 1 95 95 MET CB C 95 39.364 39.364 37.168 2.196 19231 1689 1 3 . 1 1 95 95 MET H H 95 8.936 8.936 8.425 0.511 19231 1690 1 3 . 1 1 96 96 LEU N N 96 130.194 130.194 125.494 4.700 19231 1691 1 3 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.661 0.419 19231 1692 1 3 . 1 1 96 96 LEU C C 96 174.912 174.912 176.498 -1.586 19231 1693 1 3 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.774 -0.292 19231 1694 1 3 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.944 0.812 19231 1695 1 3 . 1 1 96 96 LEU H H 96 9.848 9.848 8.737 1.111 19231 1696 1 3 . 1 1 97 97 ALA N N 97 131.168 131.168 128.106 3.062 19231 1697 1 3 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.209 0.127 19231 1698 1 3 . 1 1 97 97 ALA C C 97 176.560 176.560 176.941 -0.381 19231 1699 1 3 . 1 1 97 97 ALA CA C 97 51.895 51.895 51.933 -0.038 19231 1700 1 3 . 1 1 97 97 ALA CB C 97 20.011 20.011 18.673 1.338 19231 1701 1 3 . 1 1 97 97 ALA H H 97 8.681 8.681 8.307 0.374 19231 1702 1 3 . 1 1 98 98 ASN N N 98 118.268 118.268 123.412 -5.144 19231 1703 1 3 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.506 0.174 19231 1704 1 3 . 1 1 98 98 ASN C C 98 174.939 174.939 174.476 0.463 19231 1705 1 3 . 1 1 98 98 ASN CA C 98 52.429 52.429 53.615 -1.186 19231 1706 1 3 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.603 0.309 19231 1707 1 3 . 1 1 98 98 ASN H H 98 8.654 8.654 8.214 0.440 19231 1708 1 3 . 1 1 99 99 ASN N N 99 117.488 117.488 116.184 1.304 19231 1709 1 3 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.424 0.376 19231 1710 1 3 . 1 1 99 99 ASN C C 99 174.744 174.744 175.453 -0.709 19231 1711 1 3 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.678 -0.630 19231 1712 1 3 . 1 1 99 99 ASN CB C 99 39.039 39.039 37.897 1.142 19231 1713 1 3 . 1 1 99 99 ASN H H 99 8.131 8.131 8.491 -0.360 19231 1714 1 3 . 1 1 100 100 ILE N N 100 118.881 118.881 118.854 0.027 19231 1715 1 3 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.927 0.313 19231 1716 1 3 . 1 1 100 100 ILE C C 100 175.769 175.769 175.713 0.056 19231 1717 1 3 . 1 1 100 100 ILE CA C 100 61.004 61.004 63.099 -2.095 19231 1718 1 3 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.703 0.976 19231 1719 1 3 . 1 1 100 100 ILE H H 100 8.139 8.139 8.501 -0.362 19231 1720 1 3 . 1 1 101 101 ASP N N 101 123.516 123.516 113.632 9.884 19231 1721 1 3 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.541 0.179 19231 1722 1 3 . 1 1 101 101 ASP C C 101 176.210 176.210 176.113 0.097 19231 1723 1 3 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.191 0.322 19231 1724 1 3 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.122 1.099 19231 1725 1 3 . 1 1 101 101 ASP H H 101 8.426 8.426 8.021 0.405 19231 1726 1 3 . 1 1 102 102 THR N N 102 113.358 113.358 113.041 0.317 19231 1727 1 3 . 1 1 102 102 THR HA H 102 4.360 4.360 4.252 0.108 19231 1728 1 3 . 1 1 102 102 THR C C 102 173.733 173.733 175.328 -1.595 19231 1729 1 3 . 1 1 102 102 THR CA C 102 61.477 61.477 62.070 -0.593 19231 1730 1 3 . 1 1 102 102 THR CB C 102 69.788 69.788 69.529 0.259 19231 1731 1 3 . 1 1 102 102 THR H H 102 8.045 8.045 7.511 0.534 19231 1732 1 4 . 1 1 2 2 GLN N N 2 121.990 121.990 122.047 -0.057 19231 1733 1 4 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.445 -0.108 19231 1734 1 4 . 1 1 2 2 GLN C C 2 176.320 176.320 175.878 0.442 19231 1735 1 4 . 1 1 2 2 GLN CA C 2 56.295 56.295 55.710 0.585 19231 1736 1 4 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.717 1.553 19231 1737 1 4 . 1 1 2 2 GLN H H 2 8.705 8.705 8.397 0.308 19231 1738 1 4 . 1 1 3 3 GLY N N 3 110.481 110.481 106.954 3.527 19231 1739 1 4 . 1 1 3 3 GLY C C 3 174.116 174.116 173.419 0.697 19231 1740 1 4 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.365 -0.250 19231 1741 1 4 . 1 1 3 3 GLY H H 3 8.540 8.540 7.837 0.703 19231 1742 1 4 . 1 1 4 4 ASP N N 4 120.750 120.750 119.650 1.100 19231 1743 1 4 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.251 0.390 19231 1744 1 4 . 1 1 4 4 ASP C C 4 175.974 175.974 174.309 1.665 19231 1745 1 4 . 1 1 4 4 ASP CA C 4 54.456 54.456 54.899 -0.443 19231 1746 1 4 . 1 1 4 4 ASP CB C 4 41.190 41.190 39.910 1.280 19231 1747 1 4 . 1 1 4 4 ASP H H 4 8.251 8.251 8.389 -0.138 19231 1748 1 4 . 1 1 5 5 ASN N N 5 118.421 118.421 118.305 0.116 19231 1749 1 4 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.946 -0.185 19231 1750 1 4 . 1 1 5 5 ASN C C 5 174.017 174.017 173.067 0.950 19231 1751 1 4 . 1 1 5 5 ASN CA C 5 53.354 53.354 52.915 0.439 19231 1752 1 4 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.689 -1.753 19231 1753 1 4 . 1 1 5 5 ASN H H 5 8.513 8.513 8.183 0.330 19231 1754 1 4 . 1 1 6 6 GLU N N 6 120.905 120.905 120.531 0.374 19231 1755 1 4 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.380 0.092 19231 1756 1 4 . 1 1 6 6 GLU C C 6 175.808 175.808 174.655 1.153 19231 1757 1 4 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.424 -0.329 19231 1758 1 4 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.483 -0.470 19231 1759 1 4 . 1 1 6 6 GLU H H 6 8.116 8.116 8.342 -0.226 19231 1760 1 4 . 1 1 7 7 ILE N N 7 122.567 122.567 115.133 7.434 19231 1761 1 4 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.744 -0.210 19231 1762 1 4 . 1 1 7 7 ILE C C 7 174.653 174.653 173.855 0.798 19231 1763 1 4 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.852 0.261 19231 1764 1 4 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.792 -0.450 19231 1765 1 4 . 1 1 7 7 ILE H H 7 8.966 8.966 8.963 0.003 19231 1766 1 4 . 1 1 8 8 SER N N 8 120.446 120.446 117.085 3.361 19231 1767 1 4 . 1 1 8 8 SER HA H 8 5.536 5.536 5.562 -0.026 19231 1768 1 4 . 1 1 8 8 SER C C 8 174.082 174.082 173.308 0.774 19231 1769 1 4 . 1 1 8 8 SER CA C 8 57.050 57.050 57.363 -0.313 19231 1770 1 4 . 1 1 8 8 SER CB C 8 65.470 65.470 65.520 -0.050 19231 1771 1 4 . 1 1 8 8 SER H H 8 8.773 8.773 8.311 0.462 19231 1772 1 4 . 1 1 9 9 VAL N N 9 124.896 124.896 123.811 1.085 19231 1773 1 4 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.425 -0.235 19231 1774 1 4 . 1 1 9 9 VAL C C 9 176.141 176.141 175.091 1.050 19231 1775 1 4 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.842 -0.544 19231 1776 1 4 . 1 1 9 9 VAL CB C 9 33.763 33.763 33.371 0.392 19231 1777 1 4 . 1 1 9 9 VAL H H 9 8.874 8.874 8.885 -0.011 19231 1778 1 4 . 1 1 10 10 GLY N N 10 117.992 117.992 117.351 0.641 19231 1779 1 4 . 1 1 10 10 GLY C C 10 174.785 174.785 174.308 0.477 19231 1780 1 4 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.797 0.533 19231 1781 1 4 . 1 1 10 10 GLY H H 10 9.114 9.114 8.752 0.362 19231 1782 1 4 . 1 1 11 11 ASN N N 11 124.908 124.908 122.713 2.195 19231 1783 1 4 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.738 -0.050 19231 1784 1 4 . 1 1 11 11 ASN C C 11 174.765 174.765 174.743 0.022 19231 1785 1 4 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.671 0.207 19231 1786 1 4 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.553 -2.276 19231 1787 1 4 . 1 1 11 11 ASN H H 11 8.609 8.609 8.352 0.257 19231 1788 1 4 . 1 1 12 12 LEU N N 12 123.550 123.550 123.095 0.455 19231 1789 1 4 . 1 1 12 12 LEU HA H 12 5.415 5.415 4.977 0.438 19231 1790 1 4 . 1 1 12 12 LEU C C 12 175.653 175.653 176.001 -0.348 19231 1791 1 4 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.685 -0.748 19231 1792 1 4 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.906 1.532 19231 1793 1 4 . 1 1 12 12 LEU H H 12 8.256 8.256 7.502 0.754 19231 1794 1 4 . 1 1 13 13 ARG N N 13 124.719 124.719 123.810 0.909 19231 1795 1 4 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.955 0.272 19231 1796 1 4 . 1 1 13 13 ARG C C 13 173.394 173.394 174.645 -1.251 19231 1797 1 4 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.018 -0.001 19231 1798 1 4 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.891 1.616 19231 1799 1 4 . 1 1 13 13 ARG H H 13 9.169 9.169 8.311 0.858 19231 1800 1 4 . 1 1 14 14 LEU N N 14 127.743 127.743 126.638 1.105 19231 1801 1 4 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.921 0.395 19231 1802 1 4 . 1 1 14 14 LEU C C 14 174.807 174.807 174.415 0.392 19231 1803 1 4 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.596 0.220 19231 1804 1 4 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.230 0.576 19231 1805 1 4 . 1 1 14 14 LEU H H 14 9.394 9.394 9.263 0.131 19231 1806 1 4 . 1 1 15 15 ASN N N 15 125.577 125.577 125.869 -0.292 19231 1807 1 4 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.232 0.175 19231 1808 1 4 . 1 1 15 15 ASN C C 15 175.621 175.621 175.830 -0.209 19231 1809 1 4 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.806 -0.762 19231 1810 1 4 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.235 -0.168 19231 1811 1 4 . 1 1 15 15 ASN H H 15 9.520 9.520 8.966 0.554 19231 1812 1 4 . 1 1 16 16 VAL N N 16 123.478 123.478 125.464 -1.986 19231 1813 1 4 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.936 0.144 19231 1814 1 4 . 1 1 16 16 VAL C C 16 177.902 177.902 177.217 0.685 19231 1815 1 4 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.726 -1.312 19231 1816 1 4 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.123 0.081 19231 1817 1 4 . 1 1 16 16 VAL H H 16 8.759 8.759 8.355 0.404 19231 1818 1 4 . 1 1 17 17 THR N N 17 117.004 117.004 114.622 2.382 19231 1819 1 4 . 1 1 17 17 THR HA H 17 4.340 4.340 4.014 0.326 19231 1820 1 4 . 1 1 17 17 THR C C 17 176.177 176.177 175.703 0.474 19231 1821 1 4 . 1 1 17 17 THR CA C 17 65.922 65.922 65.234 0.688 19231 1822 1 4 . 1 1 17 17 THR CB C 17 68.899 68.899 68.978 -0.079 19231 1823 1 4 . 1 1 17 17 THR H H 17 8.045 8.045 7.549 0.496 19231 1824 1 4 . 1 1 18 18 ARG N N 18 117.565 117.565 118.144 -0.579 19231 1825 1 4 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.356 -0.158 19231 1826 1 4 . 1 1 18 18 ARG C C 18 174.802 174.802 176.073 -1.271 19231 1827 1 4 . 1 1 18 18 ARG CA C 18 55.605 55.605 56.525 -0.920 19231 1828 1 4 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.612 0.613 19231 1829 1 4 . 1 1 18 18 ARG H H 18 8.035 8.035 8.454 -0.419 19231 1830 1 4 . 1 1 19 19 ARG N N 19 117.471 117.471 118.456 -0.985 19231 1831 1 4 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.468 0.446 19231 1832 1 4 . 1 1 19 19 ARG C C 19 174.359 174.359 174.218 0.141 19231 1833 1 4 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.647 -0.160 19231 1834 1 4 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.622 -1.374 19231 1835 1 4 . 1 1 19 19 ARG H H 19 7.877 7.877 7.856 0.021 19231 1836 1 4 . 1 1 20 20 LEU N N 20 118.701 118.701 119.138 -0.437 19231 1837 1 4 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.529 0.001 19231 1838 1 4 . 1 1 20 20 LEU C C 20 174.619 174.619 174.388 0.231 19231 1839 1 4 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.574 -0.720 19231 1840 1 4 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.898 0.349 19231 1841 1 4 . 1 1 20 20 LEU H H 20 7.565 7.565 8.053 -0.488 19231 1842 1 4 . 1 1 21 21 VAL N N 21 120.636 120.636 117.708 2.928 19231 1843 1 4 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.070 0.127 19231 1844 1 4 . 1 1 21 21 VAL C C 21 174.036 174.036 175.023 -0.987 19231 1845 1 4 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.761 -0.890 19231 1846 1 4 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.456 -0.008 19231 1847 1 4 . 1 1 21 21 VAL H H 21 8.466 8.466 8.239 0.227 19231 1848 1 4 . 1 1 22 22 TRP N N 22 126.709 126.709 126.732 -0.023 19231 1849 1 4 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.210 -0.080 19231 1850 1 4 . 1 1 22 22 TRP C C 22 174.877 174.877 174.948 -0.071 19231 1851 1 4 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.208 0.859 19231 1852 1 4 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.183 -0.046 19231 1853 1 4 . 1 1 22 22 TRP H H 22 9.596 9.596 8.874 0.722 19231 1854 1 4 . 1 1 23 23 LEU N N 23 123.443 123.443 122.992 0.451 19231 1855 1 4 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.665 0.369 19231 1856 1 4 . 1 1 23 23 LEU C C 23 177.552 177.552 176.061 1.491 19231 1857 1 4 . 1 1 23 23 LEU CA C 23 53.427 53.427 54.189 -0.762 19231 1858 1 4 . 1 1 23 23 LEU CB C 23 43.922 43.922 44.202 -0.280 19231 1859 1 4 . 1 1 23 23 LEU H H 23 8.834 8.834 9.211 -0.377 19231 1860 1 4 . 1 1 24 24 GLY N N 24 117.546 117.546 115.853 1.693 19231 1861 1 4 . 1 1 24 24 GLY C C 24 174.915 174.915 175.137 -0.222 19231 1862 1 4 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.689 1.531 19231 1863 1 4 . 1 1 24 24 GLY H H 24 9.401 9.401 8.561 0.840 19231 1864 1 4 . 1 1 25 25 GLU N N 25 124.565 124.565 112.923 11.642 19231 1865 1 4 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.868 0.460 19231 1866 1 4 . 1 1 25 25 GLU C C 25 176.350 176.350 175.793 0.557 19231 1867 1 4 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.020 -1.620 19231 1868 1 4 . 1 1 25 25 GLU CB C 25 29.811 29.811 28.831 0.980 19231 1869 1 4 . 1 1 25 25 GLU H H 25 9.051 9.051 8.799 0.252 19231 1870 1 4 . 1 1 26 26 THR N N 26 117.538 117.538 111.778 5.760 19231 1871 1 4 . 1 1 26 26 THR HA H 26 4.305 4.305 4.586 -0.281 19231 1872 1 4 . 1 1 26 26 THR C C 26 173.226 173.226 173.872 -0.646 19231 1873 1 4 . 1 1 26 26 THR CA C 26 62.118 62.118 60.935 1.183 19231 1874 1 4 . 1 1 26 26 THR CB C 26 70.399 70.399 70.458 -0.059 19231 1875 1 4 . 1 1 26 26 THR H H 26 8.140 8.140 7.500 0.640 19231 1876 1 4 . 1 1 27 27 ALA N N 27 131.183 131.183 127.940 3.243 19231 1877 1 4 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.894 0.196 19231 1878 1 4 . 1 1 27 27 ALA C C 27 177.483 177.483 176.770 0.713 19231 1879 1 4 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.065 0.369 19231 1880 1 4 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.804 -0.889 19231 1881 1 4 . 1 1 27 27 ALA H H 27 8.937 8.937 8.608 0.329 19231 1882 1 4 . 1 1 28 28 LEU N N 28 124.160 124.160 125.547 -1.387 19231 1883 1 4 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.340 -0.004 19231 1884 1 4 . 1 1 28 28 LEU C C 28 176.114 176.114 176.195 -0.081 19231 1885 1 4 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.847 -1.241 19231 1886 1 4 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.512 -0.190 19231 1887 1 4 . 1 1 28 28 LEU H H 28 8.663 8.663 8.082 0.581 19231 1888 1 4 . 1 1 29 29 ASP N N 29 124.715 124.715 126.190 -1.475 19231 1889 1 4 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.873 -0.163 19231 1890 1 4 . 1 1 29 29 ASP C C 29 174.721 174.721 175.577 -0.856 19231 1891 1 4 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.663 -0.339 19231 1892 1 4 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.950 -0.615 19231 1893 1 4 . 1 1 29 29 ASP H H 29 8.690 8.690 8.459 0.231 19231 1894 1 4 . 1 1 30 30 LEU N N 30 123.472 123.472 121.066 2.406 19231 1895 1 4 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.831 0.000 19231 1896 1 4 . 1 1 30 30 LEU C C 30 177.944 177.944 176.321 1.623 19231 1897 1 4 . 1 1 30 30 LEU CA C 30 52.937 52.937 52.918 0.019 19231 1898 1 4 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.788 -0.808 19231 1899 1 4 . 1 1 30 30 LEU H H 30 7.969 7.969 8.065 -0.096 19231 1900 1 4 . 1 1 31 31 THR N N 31 115.969 115.969 110.791 5.178 19231 1901 1 4 . 1 1 31 31 THR HA H 31 4.700 4.700 4.417 0.283 19231 1902 1 4 . 1 1 31 31 THR C C 31 173.645 173.645 175.205 -1.560 19231 1903 1 4 . 1 1 31 31 THR CA C 31 60.704 60.704 60.188 0.516 19231 1904 1 4 . 1 1 31 31 THR CB C 31 67.869 67.869 68.888 -1.018 19231 1905 1 4 . 1 1 31 31 THR H H 31 8.864 8.864 8.401 0.463 19231 1906 1 4 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.249 0.031 19231 1907 1 4 . 1 1 32 32 PRO C C 32 178.657 178.657 178.873 -0.216 19231 1908 1 4 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.762 0.742 19231 1909 1 4 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.954 0.025 19231 1910 1 4 . 1 1 33 33 LYS N N 33 116.417 116.417 117.517 -1.100 19231 1911 1 4 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.010 -0.086 19231 1912 1 4 . 1 1 33 33 LYS C C 33 178.084 178.084 179.005 -0.921 19231 1913 1 4 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.934 -0.269 19231 1914 1 4 . 1 1 33 33 LYS CB C 33 32.572 32.572 32.030 0.542 19231 1915 1 4 . 1 1 33 33 LYS H H 33 8.044 8.044 8.512 -0.468 19231 1916 1 4 . 1 1 34 34 GLU N N 34 118.272 118.272 118.828 -0.556 19231 1917 1 4 . 1 1 34 34 GLU HA H 34 3.620 3.620 4.022 -0.402 19231 1918 1 4 . 1 1 34 34 GLU C C 34 178.512 178.512 178.761 -0.249 19231 1919 1 4 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.172 0.372 19231 1920 1 4 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.384 1.137 19231 1921 1 4 . 1 1 34 34 GLU H H 34 7.376 7.376 8.119 -0.743 19231 1922 1 4 . 1 1 35 35 TYR N N 35 118.351 118.351 120.026 -1.675 19231 1923 1 4 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.102 -0.405 19231 1924 1 4 . 1 1 35 35 TYR C C 35 177.597 177.597 176.794 0.803 19231 1925 1 4 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.160 1.141 19231 1926 1 4 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.067 -0.133 19231 1927 1 4 . 1 1 35 35 TYR H H 35 8.950 8.950 7.519 1.431 19231 1928 1 4 . 1 1 36 36 ALA N N 36 123.913 123.913 122.054 1.859 19231 1929 1 4 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.105 -0.362 19231 1930 1 4 . 1 1 36 36 ALA C C 36 180.061 180.061 179.471 0.590 19231 1931 1 4 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.083 0.330 19231 1932 1 4 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.079 -0.017 19231 1933 1 4 . 1 1 36 36 ALA H H 36 8.147 8.147 7.695 0.452 19231 1934 1 4 . 1 1 37 37 LEU N N 37 116.924 116.924 119.732 -2.808 19231 1935 1 4 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.225 -0.315 19231 1936 1 4 . 1 1 37 37 LEU C C 37 177.760 177.760 179.141 -1.381 19231 1937 1 4 . 1 1 37 37 LEU CA C 37 57.336 57.336 58.039 -0.703 19231 1938 1 4 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.512 1.531 19231 1939 1 4 . 1 1 37 37 LEU H H 37 7.651 7.651 7.516 0.135 19231 1940 1 4 . 1 1 38 38 LEU N N 38 118.232 118.232 120.211 -1.979 19231 1941 1 4 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.794 0.076 19231 1942 1 4 . 1 1 38 38 LEU C C 38 178.524 178.524 178.465 0.059 19231 1943 1 4 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.461 -1.064 19231 1944 1 4 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.319 -0.190 19231 1945 1 4 . 1 1 38 38 LEU H H 38 8.550 8.550 8.731 -0.181 19231 1946 1 4 . 1 1 39 39 SER N N 39 113.045 113.045 113.653 -0.608 19231 1947 1 4 . 1 1 39 39 SER HA H 39 3.700 3.700 4.034 -0.334 19231 1948 1 4 . 1 1 39 39 SER C C 39 175.854 175.854 176.694 -0.840 19231 1949 1 4 . 1 1 39 39 SER CA C 39 62.126 62.126 61.747 0.379 19231 1950 1 4 . 1 1 39 39 SER CB C 39 68.227 68.227 62.895 5.332 19231 1951 1 4 . 1 1 39 39 SER H H 39 8.540 8.540 8.181 0.359 19231 1952 1 4 . 1 1 40 40 ARG N N 40 121.521 121.521 121.000 0.521 19231 1953 1 4 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.181 -0.171 19231 1954 1 4 . 1 1 40 40 ARG C C 40 178.731 178.731 178.636 0.095 19231 1955 1 4 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.209 0.103 19231 1956 1 4 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.821 -1.296 19231 1957 1 4 . 1 1 40 40 ARG H H 40 7.112 7.112 7.462 -0.350 19231 1958 1 4 . 1 1 41 41 LEU N N 41 115.939 115.939 120.726 -4.787 19231 1959 1 4 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.902 0.090 19231 1960 1 4 . 1 1 41 41 LEU C C 41 180.049 180.049 178.721 1.328 19231 1961 1 4 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.120 -0.284 19231 1962 1 4 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.880 0.136 19231 1963 1 4 . 1 1 41 41 LEU H H 41 7.960 7.960 8.137 -0.177 19231 1964 1 4 . 1 1 42 42 MET N N 42 116.335 116.335 116.998 -0.663 19231 1965 1 4 . 1 1 42 42 MET HA H 42 3.877 3.877 4.169 -0.292 19231 1966 1 4 . 1 1 42 42 MET C C 42 178.748 178.748 178.562 0.186 19231 1967 1 4 . 1 1 42 42 MET CA C 42 59.530 59.530 56.953 2.577 19231 1968 1 4 . 1 1 42 42 MET CB C 42 33.449 33.449 32.611 0.838 19231 1969 1 4 . 1 1 42 42 MET H H 42 8.825 8.825 8.396 0.429 19231 1970 1 4 . 1 1 43 43 MET N N 43 119.000 119.000 119.611 -0.611 19231 1971 1 4 . 1 1 43 43 MET HA H 43 4.137 4.137 4.169 -0.032 19231 1972 1 4 . 1 1 43 43 MET C C 43 176.813 176.813 176.840 -0.027 19231 1973 1 4 . 1 1 43 43 MET CA C 43 58.405 58.405 58.019 0.386 19231 1974 1 4 . 1 1 43 43 MET CB C 43 32.382 32.382 32.769 -0.387 19231 1975 1 4 . 1 1 43 43 MET H H 43 8.250 8.250 7.547 0.703 19231 1976 1 4 . 1 1 44 44 LYS N N 44 117.715 117.715 116.540 1.175 19231 1977 1 4 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.582 0.049 19231 1978 1 4 . 1 1 44 44 LYS C C 44 175.226 175.226 174.723 0.503 19231 1979 1 4 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.836 -2.010 19231 1980 1 4 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.820 -1.349 19231 1981 1 4 . 1 1 44 44 LYS H H 44 7.088 7.088 7.398 -0.310 19231 1982 1 4 . 1 1 45 45 ALA N N 45 122.613 122.613 121.961 0.652 19231 1983 1 4 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.305 0.014 19231 1984 1 4 . 1 1 45 45 ALA C C 45 178.994 178.994 178.276 0.718 19231 1985 1 4 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.550 1.124 19231 1986 1 4 . 1 1 45 45 ALA CB C 45 19.397 19.397 19.095 0.302 19231 1987 1 4 . 1 1 45 45 ALA H H 45 6.952 6.952 7.728 -0.776 19231 1988 1 4 . 1 1 46 46 GLY N N 46 109.561 109.561 110.485 -0.924 19231 1989 1 4 . 1 1 46 46 GLY C C 46 173.547 173.547 174.252 -0.705 19231 1990 1 4 . 1 1 46 46 GLY CA C 46 45.466 45.466 44.998 0.468 19231 1991 1 4 . 1 1 46 46 GLY H H 46 8.944 8.944 8.585 0.359 19231 1992 1 4 . 1 1 47 47 SER N N 47 116.886 116.886 116.708 0.178 19231 1993 1 4 . 1 1 47 47 SER HA H 47 5.130 5.130 4.948 0.182 19231 1994 1 4 . 1 1 47 47 SER C C 47 170.481 170.481 172.118 -1.637 19231 1995 1 4 . 1 1 47 47 SER CA C 47 55.988 55.988 55.146 0.842 19231 1996 1 4 . 1 1 47 47 SER CB C 47 65.098 65.098 64.705 0.393 19231 1997 1 4 . 1 1 47 47 SER H H 47 8.759 8.759 7.570 1.189 19231 1998 1 4 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.721 -0.303 19231 1999 1 4 . 1 1 48 48 PRO C C 48 175.854 175.854 176.181 -0.327 19231 2000 1 4 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.630 -0.184 19231 2001 1 4 . 1 1 48 48 PRO CB C 48 32.909 32.909 31.855 1.054 19231 2002 1 4 . 1 1 49 49 VAL N N 49 124.173 124.173 124.432 -0.259 19231 2003 1 4 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.200 0.211 19231 2004 1 4 . 1 1 49 49 VAL C C 49 175.186 175.186 175.726 -0.540 19231 2005 1 4 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.950 0.509 19231 2006 1 4 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.629 -0.133 19231 2007 1 4 . 1 1 49 49 VAL H H 49 9.235 9.235 8.672 0.563 19231 2008 1 4 . 1 1 50 50 HIS N N 50 128.035 128.035 125.953 2.082 19231 2009 1 4 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.122 -0.552 19231 2010 1 4 . 1 1 50 50 HIS C C 50 177.130 177.130 176.570 0.560 19231 2011 1 4 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.627 2.826 19231 2012 1 4 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.249 1.293 19231 2013 1 4 . 1 1 50 50 HIS H H 50 8.791 8.791 8.723 0.068 19231 2014 1 4 . 1 1 51 51 ARG N N 51 125.631 125.631 126.097 -0.466 19231 2015 1 4 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.888 -0.008 19231 2016 1 4 . 1 1 51 51 ARG C C 51 176.786 176.786 177.609 -0.823 19231 2017 1 4 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.259 0.820 19231 2018 1 4 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.690 0.460 19231 2019 1 4 . 1 1 51 51 ARG H H 51 8.544 8.544 8.346 0.198 19231 2020 1 4 . 1 1 52 52 GLU N N 52 120.964 120.964 119.762 1.202 19231 2021 1 4 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.793 0.287 19231 2022 1 4 . 1 1 52 52 GLU C C 52 179.334 179.334 178.564 0.770 19231 2023 1 4 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.758 1.011 19231 2024 1 4 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.863 0.365 19231 2025 1 4 . 1 1 52 52 GLU H H 52 10.831 10.831 7.588 3.243 19231 2026 1 4 . 1 1 53 53 ILE N N 53 119.337 119.337 119.443 -0.106 19231 2027 1 4 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.703 0.168 19231 2028 1 4 . 1 1 53 53 ILE C C 53 178.080 178.080 178.178 -0.098 19231 2029 1 4 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.618 -1.508 19231 2030 1 4 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.630 -0.134 19231 2031 1 4 . 1 1 53 53 ILE H H 53 7.239 7.239 7.668 -0.429 19231 2032 1 4 . 1 1 54 54 LEU N N 54 118.502 118.502 118.375 0.127 19231 2033 1 4 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.317 -0.157 19231 2034 1 4 . 1 1 54 54 LEU C C 54 178.676 178.676 179.330 -0.654 19231 2035 1 4 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.272 -0.198 19231 2036 1 4 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.590 -0.267 19231 2037 1 4 . 1 1 54 54 LEU H H 54 7.198 7.198 7.340 -0.142 19231 2038 1 4 . 1 1 55 55 TYR N N 55 117.114 117.114 118.937 -1.823 19231 2039 1 4 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.341 -0.206 19231 2040 1 4 . 1 1 55 55 TYR C C 55 177.987 177.987 178.042 -0.055 19231 2041 1 4 . 1 1 55 55 TYR CA C 55 61.137 61.137 59.710 1.427 19231 2042 1 4 . 1 1 55 55 TYR CB C 55 38.107 38.107 37.877 0.230 19231 2043 1 4 . 1 1 55 55 TYR H H 55 8.872 8.872 7.921 0.951 19231 2044 1 4 . 1 1 56 56 ASN N N 56 116.720 116.720 115.997 0.723 19231 2045 1 4 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.622 -0.137 19231 2046 1 4 . 1 1 56 56 ASN C C 56 177.439 177.439 175.881 1.558 19231 2047 1 4 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.919 0.094 19231 2048 1 4 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.242 0.048 19231 2049 1 4 . 1 1 56 56 ASN H H 56 7.796 7.796 8.058 -0.262 19231 2050 1 4 . 1 1 57 57 ASP N N 57 118.532 118.532 120.084 -1.552 19231 2051 1 4 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.424 0.116 19231 2052 1 4 . 1 1 57 57 ASP C C 57 177.886 177.886 177.110 0.776 19231 2053 1 4 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.769 0.317 19231 2054 1 4 . 1 1 57 57 ASP CB C 57 40.880 40.880 41.171 -0.291 19231 2055 1 4 . 1 1 57 57 ASP H H 57 7.842 7.842 7.710 0.132 19231 2056 1 4 . 1 1 58 58 ILE N N 58 109.975 109.975 115.997 -6.022 19231 2057 1 4 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.942 0.358 19231 2058 1 4 . 1 1 58 58 ILE C C 58 175.916 175.916 174.056 1.860 19231 2059 1 4 . 1 1 58 58 ILE CA C 58 61.340 61.340 60.704 0.636 19231 2060 1 4 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.829 0.001 19231 2061 1 4 . 1 1 58 58 ILE H H 58 7.277 7.277 7.314 -0.037 19231 2062 1 4 . 1 1 59 59 TYR N N 59 122.761 122.761 119.506 3.255 19231 2063 1 4 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.747 -0.451 19231 2064 1 4 . 1 1 59 59 TYR C C 59 176.037 176.037 175.410 0.627 19231 2065 1 4 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.547 1.623 19231 2066 1 4 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.323 -1.046 19231 2067 1 4 . 1 1 59 59 TYR H H 59 7.788 7.788 8.077 -0.289 19231 2068 1 4 . 1 1 60 60 SER N N 60 117.350 117.350 118.107 -0.757 19231 2069 1 4 . 1 1 60 60 SER HA H 60 4.292 4.292 4.425 -0.133 19231 2070 1 4 . 1 1 60 60 SER C C 60 174.206 174.206 175.439 -1.233 19231 2071 1 4 . 1 1 60 60 SER CA C 60 57.976 57.976 58.714 -0.738 19231 2072 1 4 . 1 1 60 60 SER CB C 60 63.884 63.884 63.056 0.828 19231 2073 1 4 . 1 1 60 60 SER H H 60 7.721 7.721 8.495 -0.774 19231 2074 1 4 . 1 1 61 61 TRP N N 61 122.170 122.170 120.607 1.563 19231 2075 1 4 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.480 -0.003 19231 2076 1 4 . 1 1 61 61 TRP C C 61 175.798 175.798 175.944 -0.146 19231 2077 1 4 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.825 0.038 19231 2078 1 4 . 1 1 61 61 TRP CB C 61 28.826 28.826 29.492 -0.666 19231 2079 1 4 . 1 1 61 61 TRP H H 61 7.990 7.990 7.461 0.529 19231 2080 1 4 . 1 1 62 62 ASP N N 62 119.118 119.118 117.072 2.046 19231 2081 1 4 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.356 0.084 19231 2082 1 4 . 1 1 62 62 ASP C C 62 175.559 175.559 176.883 -1.324 19231 2083 1 4 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.378 -1.567 19231 2084 1 4 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.813 -0.097 19231 2085 1 4 . 1 1 62 62 ASP H H 62 7.900 7.900 8.266 -0.366 19231 2086 1 4 . 1 1 63 63 ASN N N 63 117.586 117.586 117.344 0.242 19231 2087 1 4 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.463 0.083 19231 2088 1 4 . 1 1 63 63 ASN C C 63 174.737 174.737 175.385 -0.648 19231 2089 1 4 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.585 -1.427 19231 2090 1 4 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.387 0.356 19231 2091 1 4 . 1 1 63 63 ASN H H 63 8.080 8.080 8.404 -0.324 19231 2092 1 4 . 1 1 64 64 GLU N N 64 121.831 121.831 120.271 1.560 19231 2093 1 4 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.328 0.252 19231 2094 1 4 . 1 1 64 64 GLU C C 64 174.706 174.706 174.315 0.391 19231 2095 1 4 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.890 -1.130 19231 2096 1 4 . 1 1 64 64 GLU CB C 64 29.829 29.829 28.985 0.845 19231 2097 1 4 . 1 1 64 64 GLU H H 64 8.224 8.224 8.604 -0.380 19231 2098 1 4 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.355 0.039 19231 2099 1 4 . 1 1 65 65 PRO C C 65 177.312 177.312 176.428 0.884 19231 2100 1 4 . 1 1 65 65 PRO CA C 65 63.824 63.824 63.172 0.652 19231 2101 1 4 . 1 1 65 65 PRO CB C 65 31.871 31.871 32.289 -0.418 19231 2102 1 4 . 1 1 66 66 ALA N N 66 122.755 122.755 125.559 -2.804 19231 2103 1 4 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.194 0.156 19231 2104 1 4 . 1 1 66 66 ALA C C 66 178.352 178.352 177.820 0.532 19231 2105 1 4 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.410 -0.562 19231 2106 1 4 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.040 0.046 19231 2107 1 4 . 1 1 66 66 ALA H H 66 8.465 8.465 8.327 0.138 19231 2108 1 4 . 1 1 67 67 THR N N 67 111.079 111.079 112.022 -0.943 19231 2109 1 4 . 1 1 67 67 THR HA H 67 4.287 4.287 4.239 0.048 19231 2110 1 4 . 1 1 67 67 THR C C 67 175.040 175.040 174.052 0.988 19231 2111 1 4 . 1 1 67 67 THR CA C 67 62.505 62.505 61.267 1.238 19231 2112 1 4 . 1 1 67 67 THR CB C 67 69.187 69.187 69.343 -0.156 19231 2113 1 4 . 1 1 67 67 THR H H 67 8.002 8.002 7.562 0.440 19231 2114 1 4 . 1 1 68 68 ASN N N 68 120.768 120.768 123.552 -2.784 19231 2115 1 4 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.663 0.316 19231 2116 1 4 . 1 1 68 68 ASN C C 68 175.250 175.250 174.932 0.318 19231 2117 1 4 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.447 -1.411 19231 2118 1 4 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.504 0.174 19231 2119 1 4 . 1 1 68 68 ASN H H 68 8.280 8.280 8.596 -0.316 19231 2120 1 4 . 1 1 69 69 THR N N 69 112.288 112.288 116.747 -4.459 19231 2121 1 4 . 1 1 69 69 THR HA H 69 4.480 4.480 4.364 0.116 19231 2122 1 4 . 1 1 69 69 THR C C 69 175.830 175.830 175.083 0.747 19231 2123 1 4 . 1 1 69 69 THR CA C 69 62.328 62.328 63.290 -0.962 19231 2124 1 4 . 1 1 69 69 THR CB C 69 69.927 69.927 69.508 0.419 19231 2125 1 4 . 1 1 69 69 THR H H 69 7.691 7.691 8.204 -0.513 19231 2126 1 4 . 1 1 70 70 LEU N N 70 123.384 123.384 122.332 1.052 19231 2127 1 4 . 1 1 70 70 LEU HA H 70 4.080 4.080 3.669 0.411 19231 2128 1 4 . 1 1 70 70 LEU C C 70 177.457 177.457 178.270 -0.813 19231 2129 1 4 . 1 1 70 70 LEU CA C 70 58.608 58.608 57.855 0.753 19231 2130 1 4 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.491 0.003 19231 2131 1 4 . 1 1 70 70 LEU H H 70 8.843 8.843 8.486 0.357 19231 2132 1 4 . 1 1 71 71 GLU N N 71 116.878 116.878 118.082 -1.204 19231 2133 1 4 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.040 -0.335 19231 2134 1 4 . 1 1 71 71 GLU C C 71 179.305 179.305 178.762 0.543 19231 2135 1 4 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.389 1.782 19231 2136 1 4 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.275 -0.447 19231 2137 1 4 . 1 1 71 71 GLU H H 71 8.652 8.652 8.738 -0.086 19231 2138 1 4 . 1 1 72 72 VAL N N 72 121.419 121.419 118.797 2.622 19231 2139 1 4 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.772 -0.087 19231 2140 1 4 . 1 1 72 72 VAL C C 72 177.680 177.680 177.629 0.051 19231 2141 1 4 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.407 -0.296 19231 2142 1 4 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.866 -0.399 19231 2143 1 4 . 1 1 72 72 VAL H H 72 7.559 7.559 7.741 -0.182 19231 2144 1 4 . 1 1 73 73 HIS N N 73 118.272 118.272 119.477 -1.205 19231 2145 1 4 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.208 0.252 19231 2146 1 4 . 1 1 73 73 HIS C C 73 178.616 178.616 178.048 0.568 19231 2147 1 4 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.495 0.711 19231 2148 1 4 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.724 1.545 19231 2149 1 4 . 1 1 73 73 HIS H H 73 7.420 7.420 7.600 -0.180 19231 2150 1 4 . 1 1 74 74 ILE N N 74 118.940 118.940 119.907 -0.967 19231 2151 1 4 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.652 -0.082 19231 2152 1 4 . 1 1 74 74 ILE C C 74 177.819 177.819 177.587 0.232 19231 2153 1 4 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.540 -3.597 19231 2154 1 4 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.727 -3.452 19231 2155 1 4 . 1 1 74 74 ILE H H 74 8.515 8.515 8.001 0.514 19231 2156 1 4 . 1 1 75 75 HIS N N 75 120.484 120.484 119.766 0.718 19231 2157 1 4 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.200 0.070 19231 2158 1 4 . 1 1 75 75 HIS C C 75 177.445 177.445 177.231 0.214 19231 2159 1 4 . 1 1 75 75 HIS CA C 75 60.116 60.116 58.994 1.122 19231 2160 1 4 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.370 -0.558 19231 2161 1 4 . 1 1 75 75 HIS H H 75 8.189 8.189 7.925 0.264 19231 2162 1 4 . 1 1 76 76 ASN N N 76 119.098 119.098 117.738 1.360 19231 2163 1 4 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.523 -0.134 19231 2164 1 4 . 1 1 76 76 ASN C C 76 178.615 178.615 177.704 0.911 19231 2165 1 4 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.591 -0.086 19231 2166 1 4 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.825 -1.516 19231 2167 1 4 . 1 1 76 76 ASN H H 76 8.456 8.456 7.904 0.552 19231 2168 1 4 . 1 1 77 77 LEU N N 77 120.517 120.517 121.337 -0.820 19231 2169 1 4 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.141 -0.190 19231 2170 1 4 . 1 1 77 77 LEU C C 77 178.945 178.945 178.055 0.890 19231 2171 1 4 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.482 0.514 19231 2172 1 4 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.436 1.670 19231 2173 1 4 . 1 1 77 77 LEU H H 77 8.579 8.579 8.408 0.171 19231 2174 1 4 . 1 1 78 78 ARG N N 78 119.521 119.521 120.086 -0.565 19231 2175 1 4 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.820 -0.160 19231 2176 1 4 . 1 1 78 78 ARG C C 78 178.766 178.766 178.274 0.492 19231 2177 1 4 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.106 -0.671 19231 2178 1 4 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.297 0.537 19231 2179 1 4 . 1 1 78 78 ARG H H 78 8.687 8.687 8.918 -0.231 19231 2180 1 4 . 1 1 79 79 GLU N N 79 116.882 116.882 117.038 -0.156 19231 2181 1 4 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.140 -0.211 19231 2182 1 4 . 1 1 79 79 GLU C C 79 178.226 178.226 178.595 -0.369 19231 2183 1 4 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.818 -0.152 19231 2184 1 4 . 1 1 79 79 GLU CB C 79 29.551 29.551 28.932 0.619 19231 2185 1 4 . 1 1 79 79 GLU H H 79 7.717 7.717 7.911 -0.194 19231 2186 1 4 . 1 1 80 80 LYS N N 80 116.574 116.574 118.570 -1.996 19231 2187 1 4 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.094 0.158 19231 2188 1 4 . 1 1 80 80 LYS C C 80 178.413 178.413 178.518 -0.105 19231 2189 1 4 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.773 0.288 19231 2190 1 4 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.612 1.826 19231 2191 1 4 . 1 1 80 80 LYS H H 80 7.419 7.419 7.379 0.040 19231 2192 1 4 . 1 1 81 81 ILE N N 81 108.393 108.393 111.127 -2.734 19231 2193 1 4 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.027 0.657 19231 2194 1 4 . 1 1 81 81 ILE C C 81 174.986 174.986 176.528 -1.542 19231 2195 1 4 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.950 -0.804 19231 2196 1 4 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.520 0.692 19231 2197 1 4 . 1 1 81 81 ILE H H 81 8.162 8.162 7.619 0.543 19231 2198 1 4 . 1 1 82 82 GLY N N 82 113.636 113.636 109.715 3.921 19231 2199 1 4 . 1 1 82 82 GLY C C 82 175.419 175.419 175.053 0.366 19231 2200 1 4 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.858 -0.001 19231 2201 1 4 . 1 1 82 82 GLY H H 82 7.852 7.852 7.829 0.023 19231 2202 1 4 . 1 1 83 83 LYS N N 83 125.732 125.732 121.807 3.925 19231 2203 1 4 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.940 -0.210 19231 2204 1 4 . 1 1 83 83 LYS C C 83 178.177 178.177 178.348 -0.171 19231 2205 1 4 . 1 1 83 83 LYS CA C 83 59.922 59.922 59.047 0.875 19231 2206 1 4 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.930 0.436 19231 2207 1 4 . 1 1 83 83 LYS H H 83 8.511 8.511 7.930 0.581 19231 2208 1 4 . 1 1 84 84 SER N N 84 110.852 110.852 116.888 -6.036 19231 2209 1 4 . 1 1 84 84 SER HA H 84 4.346 4.346 4.158 0.188 19231 2210 1 4 . 1 1 84 84 SER C C 84 175.008 175.008 175.950 -0.942 19231 2211 1 4 . 1 1 84 84 SER CA C 84 58.935 58.935 61.328 -2.393 19231 2212 1 4 . 1 1 84 84 SER CB C 84 63.140 63.140 62.463 0.677 19231 2213 1 4 . 1 1 84 84 SER H H 84 8.438 8.438 8.371 0.067 19231 2214 1 4 . 1 1 85 85 ARG N N 85 118.561 118.561 117.535 1.026 19231 2215 1 4 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.408 -0.178 19231 2216 1 4 . 1 1 85 85 ARG C C 85 176.208 176.208 175.420 0.788 19231 2217 1 4 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.668 1.488 19231 2218 1 4 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.131 0.257 19231 2219 1 4 . 1 1 85 85 ARG H H 85 7.656 7.656 7.821 -0.165 19231 2220 1 4 . 1 1 86 86 ILE N N 86 113.200 113.200 117.821 -4.621 19231 2221 1 4 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.272 0.623 19231 2222 1 4 . 1 1 86 86 ILE C C 86 175.573 175.573 174.733 0.840 19231 2223 1 4 . 1 1 86 86 ILE CA C 86 59.461 59.461 59.951 -0.490 19231 2224 1 4 . 1 1 86 86 ILE CB C 86 39.188 39.188 41.758 -2.570 19231 2225 1 4 . 1 1 86 86 ILE H H 86 6.880 6.880 7.817 -0.937 19231 2226 1 4 . 1 1 87 87 ARG N N 87 128.727 128.727 124.103 4.624 19231 2227 1 4 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.735 0.062 19231 2228 1 4 . 1 1 87 87 ARG C C 87 176.501 176.501 175.314 1.187 19231 2229 1 4 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.530 -0.866 19231 2230 1 4 . 1 1 87 87 ARG CB C 87 32.011 32.011 31.595 0.416 19231 2231 1 4 . 1 1 87 87 ARG H H 87 9.786 9.786 8.838 0.948 19231 2232 1 4 . 1 1 88 88 THR N N 88 122.821 122.821 115.824 6.997 19231 2233 1 4 . 1 1 88 88 THR HA H 88 4.138 4.138 4.071 0.067 19231 2234 1 4 . 1 1 88 88 THR C C 88 173.802 173.802 174.528 -0.726 19231 2235 1 4 . 1 1 88 88 THR CA C 88 63.514 63.514 62.417 1.097 19231 2236 1 4 . 1 1 88 88 THR CB C 88 68.908 68.908 69.309 -0.401 19231 2237 1 4 . 1 1 88 88 THR H H 88 9.421 9.421 8.509 0.912 19231 2238 1 4 . 1 1 89 89 VAL N N 89 130.400 130.400 126.381 4.019 19231 2239 1 4 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.055 0.125 19231 2240 1 4 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.124 0.254 19231 2241 1 4 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.166 -1.280 19231 2242 1 4 . 1 1 89 89 VAL H H 89 8.400 8.400 7.604 0.796 19231 2243 1 4 . 1 1 91 91 GLY C C 91 173.530 173.530 173.935 -0.405 19231 2244 1 4 . 1 1 91 91 GLY CA C 91 45.525 45.525 46.141 -0.616 19231 2245 1 4 . 1 1 92 92 PHE N N 92 119.601 119.601 119.256 0.345 19231 2246 1 4 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.846 -0.405 19231 2247 1 4 . 1 1 92 92 PHE C C 92 174.744 174.744 173.527 1.217 19231 2248 1 4 . 1 1 92 92 PHE CA C 92 60.054 60.054 56.732 3.322 19231 2249 1 4 . 1 1 92 92 PHE CB C 92 43.433 43.433 39.487 3.946 19231 2250 1 4 . 1 1 92 92 PHE H H 92 8.332 8.332 7.869 0.463 19231 2251 1 4 . 1 1 93 93 GLY N N 93 105.445 105.445 107.650 -2.205 19231 2252 1 4 . 1 1 93 93 GLY C C 93 171.776 171.776 171.380 0.396 19231 2253 1 4 . 1 1 93 93 GLY CA C 93 46.715 46.715 45.523 1.192 19231 2254 1 4 . 1 1 93 93 GLY H H 93 8.377 8.377 7.217 1.160 19231 2255 1 4 . 1 1 94 94 TYR N N 94 122.471 122.471 116.682 5.789 19231 2256 1 4 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.758 0.672 19231 2257 1 4 . 1 1 94 94 TYR C C 94 172.889 172.889 173.669 -0.780 19231 2258 1 4 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.542 -0.173 19231 2259 1 4 . 1 1 94 94 TYR CB C 94 44.052 44.052 44.035 0.016 19231 2260 1 4 . 1 1 94 94 TYR H H 94 8.475 8.475 7.857 0.618 19231 2261 1 4 . 1 1 95 95 MET N N 95 118.643 118.643 118.551 0.092 19231 2262 1 4 . 1 1 95 95 MET HA H 95 4.890 4.890 4.794 0.096 19231 2263 1 4 . 1 1 95 95 MET C C 95 173.438 173.438 173.698 -0.260 19231 2264 1 4 . 1 1 95 95 MET CA C 95 54.125 54.125 55.442 -1.317 19231 2265 1 4 . 1 1 95 95 MET CB C 95 39.364 39.364 36.620 2.744 19231 2266 1 4 . 1 1 95 95 MET H H 95 8.936 8.936 8.396 0.540 19231 2267 1 4 . 1 1 96 96 LEU N N 96 130.194 130.194 125.468 4.726 19231 2268 1 4 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.494 0.586 19231 2269 1 4 . 1 1 96 96 LEU C C 96 174.912 174.912 176.143 -1.231 19231 2270 1 4 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.295 -0.813 19231 2271 1 4 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.689 1.067 19231 2272 1 4 . 1 1 96 96 LEU H H 96 9.848 9.848 8.796 1.052 19231 2273 1 4 . 1 1 97 97 ALA N N 97 131.168 131.168 126.464 4.704 19231 2274 1 4 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.256 0.080 19231 2275 1 4 . 1 1 97 97 ALA C C 97 176.560 176.560 176.446 0.114 19231 2276 1 4 . 1 1 97 97 ALA CA C 97 51.895 51.895 51.870 0.025 19231 2277 1 4 . 1 1 97 97 ALA CB C 97 20.011 20.011 18.840 1.171 19231 2278 1 4 . 1 1 97 97 ALA H H 97 8.681 8.681 8.393 0.288 19231 2279 1 4 . 1 1 98 98 ASN N N 98 118.268 118.268 123.412 -5.144 19231 2280 1 4 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.485 0.195 19231 2281 1 4 . 1 1 98 98 ASN C C 98 174.939 174.939 174.812 0.127 19231 2282 1 4 . 1 1 98 98 ASN CA C 98 52.429 52.429 52.928 -0.499 19231 2283 1 4 . 1 1 98 98 ASN CB C 98 38.912 38.912 39.046 -0.134 19231 2284 1 4 . 1 1 98 98 ASN H H 98 8.654 8.654 8.058 0.596 19231 2285 1 4 . 1 1 99 99 ASN N N 99 117.488 117.488 117.681 -0.193 19231 2286 1 4 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.419 0.381 19231 2287 1 4 . 1 1 99 99 ASN C C 99 174.744 174.744 175.293 -0.549 19231 2288 1 4 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.916 -0.868 19231 2289 1 4 . 1 1 99 99 ASN CB C 99 39.039 39.039 38.000 1.039 19231 2290 1 4 . 1 1 99 99 ASN H H 99 8.131 8.131 8.669 -0.538 19231 2291 1 4 . 1 1 100 100 ILE N N 100 118.881 118.881 121.607 -2.726 19231 2292 1 4 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.981 0.259 19231 2293 1 4 . 1 1 100 100 ILE C C 100 175.769 175.769 176.875 -1.106 19231 2294 1 4 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.644 -1.640 19231 2295 1 4 . 1 1 100 100 ILE CB C 100 38.679 38.679 36.430 2.249 19231 2296 1 4 . 1 1 100 100 ILE H H 100 8.139 8.139 8.829 -0.690 19231 2297 1 4 . 1 1 101 101 ASP N N 101 123.516 123.516 117.007 6.509 19231 2298 1 4 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.555 0.165 19231 2299 1 4 . 1 1 101 101 ASP C C 101 176.210 176.210 176.507 -0.297 19231 2300 1 4 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.787 -0.274 19231 2301 1 4 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.988 0.233 19231 2302 1 4 . 1 1 101 101 ASP H H 101 8.426 8.426 8.261 0.166 19231 2303 1 4 . 1 1 102 102 THR N N 102 113.358 113.358 114.683 -1.325 19231 2304 1 4 . 1 1 102 102 THR HA H 102 4.360 4.360 4.386 -0.026 19231 2305 1 4 . 1 1 102 102 THR C C 102 173.733 173.733 172.109 1.624 19231 2306 1 4 . 1 1 102 102 THR CA C 102 61.477 61.477 61.920 -0.443 19231 2307 1 4 . 1 1 102 102 THR CB C 102 69.788 69.788 70.386 -0.598 19231 2308 1 4 . 1 1 102 102 THR H H 102 8.045 8.045 7.581 0.464 19231 2309 1 5 . 1 1 2 2 GLN N N 2 121.990 121.990 121.849 0.141 19231 2310 1 5 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.310 0.027 19231 2311 1 5 . 1 1 2 2 GLN C C 2 176.320 176.320 176.485 -0.165 19231 2312 1 5 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.501 -0.206 19231 2313 1 5 . 1 1 2 2 GLN CB C 2 29.270 29.270 26.775 2.495 19231 2314 1 5 . 1 1 2 2 GLN H H 2 8.705 8.705 8.258 0.447 19231 2315 1 5 . 1 1 3 3 GLY N N 3 110.481 110.481 109.921 0.560 19231 2316 1 5 . 1 1 3 3 GLY C C 3 174.116 174.116 173.164 0.952 19231 2317 1 5 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.339 -0.224 19231 2318 1 5 . 1 1 3 3 GLY H H 3 8.540 8.540 8.734 -0.194 19231 2319 1 5 . 1 1 4 4 ASP N N 4 120.750 120.750 116.011 4.739 19231 2320 1 5 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.774 -0.133 19231 2321 1 5 . 1 1 4 4 ASP C C 4 175.974 175.974 173.396 2.578 19231 2322 1 5 . 1 1 4 4 ASP CA C 4 54.456 54.456 52.845 1.611 19231 2323 1 5 . 1 1 4 4 ASP CB C 4 41.190 41.190 41.944 -0.755 19231 2324 1 5 . 1 1 4 4 ASP H H 4 8.251 8.251 7.762 0.489 19231 2325 1 5 . 1 1 5 5 ASN N N 5 118.421 118.421 116.970 1.451 19231 2326 1 5 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.753 0.008 19231 2327 1 5 . 1 1 5 5 ASN C C 5 174.017 174.017 172.802 1.215 19231 2328 1 5 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.875 -0.521 19231 2329 1 5 . 1 1 5 5 ASN CB C 5 38.936 38.936 39.923 -0.987 19231 2330 1 5 . 1 1 5 5 ASN H H 5 8.513 8.513 8.497 0.016 19231 2331 1 5 . 1 1 6 6 GLU N N 6 120.905 120.905 122.093 -1.188 19231 2332 1 5 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.847 0.625 19231 2333 1 5 . 1 1 6 6 GLU C C 6 175.808 175.808 174.630 1.178 19231 2334 1 5 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.637 -0.542 19231 2335 1 5 . 1 1 6 6 GLU CB C 6 33.013 33.013 32.927 0.086 19231 2336 1 5 . 1 1 6 6 GLU H H 6 8.116 8.116 8.270 -0.154 19231 2337 1 5 . 1 1 7 7 ILE N N 7 122.567 122.567 115.383 7.184 19231 2338 1 5 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.765 -0.231 19231 2339 1 5 . 1 1 7 7 ILE C C 7 174.653 174.653 174.062 0.591 19231 2340 1 5 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.404 0.709 19231 2341 1 5 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.710 -0.368 19231 2342 1 5 . 1 1 7 7 ILE H H 7 8.966 8.966 8.268 0.698 19231 2343 1 5 . 1 1 8 8 SER N N 8 120.446 120.446 117.379 3.067 19231 2344 1 5 . 1 1 8 8 SER HA H 8 5.536 5.536 5.583 -0.047 19231 2345 1 5 . 1 1 8 8 SER C C 8 174.082 174.082 173.574 0.508 19231 2346 1 5 . 1 1 8 8 SER CA C 8 57.050 57.050 57.117 -0.067 19231 2347 1 5 . 1 1 8 8 SER CB C 8 65.470 65.470 66.660 -1.190 19231 2348 1 5 . 1 1 8 8 SER H H 8 8.773 8.773 8.294 0.479 19231 2349 1 5 . 1 1 9 9 VAL N N 9 124.896 124.896 121.753 3.143 19231 2350 1 5 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.299 -0.109 19231 2351 1 5 . 1 1 9 9 VAL C C 9 176.141 176.141 175.976 0.165 19231 2352 1 5 . 1 1 9 9 VAL CA C 9 61.298 61.298 62.145 -0.847 19231 2353 1 5 . 1 1 9 9 VAL CB C 9 33.763 33.763 33.129 0.634 19231 2354 1 5 . 1 1 9 9 VAL H H 9 8.874 8.874 8.750 0.124 19231 2355 1 5 . 1 1 10 10 GLY N N 10 117.992 117.992 117.256 0.736 19231 2356 1 5 . 1 1 10 10 GLY C C 10 174.785 174.785 174.350 0.435 19231 2357 1 5 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.775 0.555 19231 2358 1 5 . 1 1 10 10 GLY H H 10 9.114 9.114 8.634 0.480 19231 2359 1 5 . 1 1 11 11 ASN N N 11 124.908 124.908 122.918 1.990 19231 2360 1 5 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.750 -0.062 19231 2361 1 5 . 1 1 11 11 ASN C C 11 174.765 174.765 174.661 0.104 19231 2362 1 5 . 1 1 11 11 ASN CA C 11 52.878 52.878 53.194 -0.316 19231 2363 1 5 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.276 -1.999 19231 2364 1 5 . 1 1 11 11 ASN H H 11 8.609 8.609 8.513 0.096 19231 2365 1 5 . 1 1 12 12 LEU N N 12 123.550 123.550 122.086 1.464 19231 2366 1 5 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.008 0.407 19231 2367 1 5 . 1 1 12 12 LEU C C 12 175.653 175.653 175.783 -0.130 19231 2368 1 5 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.222 -0.285 19231 2369 1 5 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.942 1.496 19231 2370 1 5 . 1 1 12 12 LEU H H 12 8.256 8.256 7.428 0.828 19231 2371 1 5 . 1 1 13 13 ARG N N 13 124.719 124.719 123.034 1.685 19231 2372 1 5 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.993 0.234 19231 2373 1 5 . 1 1 13 13 ARG C C 13 173.394 173.394 174.525 -1.131 19231 2374 1 5 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.153 -0.136 19231 2375 1 5 . 1 1 13 13 ARG CB C 13 34.507 34.507 33.230 1.278 19231 2376 1 5 . 1 1 13 13 ARG H H 13 9.169 9.169 8.258 0.911 19231 2377 1 5 . 1 1 14 14 LEU N N 14 127.743 127.743 125.441 2.302 19231 2378 1 5 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.769 0.547 19231 2379 1 5 . 1 1 14 14 LEU C C 14 174.807 174.807 174.841 -0.034 19231 2380 1 5 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.774 0.042 19231 2381 1 5 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.975 -0.169 19231 2382 1 5 . 1 1 14 14 LEU H H 14 9.394 9.394 9.179 0.215 19231 2383 1 5 . 1 1 15 15 ASN N N 15 125.577 125.577 123.805 1.772 19231 2384 1 5 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.142 0.265 19231 2385 1 5 . 1 1 15 15 ASN C C 15 175.621 175.621 175.384 0.237 19231 2386 1 5 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.917 -0.874 19231 2387 1 5 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.803 0.264 19231 2388 1 5 . 1 1 15 15 ASN H H 15 9.520 9.520 8.644 0.876 19231 2389 1 5 . 1 1 16 16 VAL N N 16 123.478 123.478 124.689 -1.211 19231 2390 1 5 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.874 0.206 19231 2391 1 5 . 1 1 16 16 VAL C C 16 177.902 177.902 177.231 0.671 19231 2392 1 5 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.202 -0.788 19231 2393 1 5 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.844 0.360 19231 2394 1 5 . 1 1 16 16 VAL H H 16 8.759 8.759 8.286 0.473 19231 2395 1 5 . 1 1 17 17 THR N N 17 117.004 117.004 115.028 1.976 19231 2396 1 5 . 1 1 17 17 THR HA H 17 4.340 4.340 3.990 0.350 19231 2397 1 5 . 1 1 17 17 THR C C 17 176.177 176.177 175.481 0.696 19231 2398 1 5 . 1 1 17 17 THR CA C 17 65.922 65.922 65.253 0.669 19231 2399 1 5 . 1 1 17 17 THR CB C 17 68.899 68.899 69.072 -0.173 19231 2400 1 5 . 1 1 17 17 THR H H 17 8.045 8.045 7.706 0.339 19231 2401 1 5 . 1 1 18 18 ARG N N 18 117.565 117.565 118.255 -0.690 19231 2402 1 5 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.376 -0.178 19231 2403 1 5 . 1 1 18 18 ARG C C 18 174.802 174.802 175.810 -1.008 19231 2404 1 5 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.314 0.291 19231 2405 1 5 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.418 0.807 19231 2406 1 5 . 1 1 18 18 ARG H H 18 8.035 8.035 8.235 -0.200 19231 2407 1 5 . 1 1 19 19 ARG N N 19 117.471 117.471 119.006 -1.535 19231 2408 1 5 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.418 0.496 19231 2409 1 5 . 1 1 19 19 ARG C C 19 174.359 174.359 174.164 0.195 19231 2410 1 5 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.236 0.251 19231 2411 1 5 . 1 1 19 19 ARG CB C 19 26.248 26.248 28.279 -2.031 19231 2412 1 5 . 1 1 19 19 ARG H H 19 7.877 7.877 7.740 0.137 19231 2413 1 5 . 1 1 20 20 LEU N N 20 118.701 118.701 120.844 -2.143 19231 2414 1 5 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.560 -0.030 19231 2415 1 5 . 1 1 20 20 LEU C C 20 174.619 174.619 173.629 0.990 19231 2416 1 5 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.702 -0.848 19231 2417 1 5 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.796 0.451 19231 2418 1 5 . 1 1 20 20 LEU H H 20 7.565 7.565 8.153 -0.588 19231 2419 1 5 . 1 1 21 21 VAL N N 21 120.636 120.636 119.793 0.843 19231 2420 1 5 . 1 1 21 21 VAL HA H 21 5.197 5.197 4.858 0.339 19231 2421 1 5 . 1 1 21 21 VAL C C 21 174.036 174.036 174.577 -0.541 19231 2422 1 5 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.232 -0.361 19231 2423 1 5 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.843 -0.395 19231 2424 1 5 . 1 1 21 21 VAL H H 21 8.466 8.466 8.307 0.159 19231 2425 1 5 . 1 1 22 22 TRP N N 22 126.709 126.709 125.756 0.953 19231 2426 1 5 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.149 -0.019 19231 2427 1 5 . 1 1 22 22 TRP C C 22 174.877 174.877 174.926 -0.049 19231 2428 1 5 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.287 0.780 19231 2429 1 5 . 1 1 22 22 TRP CB C 22 33.137 33.137 32.563 0.574 19231 2430 1 5 . 1 1 22 22 TRP H H 22 9.596 9.596 8.639 0.957 19231 2431 1 5 . 1 1 23 23 LEU N N 23 123.443 123.443 124.768 -1.325 19231 2432 1 5 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.688 0.346 19231 2433 1 5 . 1 1 23 23 LEU C C 23 177.552 177.552 176.964 0.588 19231 2434 1 5 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.186 0.241 19231 2435 1 5 . 1 1 23 23 LEU CB C 23 43.922 43.922 42.941 0.981 19231 2436 1 5 . 1 1 23 23 LEU H H 23 8.834 8.834 8.990 -0.156 19231 2437 1 5 . 1 1 24 24 GLY N N 24 117.546 117.546 117.995 -0.449 19231 2438 1 5 . 1 1 24 24 GLY C C 24 174.915 174.915 174.980 -0.065 19231 2439 1 5 . 1 1 24 24 GLY CA C 24 47.220 47.220 46.867 0.353 19231 2440 1 5 . 1 1 24 24 GLY H H 24 9.401 9.401 8.658 0.743 19231 2441 1 5 . 1 1 25 25 GLU N N 25 124.565 124.565 121.714 2.851 19231 2442 1 5 . 1 1 25 25 GLU HA H 25 4.328 4.328 4.551 -0.223 19231 2443 1 5 . 1 1 25 25 GLU C C 25 176.350 176.350 174.876 1.474 19231 2444 1 5 . 1 1 25 25 GLU CA C 25 56.400 56.400 55.775 0.625 19231 2445 1 5 . 1 1 25 25 GLU CB C 25 29.811 29.811 31.744 -1.933 19231 2446 1 5 . 1 1 25 25 GLU H H 25 9.051 9.051 8.649 0.402 19231 2447 1 5 . 1 1 26 26 THR N N 26 117.538 117.538 112.985 4.553 19231 2448 1 5 . 1 1 26 26 THR HA H 26 4.305 4.305 4.702 -0.397 19231 2449 1 5 . 1 1 26 26 THR C C 26 173.226 173.226 173.207 0.019 19231 2450 1 5 . 1 1 26 26 THR CA C 26 62.118 62.118 61.082 1.036 19231 2451 1 5 . 1 1 26 26 THR CB C 26 70.399 70.399 71.717 -1.318 19231 2452 1 5 . 1 1 26 26 THR H H 26 8.140 8.140 7.795 0.345 19231 2453 1 5 . 1 1 27 27 ALA N N 27 131.183 131.183 127.976 3.207 19231 2454 1 5 . 1 1 27 27 ALA HA H 27 4.090 4.090 4.248 -0.158 19231 2455 1 5 . 1 1 27 27 ALA C C 27 177.483 177.483 176.893 0.590 19231 2456 1 5 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.430 0.004 19231 2457 1 5 . 1 1 27 27 ALA CB C 27 17.915 17.915 19.167 -1.252 19231 2458 1 5 . 1 1 27 27 ALA H H 27 8.937 8.937 8.660 0.277 19231 2459 1 5 . 1 1 28 28 LEU N N 28 124.160 124.160 126.038 -1.878 19231 2460 1 5 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.416 -0.080 19231 2461 1 5 . 1 1 28 28 LEU C C 28 176.114 176.114 175.974 0.140 19231 2462 1 5 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.760 -1.154 19231 2463 1 5 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.686 -0.364 19231 2464 1 5 . 1 1 28 28 LEU H H 28 8.663 8.663 8.344 0.319 19231 2465 1 5 . 1 1 29 29 ASP N N 29 124.715 124.715 125.691 -0.976 19231 2466 1 5 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.839 -0.129 19231 2467 1 5 . 1 1 29 29 ASP C C 29 174.721 174.721 175.157 -0.436 19231 2468 1 5 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.283 0.041 19231 2469 1 5 . 1 1 29 29 ASP CB C 29 40.336 40.336 41.027 -0.691 19231 2470 1 5 . 1 1 29 29 ASP H H 29 8.690 8.690 8.496 0.194 19231 2471 1 5 . 1 1 30 30 LEU N N 30 123.472 123.472 120.731 2.741 19231 2472 1 5 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.834 -0.003 19231 2473 1 5 . 1 1 30 30 LEU C C 30 177.944 177.944 176.764 1.180 19231 2474 1 5 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.273 -0.336 19231 2475 1 5 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.774 -0.794 19231 2476 1 5 . 1 1 30 30 LEU H H 30 7.969 7.969 8.025 -0.056 19231 2477 1 5 . 1 1 31 31 THR N N 31 115.969 115.969 112.675 3.294 19231 2478 1 5 . 1 1 31 31 THR HA H 31 4.700 4.700 4.426 0.274 19231 2479 1 5 . 1 1 31 31 THR C C 31 173.645 173.645 174.900 -1.255 19231 2480 1 5 . 1 1 31 31 THR CA C 31 60.704 60.704 60.741 -0.037 19231 2481 1 5 . 1 1 31 31 THR CB C 31 67.869 67.869 68.721 -0.852 19231 2482 1 5 . 1 1 31 31 THR H H 31 8.864 8.864 8.606 0.258 19231 2483 1 5 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.076 0.204 19231 2484 1 5 . 1 1 32 32 PRO C C 32 178.657 178.657 178.591 0.066 19231 2485 1 5 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.998 0.506 19231 2486 1 5 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.836 0.143 19231 2487 1 5 . 1 1 33 33 LYS N N 33 116.417 116.417 116.430 -0.013 19231 2488 1 5 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.022 -0.098 19231 2489 1 5 . 1 1 33 33 LYS C C 33 178.084 178.084 178.925 -0.841 19231 2490 1 5 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.519 0.146 19231 2491 1 5 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.754 0.818 19231 2492 1 5 . 1 1 33 33 LYS H H 33 8.044 8.044 8.420 -0.376 19231 2493 1 5 . 1 1 34 34 GLU N N 34 118.272 118.272 119.269 -0.997 19231 2494 1 5 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.950 -0.330 19231 2495 1 5 . 1 1 34 34 GLU C C 34 178.512 178.512 178.462 0.050 19231 2496 1 5 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.423 0.120 19231 2497 1 5 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.631 0.890 19231 2498 1 5 . 1 1 34 34 GLU H H 34 7.376 7.376 7.629 -0.253 19231 2499 1 5 . 1 1 35 35 TYR N N 35 118.351 118.351 119.513 -1.162 19231 2500 1 5 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.096 -0.399 19231 2501 1 5 . 1 1 35 35 TYR C C 35 177.597 177.597 176.883 0.714 19231 2502 1 5 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.063 1.238 19231 2503 1 5 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.052 -0.118 19231 2504 1 5 . 1 1 35 35 TYR H H 35 8.950 8.950 7.541 1.409 19231 2505 1 5 . 1 1 36 36 ALA N N 36 123.913 123.913 122.283 1.630 19231 2506 1 5 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.064 -0.321 19231 2507 1 5 . 1 1 36 36 ALA C C 36 180.061 180.061 179.161 0.900 19231 2508 1 5 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.121 0.292 19231 2509 1 5 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.192 -0.130 19231 2510 1 5 . 1 1 36 36 ALA H H 36 8.147 8.147 7.705 0.442 19231 2511 1 5 . 1 1 37 37 LEU N N 37 116.924 116.924 119.537 -2.613 19231 2512 1 5 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.032 -0.122 19231 2513 1 5 . 1 1 37 37 LEU C C 37 177.760 177.760 179.246 -1.486 19231 2514 1 5 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.886 -0.550 19231 2515 1 5 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.329 1.714 19231 2516 1 5 . 1 1 37 37 LEU H H 37 7.651 7.651 7.451 0.200 19231 2517 1 5 . 1 1 38 38 LEU N N 38 118.232 118.232 120.371 -2.139 19231 2518 1 5 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.764 0.106 19231 2519 1 5 . 1 1 38 38 LEU C C 38 178.524 178.524 178.039 0.485 19231 2520 1 5 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.238 -0.841 19231 2521 1 5 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.414 -0.285 19231 2522 1 5 . 1 1 38 38 LEU H H 38 8.550 8.550 8.703 -0.153 19231 2523 1 5 . 1 1 39 39 SER N N 39 113.045 113.045 114.503 -1.458 19231 2524 1 5 . 1 1 39 39 SER HA H 39 3.700 3.700 3.959 -0.259 19231 2525 1 5 . 1 1 39 39 SER C C 39 175.854 175.854 176.987 -1.133 19231 2526 1 5 . 1 1 39 39 SER CA C 39 62.126 62.126 61.899 0.227 19231 2527 1 5 . 1 1 39 39 SER CB C 39 68.227 68.227 62.358 5.869 19231 2528 1 5 . 1 1 39 39 SER H H 39 8.540 8.540 8.236 0.304 19231 2529 1 5 . 1 1 40 40 ARG N N 40 121.521 121.521 121.584 -0.063 19231 2530 1 5 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.133 -0.123 19231 2531 1 5 . 1 1 40 40 ARG C C 40 178.731 178.731 178.166 0.565 19231 2532 1 5 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.583 -0.272 19231 2533 1 5 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.731 -1.206 19231 2534 1 5 . 1 1 40 40 ARG H H 40 7.112 7.112 8.198 -1.086 19231 2535 1 5 . 1 1 41 41 LEU N N 41 115.939 115.939 119.390 -3.451 19231 2536 1 5 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.916 0.076 19231 2537 1 5 . 1 1 41 41 LEU C C 41 180.049 180.049 178.603 1.446 19231 2538 1 5 . 1 1 41 41 LEU CA C 41 57.836 57.836 57.834 0.002 19231 2539 1 5 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.717 0.299 19231 2540 1 5 . 1 1 41 41 LEU H H 41 7.960 7.960 7.277 0.683 19231 2541 1 5 . 1 1 42 42 MET N N 42 116.335 116.335 115.347 0.988 19231 2542 1 5 . 1 1 42 42 MET HA H 42 3.877 3.877 4.117 -0.240 19231 2543 1 5 . 1 1 42 42 MET C C 42 178.748 178.748 179.018 -0.270 19231 2544 1 5 . 1 1 42 42 MET CA C 42 59.530 59.530 57.167 2.363 19231 2545 1 5 . 1 1 42 42 MET CB C 42 33.449 33.449 32.074 1.375 19231 2546 1 5 . 1 1 42 42 MET H H 42 8.825 8.825 7.640 1.185 19231 2547 1 5 . 1 1 43 43 MET N N 43 119.000 119.000 119.139 -0.139 19231 2548 1 5 . 1 1 43 43 MET HA H 43 4.137 4.137 4.220 -0.083 19231 2549 1 5 . 1 1 43 43 MET C C 43 176.813 176.813 176.470 0.343 19231 2550 1 5 . 1 1 43 43 MET CA C 43 58.405 58.405 58.451 -0.046 19231 2551 1 5 . 1 1 43 43 MET CB C 43 32.382 32.382 32.854 -0.472 19231 2552 1 5 . 1 1 43 43 MET H H 43 8.250 8.250 7.449 0.801 19231 2553 1 5 . 1 1 44 44 LYS N N 44 117.715 117.715 117.377 0.338 19231 2554 1 5 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.506 0.125 19231 2555 1 5 . 1 1 44 44 LYS C C 44 175.226 175.226 174.923 0.303 19231 2556 1 5 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.694 -1.868 19231 2557 1 5 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.261 -0.790 19231 2558 1 5 . 1 1 44 44 LYS H H 44 7.088 7.088 7.312 -0.224 19231 2559 1 5 . 1 1 45 45 ALA N N 45 122.613 122.613 122.007 0.606 19231 2560 1 5 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.293 0.026 19231 2561 1 5 . 1 1 45 45 ALA C C 45 178.994 178.994 178.256 0.738 19231 2562 1 5 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.643 1.031 19231 2563 1 5 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.763 0.634 19231 2564 1 5 . 1 1 45 45 ALA H H 45 6.952 6.952 7.642 -0.690 19231 2565 1 5 . 1 1 46 46 GLY N N 46 109.561 109.561 111.559 -1.998 19231 2566 1 5 . 1 1 46 46 GLY C C 46 173.547 173.547 174.176 -0.629 19231 2567 1 5 . 1 1 46 46 GLY CA C 46 45.466 45.466 44.992 0.474 19231 2568 1 5 . 1 1 46 46 GLY H H 46 8.944 8.944 8.758 0.186 19231 2569 1 5 . 1 1 47 47 SER N N 47 116.886 116.886 115.854 1.032 19231 2570 1 5 . 1 1 47 47 SER HA H 47 5.130 5.130 4.956 0.174 19231 2571 1 5 . 1 1 47 47 SER C C 47 170.481 170.481 171.932 -1.451 19231 2572 1 5 . 1 1 47 47 SER CA C 47 55.988 55.988 55.108 0.880 19231 2573 1 5 . 1 1 47 47 SER CB C 47 65.098 65.098 64.581 0.517 19231 2574 1 5 . 1 1 47 47 SER H H 47 8.759 8.759 7.708 1.051 19231 2575 1 5 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.852 -0.434 19231 2576 1 5 . 1 1 48 48 PRO C C 48 175.854 175.854 176.331 -0.477 19231 2577 1 5 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.592 -0.146 19231 2578 1 5 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.090 0.819 19231 2579 1 5 . 1 1 49 49 VAL N N 49 124.173 124.173 125.054 -0.881 19231 2580 1 5 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.273 0.138 19231 2581 1 5 . 1 1 49 49 VAL C C 49 175.186 175.186 175.501 -0.315 19231 2582 1 5 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.958 0.501 19231 2583 1 5 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.555 -0.059 19231 2584 1 5 . 1 1 49 49 VAL H H 49 9.235 9.235 9.006 0.229 19231 2585 1 5 . 1 1 50 50 HIS N N 50 128.035 128.035 126.249 1.786 19231 2586 1 5 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.316 -0.746 19231 2587 1 5 . 1 1 50 50 HIS C C 50 177.130 177.130 176.026 1.104 19231 2588 1 5 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.454 2.999 19231 2589 1 5 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.815 0.727 19231 2590 1 5 . 1 1 50 50 HIS H H 50 8.791 8.791 8.856 -0.065 19231 2591 1 5 . 1 1 51 51 ARG N N 51 125.631 125.631 126.074 -0.443 19231 2592 1 5 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.889 -0.009 19231 2593 1 5 . 1 1 51 51 ARG C C 51 176.786 176.786 177.434 -0.648 19231 2594 1 5 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.337 0.742 19231 2595 1 5 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.733 0.417 19231 2596 1 5 . 1 1 51 51 ARG H H 51 8.544 8.544 8.508 0.036 19231 2597 1 5 . 1 1 52 52 GLU N N 52 120.964 120.964 119.946 1.018 19231 2598 1 5 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.971 0.109 19231 2599 1 5 . 1 1 52 52 GLU C C 52 179.334 179.334 178.279 1.055 19231 2600 1 5 . 1 1 52 52 GLU CA C 52 59.769 59.769 59.080 0.689 19231 2601 1 5 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.998 0.230 19231 2602 1 5 . 1 1 52 52 GLU H H 52 10.831 10.831 7.602 3.229 19231 2603 1 5 . 1 1 53 53 ILE N N 53 119.337 119.337 119.219 0.118 19231 2604 1 5 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.784 0.087 19231 2605 1 5 . 1 1 53 53 ILE C C 53 178.080 178.080 178.295 -0.215 19231 2606 1 5 . 1 1 53 53 ILE CA C 53 63.110 63.110 63.581 -0.471 19231 2607 1 5 . 1 1 53 53 ILE CB C 53 37.496 37.496 36.517 0.979 19231 2608 1 5 . 1 1 53 53 ILE H H 53 7.239 7.239 7.879 -0.640 19231 2609 1 5 . 1 1 54 54 LEU N N 54 118.502 118.502 119.593 -1.091 19231 2610 1 5 . 1 1 54 54 LEU HA H 54 4.160 4.160 3.862 0.298 19231 2611 1 5 . 1 1 54 54 LEU C C 54 178.676 178.676 179.239 -0.563 19231 2612 1 5 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.874 -0.800 19231 2613 1 5 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.046 0.277 19231 2614 1 5 . 1 1 54 54 LEU H H 54 7.198 7.198 7.235 -0.037 19231 2615 1 5 . 1 1 55 55 TYR N N 55 117.114 117.114 118.312 -1.198 19231 2616 1 5 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.123 0.012 19231 2617 1 5 . 1 1 55 55 TYR C C 55 177.987 177.987 178.304 -0.317 19231 2618 1 5 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.926 -0.789 19231 2619 1 5 . 1 1 55 55 TYR CB C 55 38.107 38.107 37.919 0.188 19231 2620 1 5 . 1 1 55 55 TYR H H 55 8.872 8.872 7.689 1.183 19231 2621 1 5 . 1 1 56 56 ASN N N 56 116.720 116.720 116.365 0.355 19231 2622 1 5 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.625 -0.140 19231 2623 1 5 . 1 1 56 56 ASN C C 56 177.439 177.439 176.574 0.865 19231 2624 1 5 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.599 0.414 19231 2625 1 5 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.218 0.072 19231 2626 1 5 . 1 1 56 56 ASN H H 56 7.796 7.796 8.281 -0.485 19231 2627 1 5 . 1 1 57 57 ASP N N 57 118.532 118.532 120.667 -2.135 19231 2628 1 5 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.414 0.126 19231 2629 1 5 . 1 1 57 57 ASP C C 57 177.886 177.886 177.350 0.536 19231 2630 1 5 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.782 0.304 19231 2631 1 5 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.995 -0.115 19231 2632 1 5 . 1 1 57 57 ASP H H 57 7.842 7.842 7.749 0.093 19231 2633 1 5 . 1 1 58 58 ILE N N 58 109.975 109.975 117.179 -7.204 19231 2634 1 5 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.890 0.410 19231 2635 1 5 . 1 1 58 58 ILE C C 58 175.916 175.916 176.501 -0.585 19231 2636 1 5 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.448 -1.108 19231 2637 1 5 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.767 0.063 19231 2638 1 5 . 1 1 58 58 ILE H H 58 7.277 7.277 7.676 -0.399 19231 2639 1 5 . 1 1 59 59 TYR N N 59 122.761 122.761 117.722 5.039 19231 2640 1 5 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.728 -0.432 19231 2641 1 5 . 1 1 59 59 TYR C C 59 176.037 176.037 176.342 -0.305 19231 2642 1 5 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.955 2.215 19231 2643 1 5 . 1 1 59 59 TYR CB C 59 38.277 38.277 40.033 -1.756 19231 2644 1 5 . 1 1 59 59 TYR H H 59 7.788 7.788 8.191 -0.403 19231 2645 1 5 . 1 1 60 60 SER N N 60 117.350 117.350 111.754 5.596 19231 2646 1 5 . 1 1 60 60 SER HA H 60 4.292 4.292 4.724 -0.432 19231 2647 1 5 . 1 1 60 60 SER C C 60 174.206 174.206 173.900 0.306 19231 2648 1 5 . 1 1 60 60 SER CA C 60 57.976 57.976 58.964 -0.988 19231 2649 1 5 . 1 1 60 60 SER CB C 60 63.884 63.884 64.914 -1.030 19231 2650 1 5 . 1 1 60 60 SER H H 60 7.721 7.721 8.936 -1.215 19231 2651 1 5 . 1 1 61 61 TRP N N 61 122.170 122.170 123.651 -1.481 19231 2652 1 5 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.757 -0.280 19231 2653 1 5 . 1 1 61 61 TRP C C 61 175.798 175.798 175.506 0.292 19231 2654 1 5 . 1 1 61 61 TRP CA C 61 57.863 57.863 55.379 2.484 19231 2655 1 5 . 1 1 61 61 TRP CB C 61 28.826 28.826 28.025 0.801 19231 2656 1 5 . 1 1 61 61 TRP H H 61 7.990 7.990 8.177 -0.187 19231 2657 1 5 . 1 1 62 62 ASP N N 62 119.118 119.118 122.599 -3.481 19231 2658 1 5 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.063 0.377 19231 2659 1 5 . 1 1 62 62 ASP C C 62 175.559 175.559 176.063 -0.504 19231 2660 1 5 . 1 1 62 62 ASP CA C 62 53.811 53.811 54.071 -0.260 19231 2661 1 5 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.634 0.082 19231 2662 1 5 . 1 1 62 62 ASP H H 62 7.900 7.900 7.878 0.022 19231 2663 1 5 . 1 1 63 63 ASN N N 63 117.586 117.586 114.334 3.252 19231 2664 1 5 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.322 0.224 19231 2665 1 5 . 1 1 63 63 ASN C C 63 174.737 174.737 174.265 0.472 19231 2666 1 5 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.163 -1.005 19231 2667 1 5 . 1 1 63 63 ASN CB C 63 38.743 38.743 37.693 1.050 19231 2668 1 5 . 1 1 63 63 ASN H H 63 8.080 8.080 8.525 -0.445 19231 2669 1 5 . 1 1 64 64 GLU N N 64 121.831 121.831 119.402 2.429 19231 2670 1 5 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.228 0.352 19231 2671 1 5 . 1 1 64 64 GLU C C 64 174.706 174.706 174.664 0.042 19231 2672 1 5 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.226 -0.466 19231 2673 1 5 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.614 0.214 19231 2674 1 5 . 1 1 64 64 GLU H H 64 8.224 8.224 7.743 0.481 19231 2675 1 5 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.482 -0.088 19231 2676 1 5 . 1 1 65 65 PRO C C 65 177.312 177.312 176.763 0.549 19231 2677 1 5 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.567 1.257 19231 2678 1 5 . 1 1 65 65 PRO CB C 65 31.871 31.871 32.443 -0.572 19231 2679 1 5 . 1 1 66 66 ALA N N 66 122.755 122.755 123.737 -0.982 19231 2680 1 5 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.210 0.140 19231 2681 1 5 . 1 1 66 66 ALA C C 66 178.352 178.352 177.269 1.083 19231 2682 1 5 . 1 1 66 66 ALA CA C 66 52.848 52.848 52.191 0.656 19231 2683 1 5 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.630 0.456 19231 2684 1 5 . 1 1 66 66 ALA H H 66 8.465 8.465 8.362 0.103 19231 2685 1 5 . 1 1 67 67 THR N N 67 111.079 111.079 115.671 -4.592 19231 2686 1 5 . 1 1 67 67 THR HA H 67 4.287 4.287 4.176 0.111 19231 2687 1 5 . 1 1 67 67 THR C C 67 175.040 175.040 174.688 0.352 19231 2688 1 5 . 1 1 67 67 THR CA C 67 62.505 62.505 62.670 -0.165 19231 2689 1 5 . 1 1 67 67 THR CB C 67 69.187 69.187 69.097 0.089 19231 2690 1 5 . 1 1 67 67 THR H H 67 8.002 8.002 7.495 0.507 19231 2691 1 5 . 1 1 68 68 ASN N N 68 120.768 120.768 122.863 -2.095 19231 2692 1 5 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.467 0.512 19231 2693 1 5 . 1 1 68 68 ASN C C 68 175.250 175.250 174.902 0.348 19231 2694 1 5 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.031 -0.995 19231 2695 1 5 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.401 0.277 19231 2696 1 5 . 1 1 68 68 ASN H H 68 8.280 8.280 8.481 -0.201 19231 2697 1 5 . 1 1 69 69 THR N N 69 112.288 112.288 115.264 -2.976 19231 2698 1 5 . 1 1 69 69 THR HA H 69 4.480 4.480 4.271 0.209 19231 2699 1 5 . 1 1 69 69 THR C C 69 175.830 175.830 174.369 1.461 19231 2700 1 5 . 1 1 69 69 THR CA C 69 62.328 62.328 62.953 -0.625 19231 2701 1 5 . 1 1 69 69 THR CB C 69 69.927 69.927 69.663 0.264 19231 2702 1 5 . 1 1 69 69 THR H H 69 7.691 7.691 7.838 -0.147 19231 2703 1 5 . 1 1 70 70 LEU N N 70 123.384 123.384 122.760 0.624 19231 2704 1 5 . 1 1 70 70 LEU HA H 70 4.080 4.080 3.882 0.198 19231 2705 1 5 . 1 1 70 70 LEU C C 70 177.457 177.457 178.091 -0.634 19231 2706 1 5 . 1 1 70 70 LEU CA C 70 58.608 58.608 57.240 1.368 19231 2707 1 5 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.717 -0.223 19231 2708 1 5 . 1 1 70 70 LEU H H 70 8.843 8.843 8.355 0.488 19231 2709 1 5 . 1 1 71 71 GLU N N 71 116.878 116.878 119.812 -2.934 19231 2710 1 5 . 1 1 71 71 GLU HA H 71 3.705 3.705 3.898 -0.193 19231 2711 1 5 . 1 1 71 71 GLU C C 71 179.305 179.305 178.328 0.977 19231 2712 1 5 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.390 1.781 19231 2713 1 5 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.423 -0.595 19231 2714 1 5 . 1 1 71 71 GLU H H 71 8.652 8.652 8.468 0.184 19231 2715 1 5 . 1 1 72 72 VAL N N 72 121.419 121.419 117.250 4.169 19231 2716 1 5 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.617 0.068 19231 2717 1 5 . 1 1 72 72 VAL C C 72 177.680 177.680 177.949 -0.269 19231 2718 1 5 . 1 1 72 72 VAL CA C 72 66.111 66.111 65.404 0.707 19231 2719 1 5 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.845 -0.378 19231 2720 1 5 . 1 1 72 72 VAL H H 72 7.559 7.559 7.253 0.306 19231 2721 1 5 . 1 1 73 73 HIS N N 73 118.272 118.272 119.443 -1.171 19231 2722 1 5 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.191 0.269 19231 2723 1 5 . 1 1 73 73 HIS C C 73 178.616 178.616 177.915 0.701 19231 2724 1 5 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.064 1.142 19231 2725 1 5 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.745 1.524 19231 2726 1 5 . 1 1 73 73 HIS H H 73 7.420 7.420 7.350 0.070 19231 2727 1 5 . 1 1 74 74 ILE N N 74 118.940 118.940 119.114 -0.174 19231 2728 1 5 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.641 -0.071 19231 2729 1 5 . 1 1 74 74 ILE C C 74 177.819 177.819 177.605 0.214 19231 2730 1 5 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.324 -3.381 19231 2731 1 5 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.612 -3.337 19231 2732 1 5 . 1 1 74 74 ILE H H 74 8.515 8.515 8.334 0.181 19231 2733 1 5 . 1 1 75 75 HIS N N 75 120.484 120.484 115.793 4.691 19231 2734 1 5 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.462 -0.192 19231 2735 1 5 . 1 1 75 75 HIS C C 75 177.445 177.445 177.561 -0.116 19231 2736 1 5 . 1 1 75 75 HIS CA C 75 60.116 60.116 57.879 2.237 19231 2737 1 5 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.258 -0.446 19231 2738 1 5 . 1 1 75 75 HIS H H 75 8.189 8.189 7.435 0.754 19231 2739 1 5 . 1 1 76 76 ASN N N 76 119.098 119.098 118.946 0.152 19231 2740 1 5 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.641 -0.252 19231 2741 1 5 . 1 1 76 76 ASN C C 76 178.615 178.615 177.274 1.341 19231 2742 1 5 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.547 -0.042 19231 2743 1 5 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.617 -1.308 19231 2744 1 5 . 1 1 76 76 ASN H H 76 8.456 8.456 7.912 0.544 19231 2745 1 5 . 1 1 77 77 LEU N N 77 120.517 120.517 117.971 2.546 19231 2746 1 5 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.320 -0.369 19231 2747 1 5 . 1 1 77 77 LEU C C 77 178.945 178.945 179.232 -0.287 19231 2748 1 5 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.855 0.141 19231 2749 1 5 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.341 1.765 19231 2750 1 5 . 1 1 77 77 LEU H H 77 8.579 8.579 7.986 0.593 19231 2751 1 5 . 1 1 78 78 ARG N N 78 119.521 119.521 120.571 -1.050 19231 2752 1 5 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.901 -0.241 19231 2753 1 5 . 1 1 78 78 ARG C C 78 178.766 178.766 178.065 0.701 19231 2754 1 5 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.687 -0.252 19231 2755 1 5 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.150 0.684 19231 2756 1 5 . 1 1 78 78 ARG H H 78 8.687 8.687 8.245 0.442 19231 2757 1 5 . 1 1 79 79 GLU N N 79 116.882 116.882 116.164 0.718 19231 2758 1 5 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.159 -0.230 19231 2759 1 5 . 1 1 79 79 GLU C C 79 178.226 178.226 178.350 -0.124 19231 2760 1 5 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.234 0.432 19231 2761 1 5 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.207 0.344 19231 2762 1 5 . 1 1 79 79 GLU H H 79 7.717 7.717 7.782 -0.065 19231 2763 1 5 . 1 1 80 80 LYS N N 80 116.574 116.574 119.629 -3.055 19231 2764 1 5 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.216 0.036 19231 2765 1 5 . 1 1 80 80 LYS C C 80 178.413 178.413 178.339 0.074 19231 2766 1 5 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.102 0.959 19231 2767 1 5 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.807 1.631 19231 2768 1 5 . 1 1 80 80 LYS H H 80 7.419 7.419 7.985 -0.566 19231 2769 1 5 . 1 1 81 81 ILE N N 81 108.393 108.393 112.222 -3.829 19231 2770 1 5 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.105 0.579 19231 2771 1 5 . 1 1 81 81 ILE C C 81 174.986 174.986 176.388 -1.402 19231 2772 1 5 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.628 -0.482 19231 2773 1 5 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.277 0.935 19231 2774 1 5 . 1 1 81 81 ILE H H 81 8.162 8.162 7.389 0.773 19231 2775 1 5 . 1 1 82 82 GLY N N 82 113.636 113.636 109.463 4.173 19231 2776 1 5 . 1 1 82 82 GLY C C 82 175.419 175.419 175.236 0.183 19231 2777 1 5 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.855 0.001 19231 2778 1 5 . 1 1 82 82 GLY H H 82 7.852 7.852 7.535 0.317 19231 2779 1 5 . 1 1 83 83 LYS N N 83 125.732 125.732 122.338 3.394 19231 2780 1 5 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.887 -0.157 19231 2781 1 5 . 1 1 83 83 LYS C C 83 178.177 178.177 178.151 0.026 19231 2782 1 5 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.991 0.931 19231 2783 1 5 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.834 0.532 19231 2784 1 5 . 1 1 83 83 LYS H H 83 8.511 8.511 8.027 0.484 19231 2785 1 5 . 1 1 84 84 SER N N 84 110.852 110.852 117.008 -6.156 19231 2786 1 5 . 1 1 84 84 SER HA H 84 4.346 4.346 4.122 0.224 19231 2787 1 5 . 1 1 84 84 SER C C 84 175.008 175.008 175.826 -0.818 19231 2788 1 5 . 1 1 84 84 SER CA C 84 58.935 58.935 61.058 -2.123 19231 2789 1 5 . 1 1 84 84 SER CB C 84 63.140 63.140 62.475 0.665 19231 2790 1 5 . 1 1 84 84 SER H H 84 8.438 8.438 8.425 0.013 19231 2791 1 5 . 1 1 85 85 ARG N N 85 118.561 118.561 117.222 1.339 19231 2792 1 5 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.292 -0.062 19231 2793 1 5 . 1 1 85 85 ARG C C 85 176.208 176.208 175.916 0.292 19231 2794 1 5 . 1 1 85 85 ARG CA C 85 57.156 57.156 56.570 0.586 19231 2795 1 5 . 1 1 85 85 ARG CB C 85 30.388 30.388 29.850 0.538 19231 2796 1 5 . 1 1 85 85 ARG H H 85 7.656 7.656 7.837 -0.181 19231 2797 1 5 . 1 1 86 86 ILE N N 86 113.200 113.200 118.164 -4.964 19231 2798 1 5 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.309 0.586 19231 2799 1 5 . 1 1 86 86 ILE C C 86 175.573 175.573 174.622 0.951 19231 2800 1 5 . 1 1 86 86 ILE CA C 86 59.461 59.461 60.145 -0.684 19231 2801 1 5 . 1 1 86 86 ILE CB C 86 39.188 39.188 42.361 -3.173 19231 2802 1 5 . 1 1 86 86 ILE H H 86 6.880 6.880 7.904 -1.024 19231 2803 1 5 . 1 1 87 87 ARG N N 87 128.727 128.727 123.535 5.192 19231 2804 1 5 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.726 0.071 19231 2805 1 5 . 1 1 87 87 ARG C C 87 176.501 176.501 174.778 1.723 19231 2806 1 5 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.917 -1.253 19231 2807 1 5 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.859 -1.849 19231 2808 1 5 . 1 1 87 87 ARG H H 87 9.786 9.786 8.468 1.318 19231 2809 1 5 . 1 1 88 88 THR N N 88 122.821 122.821 117.151 5.670 19231 2810 1 5 . 1 1 88 88 THR HA H 88 4.138 4.138 4.151 -0.013 19231 2811 1 5 . 1 1 88 88 THR C C 88 173.802 173.802 173.616 0.186 19231 2812 1 5 . 1 1 88 88 THR CA C 88 63.514 63.514 60.985 2.529 19231 2813 1 5 . 1 1 88 88 THR CB C 88 68.908 68.908 69.738 -0.830 19231 2814 1 5 . 1 1 88 88 THR H H 88 9.421 9.421 8.331 1.090 19231 2815 1 5 . 1 1 89 89 VAL N N 89 130.400 130.400 124.580 5.820 19231 2816 1 5 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.181 -0.001 19231 2817 1 5 . 1 1 89 89 VAL CA C 89 61.378 61.378 60.349 1.029 19231 2818 1 5 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.894 -2.007 19231 2819 1 5 . 1 1 89 89 VAL H H 89 8.400 8.400 8.133 0.267 19231 2820 1 5 . 1 1 91 91 GLY C C 91 173.530 173.530 173.397 0.133 19231 2821 1 5 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.998 -0.473 19231 2822 1 5 . 1 1 92 92 PHE N N 92 119.601 119.601 119.176 0.425 19231 2823 1 5 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.719 -0.278 19231 2824 1 5 . 1 1 92 92 PHE C C 92 174.744 174.744 174.247 0.497 19231 2825 1 5 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.621 1.433 19231 2826 1 5 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.798 2.635 19231 2827 1 5 . 1 1 92 92 PHE H H 92 8.332 8.332 7.785 0.547 19231 2828 1 5 . 1 1 93 93 GLY N N 93 105.445 105.445 106.744 -1.299 19231 2829 1 5 . 1 1 93 93 GLY C C 93 171.776 171.776 172.977 -1.201 19231 2830 1 5 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.105 2.611 19231 2831 1 5 . 1 1 93 93 GLY H H 93 8.377 8.377 7.717 0.660 19231 2832 1 5 . 1 1 94 94 TYR N N 94 122.471 122.471 116.461 6.010 19231 2833 1 5 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.687 0.743 19231 2834 1 5 . 1 1 94 94 TYR C C 94 172.889 172.889 173.977 -1.088 19231 2835 1 5 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.795 -0.426 19231 2836 1 5 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.795 0.257 19231 2837 1 5 . 1 1 94 94 TYR H H 94 8.475 8.475 8.160 0.315 19231 2838 1 5 . 1 1 95 95 MET N N 95 118.643 118.643 119.405 -0.762 19231 2839 1 5 . 1 1 95 95 MET HA H 95 4.890 4.890 4.812 0.078 19231 2840 1 5 . 1 1 95 95 MET C C 95 173.438 173.438 173.669 -0.231 19231 2841 1 5 . 1 1 95 95 MET CA C 95 54.125 54.125 55.573 -1.448 19231 2842 1 5 . 1 1 95 95 MET CB C 95 39.364 39.364 36.888 2.476 19231 2843 1 5 . 1 1 95 95 MET H H 95 8.936 8.936 8.438 0.498 19231 2844 1 5 . 1 1 96 96 LEU N N 96 130.194 130.194 126.522 3.672 19231 2845 1 5 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.675 0.406 19231 2846 1 5 . 1 1 96 96 LEU C C 96 174.912 174.912 176.370 -1.458 19231 2847 1 5 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.616 -0.134 19231 2848 1 5 . 1 1 96 96 LEU CB C 96 43.756 43.756 43.053 0.703 19231 2849 1 5 . 1 1 96 96 LEU H H 96 9.848 9.848 8.731 1.117 19231 2850 1 5 . 1 1 97 97 ALA N N 97 131.168 131.168 125.348 5.820 19231 2851 1 5 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.158 0.178 19231 2852 1 5 . 1 1 97 97 ALA C C 97 176.560 176.560 178.079 -1.519 19231 2853 1 5 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.785 -0.890 19231 2854 1 5 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.592 0.419 19231 2855 1 5 . 1 1 97 97 ALA H H 97 8.681 8.681 8.266 0.415 19231 2856 1 5 . 1 1 98 98 ASN N N 98 118.268 118.268 120.940 -2.672 19231 2857 1 5 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.411 0.269 19231 2858 1 5 . 1 1 98 98 ASN C C 98 174.939 174.939 175.098 -0.159 19231 2859 1 5 . 1 1 98 98 ASN CA C 98 52.429 52.429 55.771 -3.342 19231 2860 1 5 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.776 0.136 19231 2861 1 5 . 1 1 98 98 ASN H H 98 8.654 8.654 8.657 -0.003 19231 2862 1 5 . 1 1 99 99 ASN N N 99 117.488 117.488 114.091 3.397 19231 2863 1 5 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.862 -0.062 19231 2864 1 5 . 1 1 99 99 ASN C C 99 174.744 174.744 174.972 -0.228 19231 2865 1 5 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.013 0.035 19231 2866 1 5 . 1 1 99 99 ASN CB C 99 39.039 39.039 39.597 -0.558 19231 2867 1 5 . 1 1 99 99 ASN H H 99 8.131 8.131 8.166 -0.035 19231 2868 1 5 . 1 1 100 100 ILE N N 100 118.881 118.881 119.207 -0.326 19231 2869 1 5 . 1 1 100 100 ILE HA H 100 4.240 4.240 4.004 0.236 19231 2870 1 5 . 1 1 100 100 ILE C C 100 175.769 175.769 176.327 -0.558 19231 2871 1 5 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.814 -1.810 19231 2872 1 5 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.365 1.313 19231 2873 1 5 . 1 1 100 100 ILE H H 100 8.139 8.139 8.045 0.094 19231 2874 1 5 . 1 1 101 101 ASP N N 101 123.516 123.516 120.362 3.154 19231 2875 1 5 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.505 0.215 19231 2876 1 5 . 1 1 101 101 ASP C C 101 176.210 176.210 176.805 -0.595 19231 2877 1 5 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.960 -0.447 19231 2878 1 5 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.861 0.360 19231 2879 1 5 . 1 1 101 101 ASP H H 101 8.426 8.426 8.172 0.254 19231 2880 1 5 . 1 1 102 102 THR N N 102 113.358 113.358 115.614 -2.256 19231 2881 1 5 . 1 1 102 102 THR HA H 102 4.360 4.360 4.067 0.293 19231 2882 1 5 . 1 1 102 102 THR C C 102 173.733 173.733 174.845 -1.112 19231 2883 1 5 . 1 1 102 102 THR CA C 102 61.477 61.477 63.198 -1.721 19231 2884 1 5 . 1 1 102 102 THR CB C 102 69.788 69.788 68.033 1.755 19231 2885 1 5 . 1 1 102 102 THR H H 102 8.045 8.045 7.559 0.486 19231 2886 1 6 . 1 1 2 2 GLN N N 2 121.990 121.990 121.579 0.411 19231 2887 1 6 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.235 0.102 19231 2888 1 6 . 1 1 2 2 GLN C C 2 176.320 176.320 175.843 0.477 19231 2889 1 6 . 1 1 2 2 GLN CA C 2 56.295 56.295 55.843 0.452 19231 2890 1 6 . 1 1 2 2 GLN CB C 2 29.270 29.270 26.936 2.334 19231 2891 1 6 . 1 1 2 2 GLN H H 2 8.705 8.705 8.601 0.104 19231 2892 1 6 . 1 1 3 3 GLY N N 3 110.481 110.481 106.716 3.765 19231 2893 1 6 . 1 1 3 3 GLY C C 3 174.116 174.116 173.262 0.854 19231 2894 1 6 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.565 -0.450 19231 2895 1 6 . 1 1 3 3 GLY H H 3 8.540 8.540 8.258 0.282 19231 2896 1 6 . 1 1 4 4 ASP N N 4 120.750 120.750 120.374 0.376 19231 2897 1 6 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.681 -0.040 19231 2898 1 6 . 1 1 4 4 ASP C C 4 175.974 175.974 173.853 2.121 19231 2899 1 6 . 1 1 4 4 ASP CA C 4 54.456 54.456 54.557 -0.101 19231 2900 1 6 . 1 1 4 4 ASP CB C 4 41.190 41.190 42.015 -0.825 19231 2901 1 6 . 1 1 4 4 ASP H H 4 8.251 8.251 7.916 0.335 19231 2902 1 6 . 1 1 5 5 ASN N N 5 118.421 118.421 121.546 -3.125 19231 2903 1 6 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.804 -0.043 19231 2904 1 6 . 1 1 5 5 ASN C C 5 174.017 174.017 173.026 0.991 19231 2905 1 6 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.175 0.179 19231 2906 1 6 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.000 -1.064 19231 2907 1 6 . 1 1 5 5 ASN H H 5 8.513 8.513 8.389 0.124 19231 2908 1 6 . 1 1 6 6 GLU N N 6 120.905 120.905 122.840 -1.935 19231 2909 1 6 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.121 0.351 19231 2910 1 6 . 1 1 6 6 GLU C C 6 175.808 175.808 174.668 1.140 19231 2911 1 6 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.346 -0.251 19231 2912 1 6 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.145 -0.132 19231 2913 1 6 . 1 1 6 6 GLU H H 6 8.116 8.116 8.283 -0.167 19231 2914 1 6 . 1 1 7 7 ILE N N 7 122.567 122.567 116.408 6.159 19231 2915 1 6 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.760 -0.226 19231 2916 1 6 . 1 1 7 7 ILE C C 7 174.653 174.653 174.317 0.336 19231 2917 1 6 . 1 1 7 7 ILE CA C 7 60.113 60.113 60.247 -0.134 19231 2918 1 6 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.638 -0.296 19231 2919 1 6 . 1 1 7 7 ILE H H 7 8.966 8.966 9.088 -0.122 19231 2920 1 6 . 1 1 8 8 SER N N 8 120.446 120.446 117.150 3.296 19231 2921 1 6 . 1 1 8 8 SER HA H 8 5.536 5.536 5.564 -0.028 19231 2922 1 6 . 1 1 8 8 SER C C 8 174.082 174.082 173.193 0.889 19231 2923 1 6 . 1 1 8 8 SER CA C 8 57.050 57.050 57.662 -0.612 19231 2924 1 6 . 1 1 8 8 SER CB C 8 65.470 65.470 66.157 -0.687 19231 2925 1 6 . 1 1 8 8 SER H H 8 8.773 8.773 8.295 0.478 19231 2926 1 6 . 1 1 9 9 VAL N N 9 124.896 124.896 123.599 1.297 19231 2927 1 6 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.374 -0.184 19231 2928 1 6 . 1 1 9 9 VAL C C 9 176.141 176.141 175.572 0.569 19231 2929 1 6 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.217 0.081 19231 2930 1 6 . 1 1 9 9 VAL CB C 9 33.763 33.763 33.176 0.587 19231 2931 1 6 . 1 1 9 9 VAL H H 9 8.874 8.874 8.906 -0.032 19231 2932 1 6 . 1 1 10 10 GLY N N 10 117.992 117.992 116.964 1.028 19231 2933 1 6 . 1 1 10 10 GLY C C 10 174.785 174.785 174.780 0.005 19231 2934 1 6 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.725 0.605 19231 2935 1 6 . 1 1 10 10 GLY H H 10 9.114 9.114 8.551 0.563 19231 2936 1 6 . 1 1 11 11 ASN N N 11 124.908 124.908 123.182 1.726 19231 2937 1 6 . 1 1 11 11 ASN HA H 11 4.688 4.688 5.021 -0.333 19231 2938 1 6 . 1 1 11 11 ASN C C 11 174.765 174.765 174.127 0.638 19231 2939 1 6 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.650 0.228 19231 2940 1 6 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.381 -2.104 19231 2941 1 6 . 1 1 11 11 ASN H H 11 8.609 8.609 8.532 0.077 19231 2942 1 6 . 1 1 12 12 LEU N N 12 123.550 123.550 121.967 1.583 19231 2943 1 6 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.125 0.290 19231 2944 1 6 . 1 1 12 12 LEU C C 12 175.653 175.653 176.007 -0.354 19231 2945 1 6 . 1 1 12 12 LEU CA C 12 53.937 53.937 53.998 -0.061 19231 2946 1 6 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.227 2.211 19231 2947 1 6 . 1 1 12 12 LEU H H 12 8.256 8.256 7.453 0.803 19231 2948 1 6 . 1 1 13 13 ARG N N 13 124.719 124.719 123.170 1.549 19231 2949 1 6 . 1 1 13 13 ARG HA H 13 5.227 5.227 5.032 0.195 19231 2950 1 6 . 1 1 13 13 ARG C C 13 173.394 173.394 174.562 -1.168 19231 2951 1 6 . 1 1 13 13 ARG CA C 13 55.017 55.017 54.996 0.021 19231 2952 1 6 . 1 1 13 13 ARG CB C 13 34.507 34.507 33.339 1.168 19231 2953 1 6 . 1 1 13 13 ARG H H 13 9.169 9.169 8.360 0.809 19231 2954 1 6 . 1 1 14 14 LEU N N 14 127.743 127.743 125.069 2.674 19231 2955 1 6 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.952 0.364 19231 2956 1 6 . 1 1 14 14 LEU C C 14 174.807 174.807 174.154 0.653 19231 2957 1 6 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.999 -0.183 19231 2958 1 6 . 1 1 14 14 LEU CB C 14 45.806 45.806 46.350 -0.544 19231 2959 1 6 . 1 1 14 14 LEU H H 14 9.394 9.394 9.253 0.141 19231 2960 1 6 . 1 1 15 15 ASN N N 15 125.577 125.577 125.670 -0.093 19231 2961 1 6 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.304 0.103 19231 2962 1 6 . 1 1 15 15 ASN C C 15 175.621 175.621 175.771 -0.150 19231 2963 1 6 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.203 -0.159 19231 2964 1 6 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.807 0.260 19231 2965 1 6 . 1 1 15 15 ASN H H 15 9.520 9.520 8.551 0.969 19231 2966 1 6 . 1 1 16 16 VAL N N 16 123.478 123.478 126.438 -2.960 19231 2967 1 6 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.969 0.111 19231 2968 1 6 . 1 1 16 16 VAL C C 16 177.902 177.902 177.342 0.560 19231 2969 1 6 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.340 -0.926 19231 2970 1 6 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.023 0.181 19231 2971 1 6 . 1 1 16 16 VAL H H 16 8.759 8.759 8.561 0.198 19231 2972 1 6 . 1 1 17 17 THR N N 17 117.004 117.004 115.367 1.637 19231 2973 1 6 . 1 1 17 17 THR HA H 17 4.340 4.340 4.056 0.284 19231 2974 1 6 . 1 1 17 17 THR C C 17 176.177 176.177 176.134 0.043 19231 2975 1 6 . 1 1 17 17 THR CA C 17 65.922 65.922 64.982 0.940 19231 2976 1 6 . 1 1 17 17 THR CB C 17 68.899 68.899 68.958 -0.059 19231 2977 1 6 . 1 1 17 17 THR H H 17 8.045 8.045 7.687 0.358 19231 2978 1 6 . 1 1 18 18 ARG N N 18 117.565 117.565 118.643 -1.078 19231 2979 1 6 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.305 -0.107 19231 2980 1 6 . 1 1 18 18 ARG C C 18 174.802 174.802 176.245 -1.443 19231 2981 1 6 . 1 1 18 18 ARG CA C 18 55.605 55.605 56.852 -1.247 19231 2982 1 6 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.524 0.701 19231 2983 1 6 . 1 1 18 18 ARG H H 18 8.035 8.035 8.450 -0.415 19231 2984 1 6 . 1 1 19 19 ARG N N 19 117.471 117.471 118.915 -1.444 19231 2985 1 6 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.291 0.623 19231 2986 1 6 . 1 1 19 19 ARG C C 19 174.359 174.359 174.124 0.235 19231 2987 1 6 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.271 0.216 19231 2988 1 6 . 1 1 19 19 ARG CB C 19 26.248 26.248 28.181 -1.933 19231 2989 1 6 . 1 1 19 19 ARG H H 19 7.877 7.877 7.964 -0.087 19231 2990 1 6 . 1 1 20 20 LEU N N 20 118.701 118.701 121.170 -2.469 19231 2991 1 6 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.498 0.032 19231 2992 1 6 . 1 1 20 20 LEU C C 20 174.619 174.619 173.734 0.885 19231 2993 1 6 . 1 1 20 20 LEU CA C 20 52.854 52.854 54.068 -1.214 19231 2994 1 6 . 1 1 20 20 LEU CB C 20 47.247 47.247 45.499 1.748 19231 2995 1 6 . 1 1 20 20 LEU H H 20 7.565 7.565 7.635 -0.070 19231 2996 1 6 . 1 1 21 21 VAL N N 21 120.636 120.636 124.766 -4.130 19231 2997 1 6 . 1 1 21 21 VAL HA H 21 5.197 5.197 4.943 0.254 19231 2998 1 6 . 1 1 21 21 VAL C C 21 174.036 174.036 175.054 -1.018 19231 2999 1 6 . 1 1 21 21 VAL CA C 21 59.871 59.871 61.124 -1.253 19231 3000 1 6 . 1 1 21 21 VAL CB C 21 34.448 34.448 33.632 0.816 19231 3001 1 6 . 1 1 21 21 VAL H H 21 8.466 8.466 8.367 0.099 19231 3002 1 6 . 1 1 22 22 TRP N N 22 126.709 126.709 126.050 0.659 19231 3003 1 6 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.325 -0.195 19231 3004 1 6 . 1 1 22 22 TRP C C 22 174.877 174.877 174.979 -0.102 19231 3005 1 6 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.109 0.958 19231 3006 1 6 . 1 1 22 22 TRP CB C 22 33.137 33.137 32.903 0.234 19231 3007 1 6 . 1 1 22 22 TRP H H 22 9.596 9.596 9.148 0.448 19231 3008 1 6 . 1 1 23 23 LEU N N 23 123.443 123.443 123.949 -0.506 19231 3009 1 6 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.652 0.382 19231 3010 1 6 . 1 1 23 23 LEU C C 23 177.552 177.552 176.940 0.612 19231 3011 1 6 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.639 -0.212 19231 3012 1 6 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.169 0.753 19231 3013 1 6 . 1 1 23 23 LEU H H 23 8.834 8.834 9.220 -0.386 19231 3014 1 6 . 1 1 24 24 GLY N N 24 117.546 117.546 117.460 0.086 19231 3015 1 6 . 1 1 24 24 GLY C C 24 174.915 174.915 174.929 -0.014 19231 3016 1 6 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.562 1.658 19231 3017 1 6 . 1 1 24 24 GLY H H 24 9.401 9.401 8.593 0.808 19231 3018 1 6 . 1 1 25 25 GLU N N 25 124.565 124.565 112.852 11.713 19231 3019 1 6 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.818 0.510 19231 3020 1 6 . 1 1 25 25 GLU C C 25 176.350 176.350 175.820 0.530 19231 3021 1 6 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.083 -1.683 19231 3022 1 6 . 1 1 25 25 GLU CB C 25 29.811 29.811 28.424 1.387 19231 3023 1 6 . 1 1 25 25 GLU H H 25 9.051 9.051 8.858 0.193 19231 3024 1 6 . 1 1 26 26 THR N N 26 117.538 117.538 111.145 6.393 19231 3025 1 6 . 1 1 26 26 THR HA H 26 4.305 4.305 4.644 -0.339 19231 3026 1 6 . 1 1 26 26 THR C C 26 173.226 173.226 173.891 -0.665 19231 3027 1 6 . 1 1 26 26 THR CA C 26 62.118 62.118 60.627 1.491 19231 3028 1 6 . 1 1 26 26 THR CB C 26 70.399 70.399 70.999 -0.600 19231 3029 1 6 . 1 1 26 26 THR H H 26 8.140 8.140 7.416 0.724 19231 3030 1 6 . 1 1 27 27 ALA N N 27 131.183 131.183 127.903 3.280 19231 3031 1 6 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.893 0.197 19231 3032 1 6 . 1 1 27 27 ALA C C 27 177.483 177.483 176.927 0.556 19231 3033 1 6 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.191 0.243 19231 3034 1 6 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.706 -0.791 19231 3035 1 6 . 1 1 27 27 ALA H H 27 8.937 8.937 8.726 0.211 19231 3036 1 6 . 1 1 28 28 LEU N N 28 124.160 124.160 125.697 -1.537 19231 3037 1 6 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.291 0.045 19231 3038 1 6 . 1 1 28 28 LEU C C 28 176.114 176.114 176.371 -0.257 19231 3039 1 6 . 1 1 28 28 LEU CA C 28 53.606 53.606 55.041 -1.435 19231 3040 1 6 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.301 0.021 19231 3041 1 6 . 1 1 28 28 LEU H H 28 8.663 8.663 7.817 0.846 19231 3042 1 6 . 1 1 29 29 ASP N N 29 124.715 124.715 127.525 -2.810 19231 3043 1 6 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.708 0.002 19231 3044 1 6 . 1 1 29 29 ASP C C 29 174.721 174.721 175.358 -0.637 19231 3045 1 6 . 1 1 29 29 ASP CA C 29 53.324 53.324 54.222 -0.898 19231 3046 1 6 . 1 1 29 29 ASP CB C 29 40.336 40.336 39.685 0.651 19231 3047 1 6 . 1 1 29 29 ASP H H 29 8.690 8.690 8.577 0.113 19231 3048 1 6 . 1 1 30 30 LEU N N 30 123.472 123.472 120.514 2.958 19231 3049 1 6 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.918 -0.087 19231 3050 1 6 . 1 1 30 30 LEU C C 30 177.944 177.944 176.157 1.787 19231 3051 1 6 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.062 -0.125 19231 3052 1 6 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.307 -0.327 19231 3053 1 6 . 1 1 30 30 LEU H H 30 7.969 7.969 7.517 0.452 19231 3054 1 6 . 1 1 31 31 THR N N 31 115.969 115.969 111.871 4.098 19231 3055 1 6 . 1 1 31 31 THR HA H 31 4.700 4.700 4.463 0.237 19231 3056 1 6 . 1 1 31 31 THR C C 31 173.645 173.645 174.994 -1.349 19231 3057 1 6 . 1 1 31 31 THR CA C 31 60.704 60.704 60.255 0.448 19231 3058 1 6 . 1 1 31 31 THR CB C 31 67.869 67.869 69.465 -1.596 19231 3059 1 6 . 1 1 31 31 THR H H 31 8.864 8.864 8.191 0.673 19231 3060 1 6 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.041 0.239 19231 3061 1 6 . 1 1 32 32 PRO C C 32 178.657 178.657 178.639 0.018 19231 3062 1 6 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.804 0.700 19231 3063 1 6 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.690 0.289 19231 3064 1 6 . 1 1 33 33 LYS N N 33 116.417 116.417 117.290 -0.873 19231 3065 1 6 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.901 0.023 19231 3066 1 6 . 1 1 33 33 LYS C C 33 178.084 178.084 179.084 -1.000 19231 3067 1 6 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.705 -0.040 19231 3068 1 6 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.828 0.744 19231 3069 1 6 . 1 1 33 33 LYS H H 33 8.044 8.044 8.281 -0.237 19231 3070 1 6 . 1 1 34 34 GLU N N 34 118.272 118.272 119.097 -0.825 19231 3071 1 6 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.923 -0.303 19231 3072 1 6 . 1 1 34 34 GLU C C 34 178.512 178.512 178.756 -0.244 19231 3073 1 6 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.197 0.347 19231 3074 1 6 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.499 1.022 19231 3075 1 6 . 1 1 34 34 GLU H H 34 7.376 7.376 7.597 -0.221 19231 3076 1 6 . 1 1 35 35 TYR N N 35 118.351 118.351 120.007 -1.656 19231 3077 1 6 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.003 -0.306 19231 3078 1 6 . 1 1 35 35 TYR C C 35 177.597 177.597 177.011 0.586 19231 3079 1 6 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.087 1.214 19231 3080 1 6 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.270 -0.336 19231 3081 1 6 . 1 1 35 35 TYR H H 35 8.950 8.950 7.901 1.049 19231 3082 1 6 . 1 1 36 36 ALA N N 36 123.913 123.913 121.465 2.448 19231 3083 1 6 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.068 -0.325 19231 3084 1 6 . 1 1 36 36 ALA C C 36 180.061 180.061 179.182 0.879 19231 3085 1 6 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.853 0.559 19231 3086 1 6 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.108 -0.046 19231 3087 1 6 . 1 1 36 36 ALA H H 36 8.147 8.147 7.774 0.373 19231 3088 1 6 . 1 1 37 37 LEU N N 37 116.924 116.924 119.818 -2.894 19231 3089 1 6 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.094 -0.184 19231 3090 1 6 . 1 1 37 37 LEU C C 37 177.760 177.760 179.209 -1.449 19231 3091 1 6 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.460 -0.124 19231 3092 1 6 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.321 1.722 19231 3093 1 6 . 1 1 37 37 LEU H H 37 7.651 7.651 7.424 0.227 19231 3094 1 6 . 1 1 38 38 LEU N N 38 118.232 118.232 119.264 -1.032 19231 3095 1 6 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.730 0.140 19231 3096 1 6 . 1 1 38 38 LEU C C 38 178.524 178.524 178.669 -0.145 19231 3097 1 6 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.532 -1.135 19231 3098 1 6 . 1 1 38 38 LEU CB C 38 41.129 41.129 40.980 0.149 19231 3099 1 6 . 1 1 38 38 LEU H H 38 8.550 8.550 8.388 0.162 19231 3100 1 6 . 1 1 39 39 SER N N 39 113.045 113.045 113.916 -0.871 19231 3101 1 6 . 1 1 39 39 SER HA H 39 3.700 3.700 3.939 -0.239 19231 3102 1 6 . 1 1 39 39 SER C C 39 175.854 175.854 176.520 -0.666 19231 3103 1 6 . 1 1 39 39 SER CA C 39 62.126 62.126 62.136 -0.010 19231 3104 1 6 . 1 1 39 39 SER CB C 39 68.227 68.227 62.690 5.537 19231 3105 1 6 . 1 1 39 39 SER H H 39 8.540 8.540 7.857 0.683 19231 3106 1 6 . 1 1 40 40 ARG N N 40 121.521 121.521 121.914 -0.393 19231 3107 1 6 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.167 -0.157 19231 3108 1 6 . 1 1 40 40 ARG C C 40 178.731 178.731 178.186 0.545 19231 3109 1 6 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.206 0.105 19231 3110 1 6 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.906 -1.381 19231 3111 1 6 . 1 1 40 40 ARG H H 40 7.112 7.112 7.437 -0.325 19231 3112 1 6 . 1 1 41 41 LEU N N 41 115.939 115.939 120.494 -4.555 19231 3113 1 6 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.894 0.098 19231 3114 1 6 . 1 1 41 41 LEU C C 41 180.049 180.049 179.570 0.479 19231 3115 1 6 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.248 -0.412 19231 3116 1 6 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.852 0.164 19231 3117 1 6 . 1 1 41 41 LEU H H 41 7.960 7.960 8.114 -0.154 19231 3118 1 6 . 1 1 42 42 MET N N 42 116.335 116.335 117.220 -0.885 19231 3119 1 6 . 1 1 42 42 MET HA H 42 3.877 3.877 4.068 -0.191 19231 3120 1 6 . 1 1 42 42 MET C C 42 178.748 178.748 178.429 0.319 19231 3121 1 6 . 1 1 42 42 MET CA C 42 59.530 59.530 58.687 0.843 19231 3122 1 6 . 1 1 42 42 MET CB C 42 33.449 33.449 32.558 0.891 19231 3123 1 6 . 1 1 42 42 MET H H 42 8.825 8.825 8.530 0.295 19231 3124 1 6 . 1 1 43 43 MET N N 43 119.000 119.000 119.202 -0.202 19231 3125 1 6 . 1 1 43 43 MET HA H 43 4.137 4.137 4.222 -0.085 19231 3126 1 6 . 1 1 43 43 MET C C 43 176.813 176.813 176.454 0.359 19231 3127 1 6 . 1 1 43 43 MET CA C 43 58.405 58.405 58.255 0.150 19231 3128 1 6 . 1 1 43 43 MET CB C 43 32.382 32.382 32.834 -0.452 19231 3129 1 6 . 1 1 43 43 MET H H 43 8.250 8.250 7.521 0.729 19231 3130 1 6 . 1 1 44 44 LYS N N 44 117.715 117.715 117.551 0.164 19231 3131 1 6 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.556 0.075 19231 3132 1 6 . 1 1 44 44 LYS C C 44 175.226 175.226 175.004 0.222 19231 3133 1 6 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.629 -1.803 19231 3134 1 6 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.305 -0.834 19231 3135 1 6 . 1 1 44 44 LYS H H 44 7.088 7.088 7.377 -0.289 19231 3136 1 6 . 1 1 45 45 ALA N N 45 122.613 122.613 122.724 -0.111 19231 3137 1 6 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.290 0.029 19231 3138 1 6 . 1 1 45 45 ALA C C 45 178.994 178.994 177.524 1.470 19231 3139 1 6 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.551 1.123 19231 3140 1 6 . 1 1 45 45 ALA CB C 45 19.397 19.397 17.939 1.458 19231 3141 1 6 . 1 1 45 45 ALA H H 45 6.952 6.952 7.853 -0.901 19231 3142 1 6 . 1 1 46 46 GLY N N 46 109.561 109.561 111.824 -2.263 19231 3143 1 6 . 1 1 46 46 GLY C C 46 173.547 173.547 174.080 -0.533 19231 3144 1 6 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.078 0.389 19231 3145 1 6 . 1 1 46 46 GLY H H 46 8.944 8.944 8.241 0.703 19231 3146 1 6 . 1 1 47 47 SER N N 47 116.886 116.886 117.025 -0.139 19231 3147 1 6 . 1 1 47 47 SER HA H 47 5.130 5.130 5.013 0.117 19231 3148 1 6 . 1 1 47 47 SER C C 47 170.481 170.481 171.881 -1.400 19231 3149 1 6 . 1 1 47 47 SER CA C 47 55.988 55.988 56.342 -0.353 19231 3150 1 6 . 1 1 47 47 SER CB C 47 65.098 65.098 65.570 -0.472 19231 3151 1 6 . 1 1 47 47 SER H H 47 8.759 8.759 7.994 0.765 19231 3152 1 6 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.708 -0.290 19231 3153 1 6 . 1 1 48 48 PRO C C 48 175.854 175.854 176.234 -0.380 19231 3154 1 6 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.542 -0.096 19231 3155 1 6 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.046 0.863 19231 3156 1 6 . 1 1 49 49 VAL N N 49 124.173 124.173 124.139 0.034 19231 3157 1 6 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.214 0.197 19231 3158 1 6 . 1 1 49 49 VAL C C 49 175.186 175.186 175.760 -0.574 19231 3159 1 6 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.256 0.203 19231 3160 1 6 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.322 0.174 19231 3161 1 6 . 1 1 49 49 VAL H H 49 9.235 9.235 8.967 0.268 19231 3162 1 6 . 1 1 50 50 HIS N N 50 128.035 128.035 126.054 1.981 19231 3163 1 6 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.149 -0.579 19231 3164 1 6 . 1 1 50 50 HIS C C 50 177.130 177.130 175.909 1.221 19231 3165 1 6 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.636 2.817 19231 3166 1 6 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.411 1.131 19231 3167 1 6 . 1 1 50 50 HIS H H 50 8.791 8.791 8.807 -0.016 19231 3168 1 6 . 1 1 51 51 ARG N N 51 125.631 125.631 126.618 -0.987 19231 3169 1 6 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.920 -0.040 19231 3170 1 6 . 1 1 51 51 ARG C C 51 176.786 176.786 177.455 -0.669 19231 3171 1 6 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.105 0.974 19231 3172 1 6 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.740 0.410 19231 3173 1 6 . 1 1 51 51 ARG H H 51 8.544 8.544 8.371 0.173 19231 3174 1 6 . 1 1 52 52 GLU N N 52 120.964 120.964 119.396 1.568 19231 3175 1 6 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.899 0.181 19231 3176 1 6 . 1 1 52 52 GLU C C 52 179.334 179.334 178.387 0.947 19231 3177 1 6 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.719 1.050 19231 3178 1 6 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.608 0.620 19231 3179 1 6 . 1 1 52 52 GLU H H 52 10.831 10.831 7.647 3.184 19231 3180 1 6 . 1 1 53 53 ILE N N 53 119.337 119.337 119.483 -0.146 19231 3181 1 6 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.651 0.220 19231 3182 1 6 . 1 1 53 53 ILE C C 53 178.080 178.080 178.153 -0.073 19231 3183 1 6 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.471 -1.361 19231 3184 1 6 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.518 -0.022 19231 3185 1 6 . 1 1 53 53 ILE H H 53 7.239 7.239 7.639 -0.400 19231 3186 1 6 . 1 1 54 54 LEU N N 54 118.502 118.502 118.302 0.200 19231 3187 1 6 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.135 0.025 19231 3188 1 6 . 1 1 54 54 LEU C C 54 178.676 178.676 178.972 -0.296 19231 3189 1 6 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.171 -0.097 19231 3190 1 6 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.371 -0.048 19231 3191 1 6 . 1 1 54 54 LEU H H 54 7.198 7.198 7.301 -0.103 19231 3192 1 6 . 1 1 55 55 TYR N N 55 117.114 117.114 119.577 -2.463 19231 3193 1 6 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.001 0.134 19231 3194 1 6 . 1 1 55 55 TYR C C 55 177.987 177.987 177.219 0.768 19231 3195 1 6 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.300 -0.163 19231 3196 1 6 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.641 -0.534 19231 3197 1 6 . 1 1 55 55 TYR H H 55 8.872 8.872 7.757 1.115 19231 3198 1 6 . 1 1 56 56 ASN N N 56 116.720 116.720 116.524 0.196 19231 3199 1 6 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.262 0.223 19231 3200 1 6 . 1 1 56 56 ASN C C 56 177.439 177.439 175.824 1.615 19231 3201 1 6 . 1 1 56 56 ASN CA C 56 56.013 56.013 56.078 -0.065 19231 3202 1 6 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.014 0.276 19231 3203 1 6 . 1 1 56 56 ASN H H 56 7.796 7.796 7.893 -0.097 19231 3204 1 6 . 1 1 57 57 ASP N N 57 118.532 118.532 119.765 -1.233 19231 3205 1 6 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.232 0.308 19231 3206 1 6 . 1 1 57 57 ASP C C 57 177.886 177.886 177.046 0.840 19231 3207 1 6 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.720 0.366 19231 3208 1 6 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.506 0.374 19231 3209 1 6 . 1 1 57 57 ASP H H 57 7.842 7.842 7.211 0.631 19231 3210 1 6 . 1 1 58 58 ILE N N 58 109.975 109.975 117.031 -7.056 19231 3211 1 6 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.761 0.539 19231 3212 1 6 . 1 1 58 58 ILE C C 58 175.916 175.916 175.642 0.274 19231 3213 1 6 . 1 1 58 58 ILE CA C 58 61.340 61.340 61.798 -0.458 19231 3214 1 6 . 1 1 58 58 ILE CB C 58 38.830 38.830 37.545 1.285 19231 3215 1 6 . 1 1 58 58 ILE H H 58 7.277 7.277 7.240 0.037 19231 3216 1 6 . 1 1 59 59 TYR N N 59 122.761 122.761 111.899 10.862 19231 3217 1 6 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.345 -0.049 19231 3218 1 6 . 1 1 59 59 TYR C C 59 176.037 176.037 173.836 2.201 19231 3219 1 6 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.875 2.295 19231 3220 1 6 . 1 1 59 59 TYR CB C 59 38.277 38.277 38.339 -0.062 19231 3221 1 6 . 1 1 59 59 TYR H H 59 7.788 7.788 7.477 0.311 19231 3222 1 6 . 1 1 60 60 SER N N 60 117.350 117.350 114.726 2.624 19231 3223 1 6 . 1 1 60 60 SER HA H 60 4.292 4.292 4.566 -0.274 19231 3224 1 6 . 1 1 60 60 SER C C 60 174.206 174.206 174.327 -0.121 19231 3225 1 6 . 1 1 60 60 SER CA C 60 57.976 57.976 58.458 -0.481 19231 3226 1 6 . 1 1 60 60 SER CB C 60 63.884 63.884 63.496 0.388 19231 3227 1 6 . 1 1 60 60 SER H H 60 7.721 7.721 8.499 -0.778 19231 3228 1 6 . 1 1 61 61 TRP N N 61 122.170 122.170 121.626 0.544 19231 3229 1 6 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.560 -0.083 19231 3230 1 6 . 1 1 61 61 TRP C C 61 175.798 175.798 175.847 -0.049 19231 3231 1 6 . 1 1 61 61 TRP CA C 61 57.863 57.863 58.541 -0.678 19231 3232 1 6 . 1 1 61 61 TRP CB C 61 28.826 28.826 29.109 -0.283 19231 3233 1 6 . 1 1 61 61 TRP H H 61 7.990 7.990 7.884 0.106 19231 3234 1 6 . 1 1 62 62 ASP N N 62 119.118 119.118 116.414 2.704 19231 3235 1 6 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.706 -0.266 19231 3236 1 6 . 1 1 62 62 ASP C C 62 175.559 175.559 174.531 1.028 19231 3237 1 6 . 1 1 62 62 ASP CA C 62 53.811 53.811 53.597 0.214 19231 3238 1 6 . 1 1 62 62 ASP CB C 62 40.716 40.716 41.873 -1.157 19231 3239 1 6 . 1 1 62 62 ASP H H 62 7.900 7.900 7.572 0.328 19231 3240 1 6 . 1 1 63 63 ASN N N 63 117.586 117.586 118.314 -0.728 19231 3241 1 6 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.358 0.188 19231 3242 1 6 . 1 1 63 63 ASN C C 63 174.737 174.737 173.550 1.187 19231 3243 1 6 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.905 -0.747 19231 3244 1 6 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.374 0.369 19231 3245 1 6 . 1 1 63 63 ASN H H 63 8.080 8.080 8.414 -0.334 19231 3246 1 6 . 1 1 64 64 GLU N N 64 121.831 121.831 121.006 0.825 19231 3247 1 6 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.492 0.088 19231 3248 1 6 . 1 1 64 64 GLU C C 64 174.706 174.706 174.179 0.527 19231 3249 1 6 . 1 1 64 64 GLU CA C 64 54.760 54.760 54.580 0.180 19231 3250 1 6 . 1 1 64 64 GLU CB C 64 29.829 29.829 30.147 -0.318 19231 3251 1 6 . 1 1 64 64 GLU H H 64 8.224 8.224 8.395 -0.171 19231 3252 1 6 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.702 -0.308 19231 3253 1 6 . 1 1 65 65 PRO C C 65 177.312 177.312 176.857 0.455 19231 3254 1 6 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.626 1.198 19231 3255 1 6 . 1 1 65 65 PRO CB C 65 31.871 31.871 32.310 -0.439 19231 3256 1 6 . 1 1 66 66 ALA N N 66 122.755 122.755 123.802 -1.047 19231 3257 1 6 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.232 0.118 19231 3258 1 6 . 1 1 66 66 ALA C C 66 178.352 178.352 178.111 0.241 19231 3259 1 6 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.307 -0.459 19231 3260 1 6 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.698 0.389 19231 3261 1 6 . 1 1 66 66 ALA H H 66 8.465 8.465 8.367 0.098 19231 3262 1 6 . 1 1 67 67 THR N N 67 111.079 111.079 115.721 -4.642 19231 3263 1 6 . 1 1 67 67 THR HA H 67 4.287 4.287 4.224 0.063 19231 3264 1 6 . 1 1 67 67 THR C C 67 175.040 175.040 173.615 1.425 19231 3265 1 6 . 1 1 67 67 THR CA C 67 62.505 62.505 62.496 0.009 19231 3266 1 6 . 1 1 67 67 THR CB C 67 69.187 69.187 69.357 -0.170 19231 3267 1 6 . 1 1 67 67 THR H H 67 8.002 8.002 7.808 0.194 19231 3268 1 6 . 1 1 68 68 ASN N N 68 120.768 120.768 120.292 0.476 19231 3269 1 6 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.647 0.332 19231 3270 1 6 . 1 1 68 68 ASN C C 68 175.250 175.250 174.784 0.466 19231 3271 1 6 . 1 1 68 68 ASN CA C 68 53.036 53.036 53.748 -0.712 19231 3272 1 6 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.784 -0.106 19231 3273 1 6 . 1 1 68 68 ASN H H 68 8.280 8.280 8.498 -0.218 19231 3274 1 6 . 1 1 69 69 THR N N 69 112.288 112.288 115.286 -2.998 19231 3275 1 6 . 1 1 69 69 THR HA H 69 4.480 4.480 4.395 0.085 19231 3276 1 6 . 1 1 69 69 THR C C 69 175.830 175.830 175.179 0.651 19231 3277 1 6 . 1 1 69 69 THR CA C 69 62.328 62.328 63.897 -1.569 19231 3278 1 6 . 1 1 69 69 THR CB C 69 69.927 69.927 69.471 0.456 19231 3279 1 6 . 1 1 69 69 THR H H 69 7.691 7.691 8.294 -0.603 19231 3280 1 6 . 1 1 70 70 LEU N N 70 123.384 123.384 121.440 1.944 19231 3281 1 6 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.489 -0.409 19231 3282 1 6 . 1 1 70 70 LEU C C 70 177.457 177.457 178.032 -0.575 19231 3283 1 6 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.636 -0.028 19231 3284 1 6 . 1 1 70 70 LEU CB C 70 41.494 41.494 40.455 1.039 19231 3285 1 6 . 1 1 70 70 LEU H H 70 8.843 8.843 8.422 0.421 19231 3286 1 6 . 1 1 71 71 GLU N N 71 116.878 116.878 119.044 -2.166 19231 3287 1 6 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.243 -0.538 19231 3288 1 6 . 1 1 71 71 GLU C C 71 179.305 179.305 178.820 0.485 19231 3289 1 6 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.106 2.065 19231 3290 1 6 . 1 1 71 71 GLU CB C 71 28.828 28.828 28.627 0.201 19231 3291 1 6 . 1 1 71 71 GLU H H 71 8.652 8.652 8.825 -0.173 19231 3292 1 6 . 1 1 72 72 VAL N N 72 121.419 121.419 120.365 1.054 19231 3293 1 6 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.872 -0.187 19231 3294 1 6 . 1 1 72 72 VAL C C 72 177.680 177.680 177.460 0.220 19231 3295 1 6 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.149 -0.038 19231 3296 1 6 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.280 0.187 19231 3297 1 6 . 1 1 72 72 VAL H H 72 7.559 7.559 7.892 -0.333 19231 3298 1 6 . 1 1 73 73 HIS N N 73 118.272 118.272 120.321 -2.049 19231 3299 1 6 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.272 0.188 19231 3300 1 6 . 1 1 73 73 HIS C C 73 178.616 178.616 177.946 0.670 19231 3301 1 6 . 1 1 73 73 HIS CA C 73 60.206 60.206 60.393 -0.187 19231 3302 1 6 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.936 1.333 19231 3303 1 6 . 1 1 73 73 HIS H H 73 7.420 7.420 8.161 -0.741 19231 3304 1 6 . 1 1 74 74 ILE N N 74 118.940 118.940 119.487 -0.547 19231 3305 1 6 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.779 -0.209 19231 3306 1 6 . 1 1 74 74 ILE C C 74 177.819 177.819 177.489 0.330 19231 3307 1 6 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.441 -3.498 19231 3308 1 6 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.783 -3.508 19231 3309 1 6 . 1 1 74 74 ILE H H 74 8.515 8.515 7.860 0.655 19231 3310 1 6 . 1 1 75 75 HIS N N 75 120.484 120.484 119.921 0.563 19231 3311 1 6 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.199 0.071 19231 3312 1 6 . 1 1 75 75 HIS C C 75 177.445 177.445 177.426 0.019 19231 3313 1 6 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.088 0.028 19231 3314 1 6 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.781 -0.969 19231 3315 1 6 . 1 1 75 75 HIS H H 75 8.189 8.189 7.989 0.200 19231 3316 1 6 . 1 1 76 76 ASN N N 76 119.098 119.098 117.505 1.593 19231 3317 1 6 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.588 -0.199 19231 3318 1 6 . 1 1 76 76 ASN C C 76 178.615 178.615 178.078 0.537 19231 3319 1 6 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.884 -0.379 19231 3320 1 6 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.567 -1.258 19231 3321 1 6 . 1 1 76 76 ASN H H 76 8.456 8.456 8.248 0.208 19231 3322 1 6 . 1 1 77 77 LEU N N 77 120.517 120.517 122.080 -1.563 19231 3323 1 6 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.321 -0.370 19231 3324 1 6 . 1 1 77 77 LEU C C 77 178.945 178.945 178.348 0.597 19231 3325 1 6 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.474 0.522 19231 3326 1 6 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.529 1.577 19231 3327 1 6 . 1 1 77 77 LEU H H 77 8.579 8.579 8.364 0.215 19231 3328 1 6 . 1 1 78 78 ARG N N 78 119.521 119.521 119.951 -0.430 19231 3329 1 6 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.873 -0.213 19231 3330 1 6 . 1 1 78 78 ARG C C 78 178.766 178.766 178.488 0.278 19231 3331 1 6 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.070 0.365 19231 3332 1 6 . 1 1 78 78 ARG CB C 78 30.834 30.834 29.543 1.291 19231 3333 1 6 . 1 1 78 78 ARG H H 78 8.687 8.687 8.807 -0.120 19231 3334 1 6 . 1 1 79 79 GLU N N 79 116.882 116.882 116.652 0.230 19231 3335 1 6 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.112 -0.183 19231 3336 1 6 . 1 1 79 79 GLU C C 79 178.226 178.226 178.752 -0.526 19231 3337 1 6 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.600 0.066 19231 3338 1 6 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.162 0.389 19231 3339 1 6 . 1 1 79 79 GLU H H 79 7.717 7.717 7.786 -0.069 19231 3340 1 6 . 1 1 80 80 LYS N N 80 116.574 116.574 118.300 -1.726 19231 3341 1 6 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.104 0.148 19231 3342 1 6 . 1 1 80 80 LYS C C 80 178.413 178.413 178.546 -0.133 19231 3343 1 6 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.769 0.292 19231 3344 1 6 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.837 1.601 19231 3345 1 6 . 1 1 80 80 LYS H H 80 7.419 7.419 7.481 -0.062 19231 3346 1 6 . 1 1 81 81 ILE N N 81 108.393 108.393 111.326 -2.933 19231 3347 1 6 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.006 0.678 19231 3348 1 6 . 1 1 81 81 ILE C C 81 174.986 174.986 176.530 -1.544 19231 3349 1 6 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.941 -0.795 19231 3350 1 6 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.381 0.831 19231 3351 1 6 . 1 1 81 81 ILE H H 81 8.162 8.162 7.603 0.559 19231 3352 1 6 . 1 1 82 82 GLY N N 82 113.636 113.636 109.719 3.917 19231 3353 1 6 . 1 1 82 82 GLY C C 82 175.419 175.419 175.074 0.345 19231 3354 1 6 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.859 -0.003 19231 3355 1 6 . 1 1 82 82 GLY H H 82 7.852 7.852 7.641 0.211 19231 3356 1 6 . 1 1 83 83 LYS N N 83 125.732 125.732 122.408 3.324 19231 3357 1 6 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.883 -0.153 19231 3358 1 6 . 1 1 83 83 LYS C C 83 178.177 178.177 178.242 -0.065 19231 3359 1 6 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.965 0.957 19231 3360 1 6 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.782 0.584 19231 3361 1 6 . 1 1 83 83 LYS H H 83 8.511 8.511 7.712 0.799 19231 3362 1 6 . 1 1 84 84 SER N N 84 110.852 110.852 116.675 -5.823 19231 3363 1 6 . 1 1 84 84 SER HA H 84 4.346 4.346 4.219 0.127 19231 3364 1 6 . 1 1 84 84 SER C C 84 175.008 175.008 175.986 -0.978 19231 3365 1 6 . 1 1 84 84 SER CA C 84 58.935 58.935 60.985 -2.050 19231 3366 1 6 . 1 1 84 84 SER CB C 84 63.140 63.140 62.566 0.574 19231 3367 1 6 . 1 1 84 84 SER H H 84 8.438 8.438 8.364 0.074 19231 3368 1 6 . 1 1 85 85 ARG N N 85 118.561 118.561 117.851 0.710 19231 3369 1 6 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.495 -0.265 19231 3370 1 6 . 1 1 85 85 ARG C C 85 176.208 176.208 175.544 0.664 19231 3371 1 6 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.231 1.925 19231 3372 1 6 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.308 0.080 19231 3373 1 6 . 1 1 85 85 ARG H H 85 7.656 7.656 7.735 -0.079 19231 3374 1 6 . 1 1 86 86 ILE N N 86 113.200 113.200 118.120 -4.920 19231 3375 1 6 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.355 0.540 19231 3376 1 6 . 1 1 86 86 ILE C C 86 175.573 175.573 175.387 0.186 19231 3377 1 6 . 1 1 86 86 ILE CA C 86 59.461 59.461 58.797 0.664 19231 3378 1 6 . 1 1 86 86 ILE CB C 86 39.188 39.188 39.980 -0.792 19231 3379 1 6 . 1 1 86 86 ILE H H 86 6.880 6.880 7.989 -1.109 19231 3380 1 6 . 1 1 87 87 ARG N N 87 128.727 128.727 122.739 5.988 19231 3381 1 6 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.686 0.111 19231 3382 1 6 . 1 1 87 87 ARG C C 87 176.501 176.501 174.761 1.740 19231 3383 1 6 . 1 1 87 87 ARG CA C 87 53.664 53.664 55.048 -1.384 19231 3384 1 6 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.242 -1.231 19231 3385 1 6 . 1 1 87 87 ARG H H 87 9.786 9.786 8.367 1.419 19231 3386 1 6 . 1 1 88 88 THR N N 88 122.821 122.821 117.326 5.495 19231 3387 1 6 . 1 1 88 88 THR HA H 88 4.138 4.138 4.126 0.012 19231 3388 1 6 . 1 1 88 88 THR C C 88 173.802 173.802 174.183 -0.381 19231 3389 1 6 . 1 1 88 88 THR CA C 88 63.514 63.514 60.625 2.889 19231 3390 1 6 . 1 1 88 88 THR CB C 88 68.908 68.908 69.821 -0.913 19231 3391 1 6 . 1 1 88 88 THR H H 88 9.421 9.421 8.441 0.980 19231 3392 1 6 . 1 1 89 89 VAL N N 89 130.400 130.400 126.305 4.095 19231 3393 1 6 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.165 0.015 19231 3394 1 6 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.281 0.097 19231 3395 1 6 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.113 -1.227 19231 3396 1 6 . 1 1 89 89 VAL H H 89 8.400 8.400 8.061 0.339 19231 3397 1 6 . 1 1 91 91 GLY C C 91 173.530 173.530 174.092 -0.562 19231 3398 1 6 . 1 1 91 91 GLY CA C 91 45.525 45.525 46.136 -0.611 19231 3399 1 6 . 1 1 92 92 PHE N N 92 119.601 119.601 121.391 -1.790 19231 3400 1 6 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.353 0.088 19231 3401 1 6 . 1 1 92 92 PHE C C 92 174.744 174.744 175.717 -0.973 19231 3402 1 6 . 1 1 92 92 PHE CA C 92 60.054 60.054 60.698 -0.644 19231 3403 1 6 . 1 1 92 92 PHE CB C 92 43.433 43.433 39.960 3.473 19231 3404 1 6 . 1 1 92 92 PHE H H 92 8.332 8.332 7.909 0.423 19231 3405 1 6 . 1 1 93 93 GLY N N 93 105.445 105.445 103.942 1.503 19231 3406 1 6 . 1 1 93 93 GLY C C 93 171.776 171.776 172.735 -0.959 19231 3407 1 6 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.344 2.371 19231 3408 1 6 . 1 1 93 93 GLY H H 93 8.377 8.377 7.807 0.570 19231 3409 1 6 . 1 1 94 94 TYR N N 94 122.471 122.471 116.318 6.153 19231 3410 1 6 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.779 0.651 19231 3411 1 6 . 1 1 94 94 TYR C C 94 172.889 172.889 173.845 -0.956 19231 3412 1 6 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.846 -0.477 19231 3413 1 6 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.955 0.097 19231 3414 1 6 . 1 1 94 94 TYR H H 94 8.475 8.475 8.173 0.302 19231 3415 1 6 . 1 1 95 95 MET N N 95 118.643 118.643 119.722 -1.079 19231 3416 1 6 . 1 1 95 95 MET HA H 95 4.890 4.890 4.855 0.035 19231 3417 1 6 . 1 1 95 95 MET C C 95 173.438 173.438 173.690 -0.252 19231 3418 1 6 . 1 1 95 95 MET CA C 95 54.125 54.125 55.330 -1.205 19231 3419 1 6 . 1 1 95 95 MET CB C 95 39.364 39.364 37.019 2.345 19231 3420 1 6 . 1 1 95 95 MET H H 95 8.936 8.936 8.647 0.289 19231 3421 1 6 . 1 1 96 96 LEU N N 96 130.194 130.194 125.684 4.510 19231 3422 1 6 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.503 0.577 19231 3423 1 6 . 1 1 96 96 LEU C C 96 174.912 174.912 176.439 -1.527 19231 3424 1 6 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.021 -0.539 19231 3425 1 6 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.725 1.031 19231 3426 1 6 . 1 1 96 96 LEU H H 96 9.848 9.848 8.675 1.173 19231 3427 1 6 . 1 1 97 97 ALA N N 97 131.168 131.168 126.958 4.210 19231 3428 1 6 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.144 0.192 19231 3429 1 6 . 1 1 97 97 ALA C C 97 176.560 176.560 177.287 -0.727 19231 3430 1 6 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.765 -0.870 19231 3431 1 6 . 1 1 97 97 ALA CB C 97 20.011 20.011 18.951 1.060 19231 3432 1 6 . 1 1 97 97 ALA H H 97 8.681 8.681 8.659 0.022 19231 3433 1 6 . 1 1 98 98 ASN N N 98 118.268 118.268 124.555 -6.287 19231 3434 1 6 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.551 0.129 19231 3435 1 6 . 1 1 98 98 ASN C C 98 174.939 174.939 174.018 0.921 19231 3436 1 6 . 1 1 98 98 ASN CA C 98 52.429 52.429 52.960 -0.531 19231 3437 1 6 . 1 1 98 98 ASN CB C 98 38.912 38.912 37.953 0.959 19231 3438 1 6 . 1 1 98 98 ASN H H 98 8.654 8.654 8.619 0.035 19231 3439 1 6 . 1 1 99 99 ASN N N 99 117.488 117.488 118.143 -0.655 19231 3440 1 6 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.465 0.335 19231 3441 1 6 . 1 1 99 99 ASN C C 99 174.744 174.744 173.921 0.823 19231 3442 1 6 . 1 1 99 99 ASN CA C 99 53.048 53.048 54.131 -1.083 19231 3443 1 6 . 1 1 99 99 ASN CB C 99 39.039 39.039 36.974 2.065 19231 3444 1 6 . 1 1 99 99 ASN H H 99 8.131 8.131 8.572 -0.441 19231 3445 1 6 . 1 1 100 100 ILE N N 100 118.881 118.881 115.785 3.096 19231 3446 1 6 . 1 1 100 100 ILE HA H 100 4.240 4.240 4.233 0.007 19231 3447 1 6 . 1 1 100 100 ILE C C 100 175.769 175.769 175.724 0.045 19231 3448 1 6 . 1 1 100 100 ILE CA C 100 61.004 61.004 60.932 0.072 19231 3449 1 6 . 1 1 100 100 ILE CB C 100 38.679 38.679 38.764 -0.085 19231 3450 1 6 . 1 1 100 100 ILE H H 100 8.139 8.139 8.303 -0.164 19231 3451 1 6 . 1 1 101 101 ASP N N 101 123.516 123.516 121.160 2.356 19231 3452 1 6 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.506 0.214 19231 3453 1 6 . 1 1 101 101 ASP C C 101 176.210 176.210 176.776 -0.566 19231 3454 1 6 . 1 1 101 101 ASP CA C 101 54.513 54.513 55.776 -1.263 19231 3455 1 6 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.858 0.363 19231 3456 1 6 . 1 1 101 101 ASP H H 101 8.426 8.426 8.462 -0.036 19231 3457 1 6 . 1 1 102 102 THR N N 102 113.358 113.358 117.186 -3.828 19231 3458 1 6 . 1 1 102 102 THR HA H 102 4.360 4.360 4.359 0.001 19231 3459 1 6 . 1 1 102 102 THR C C 102 173.733 173.733 174.845 -1.112 19231 3460 1 6 . 1 1 102 102 THR CA C 102 61.477 61.477 62.623 -1.146 19231 3461 1 6 . 1 1 102 102 THR CB C 102 69.788 69.788 69.115 0.673 19231 3462 1 6 . 1 1 102 102 THR H H 102 8.045 8.045 7.876 0.169 19231 3463 1 7 . 1 1 2 2 GLN N N 2 121.990 121.990 121.959 0.031 19231 3464 1 7 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.318 0.019 19231 3465 1 7 . 1 1 2 2 GLN C C 2 176.320 176.320 176.444 -0.124 19231 3466 1 7 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.355 -0.060 19231 3467 1 7 . 1 1 2 2 GLN CB C 2 29.270 29.270 26.892 2.378 19231 3468 1 7 . 1 1 2 2 GLN H H 2 8.705 8.705 8.517 0.188 19231 3469 1 7 . 1 1 3 3 GLY N N 3 110.481 110.481 109.232 1.249 19231 3470 1 7 . 1 1 3 3 GLY C C 3 174.116 174.116 173.345 0.771 19231 3471 1 7 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.175 -0.060 19231 3472 1 7 . 1 1 3 3 GLY H H 3 8.540 8.540 8.507 0.033 19231 3473 1 7 . 1 1 4 4 ASP N N 4 120.750 120.750 118.501 2.249 19231 3474 1 7 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.708 -0.067 19231 3475 1 7 . 1 1 4 4 ASP C C 4 175.974 175.974 173.424 2.550 19231 3476 1 7 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.516 0.940 19231 3477 1 7 . 1 1 4 4 ASP CB C 4 41.190 41.190 42.459 -1.269 19231 3478 1 7 . 1 1 4 4 ASP H H 4 8.251 8.251 7.739 0.512 19231 3479 1 7 . 1 1 5 5 ASN N N 5 118.421 118.421 117.763 0.658 19231 3480 1 7 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.892 -0.131 19231 3481 1 7 . 1 1 5 5 ASN C C 5 174.017 174.017 173.091 0.926 19231 3482 1 7 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.061 0.293 19231 3483 1 7 . 1 1 5 5 ASN CB C 5 38.936 38.936 41.870 -2.934 19231 3484 1 7 . 1 1 5 5 ASN H H 5 8.513 8.513 8.273 0.240 19231 3485 1 7 . 1 1 6 6 GLU N N 6 120.905 120.905 120.067 0.838 19231 3486 1 7 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.779 0.693 19231 3487 1 7 . 1 1 6 6 GLU C C 6 175.808 175.808 174.597 1.211 19231 3488 1 7 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.821 -0.726 19231 3489 1 7 . 1 1 6 6 GLU CB C 6 33.013 33.013 32.469 0.544 19231 3490 1 7 . 1 1 6 6 GLU H H 6 8.116 8.116 8.377 -0.261 19231 3491 1 7 . 1 1 7 7 ILE N N 7 122.567 122.567 115.081 7.486 19231 3492 1 7 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.728 -0.194 19231 3493 1 7 . 1 1 7 7 ILE C C 7 174.653 174.653 173.839 0.814 19231 3494 1 7 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.680 0.433 19231 3495 1 7 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.784 -0.442 19231 3496 1 7 . 1 1 7 7 ILE H H 7 8.966 8.966 8.497 0.469 19231 3497 1 7 . 1 1 8 8 SER N N 8 120.446 120.446 117.369 3.077 19231 3498 1 7 . 1 1 8 8 SER HA H 8 5.536 5.536 5.568 -0.032 19231 3499 1 7 . 1 1 8 8 SER C C 8 174.082 174.082 173.758 0.324 19231 3500 1 7 . 1 1 8 8 SER CA C 8 57.050 57.050 56.637 0.413 19231 3501 1 7 . 1 1 8 8 SER CB C 8 65.470 65.470 65.388 0.082 19231 3502 1 7 . 1 1 8 8 SER H H 8 8.773 8.773 8.365 0.408 19231 3503 1 7 . 1 1 9 9 VAL N N 9 124.896 124.896 125.168 -0.272 19231 3504 1 7 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.399 -0.209 19231 3505 1 7 . 1 1 9 9 VAL C C 9 176.141 176.141 175.910 0.231 19231 3506 1 7 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.443 -0.145 19231 3507 1 7 . 1 1 9 9 VAL CB C 9 33.763 33.763 31.987 1.776 19231 3508 1 7 . 1 1 9 9 VAL H H 9 8.874 8.874 8.851 0.023 19231 3509 1 7 . 1 1 10 10 GLY N N 10 117.992 117.992 118.087 -0.095 19231 3510 1 7 . 1 1 10 10 GLY C C 10 174.785 174.785 174.840 -0.055 19231 3511 1 7 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.871 0.459 19231 3512 1 7 . 1 1 10 10 GLY H H 10 9.114 9.114 8.730 0.384 19231 3513 1 7 . 1 1 11 11 ASN N N 11 124.908 124.908 123.776 1.132 19231 3514 1 7 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.838 -0.150 19231 3515 1 7 . 1 1 11 11 ASN C C 11 174.765 174.765 174.254 0.511 19231 3516 1 7 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.905 -0.027 19231 3517 1 7 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.480 -2.203 19231 3518 1 7 . 1 1 11 11 ASN H H 11 8.609 8.609 8.372 0.237 19231 3519 1 7 . 1 1 12 12 LEU N N 12 123.550 123.550 122.457 1.093 19231 3520 1 7 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.089 0.326 19231 3521 1 7 . 1 1 12 12 LEU C C 12 175.653 175.653 176.097 -0.444 19231 3522 1 7 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.005 -0.069 19231 3523 1 7 . 1 1 12 12 LEU CB C 12 44.438 44.438 41.817 2.621 19231 3524 1 7 . 1 1 12 12 LEU H H 12 8.256 8.256 7.596 0.660 19231 3525 1 7 . 1 1 13 13 ARG N N 13 124.719 124.719 124.480 0.239 19231 3526 1 7 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.742 0.485 19231 3527 1 7 . 1 1 13 13 ARG C C 13 173.394 173.394 175.082 -1.688 19231 3528 1 7 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.444 -0.428 19231 3529 1 7 . 1 1 13 13 ARG CB C 13 34.507 34.507 31.790 2.717 19231 3530 1 7 . 1 1 13 13 ARG H H 13 9.169 9.169 8.264 0.905 19231 3531 1 7 . 1 1 14 14 LEU N N 14 127.743 127.743 125.792 1.951 19231 3532 1 7 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.801 0.515 19231 3533 1 7 . 1 1 14 14 LEU C C 14 174.807 174.807 175.872 -1.065 19231 3534 1 7 . 1 1 14 14 LEU CA C 14 53.816 53.816 54.164 -0.348 19231 3535 1 7 . 1 1 14 14 LEU CB C 14 45.806 45.806 44.038 1.768 19231 3536 1 7 . 1 1 14 14 LEU H H 14 9.394 9.394 9.117 0.277 19231 3537 1 7 . 1 1 15 15 ASN N N 15 125.577 125.577 121.775 3.802 19231 3538 1 7 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.206 0.201 19231 3539 1 7 . 1 1 15 15 ASN C C 15 175.621 175.621 176.258 -0.637 19231 3540 1 7 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.903 -0.859 19231 3541 1 7 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.223 -0.156 19231 3542 1 7 . 1 1 15 15 ASN H H 15 9.520 9.520 8.690 0.830 19231 3543 1 7 . 1 1 16 16 VAL N N 16 123.478 123.478 125.898 -2.420 19231 3544 1 7 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.931 0.149 19231 3545 1 7 . 1 1 16 16 VAL C C 16 177.902 177.902 176.790 1.112 19231 3546 1 7 . 1 1 16 16 VAL CA C 16 64.414 64.414 64.521 -0.107 19231 3547 1 7 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.825 0.379 19231 3548 1 7 . 1 1 16 16 VAL H H 16 8.759 8.759 8.493 0.266 19231 3549 1 7 . 1 1 17 17 THR N N 17 117.004 117.004 114.988 2.016 19231 3550 1 7 . 1 1 17 17 THR HA H 17 4.340 4.340 4.058 0.282 19231 3551 1 7 . 1 1 17 17 THR C C 17 176.177 176.177 175.803 0.374 19231 3552 1 7 . 1 1 17 17 THR CA C 17 65.922 65.922 65.142 0.780 19231 3553 1 7 . 1 1 17 17 THR CB C 17 68.899 68.899 69.164 -0.265 19231 3554 1 7 . 1 1 17 17 THR H H 17 8.045 8.045 7.609 0.436 19231 3555 1 7 . 1 1 18 18 ARG N N 18 117.565 117.565 117.810 -0.245 19231 3556 1 7 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.435 -0.237 19231 3557 1 7 . 1 1 18 18 ARG C C 18 174.802 174.802 175.719 -0.917 19231 3558 1 7 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.549 0.056 19231 3559 1 7 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.620 0.605 19231 3560 1 7 . 1 1 18 18 ARG H H 18 8.035 8.035 8.258 -0.223 19231 3561 1 7 . 1 1 19 19 ARG N N 19 117.471 117.471 119.089 -1.618 19231 3562 1 7 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.373 0.541 19231 3563 1 7 . 1 1 19 19 ARG C C 19 174.359 174.359 174.152 0.207 19231 3564 1 7 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.272 0.215 19231 3565 1 7 . 1 1 19 19 ARG CB C 19 26.248 26.248 28.323 -2.075 19231 3566 1 7 . 1 1 19 19 ARG H H 19 7.877 7.877 7.793 0.084 19231 3567 1 7 . 1 1 20 20 LEU N N 20 118.701 118.701 121.308 -2.607 19231 3568 1 7 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.573 -0.043 19231 3569 1 7 . 1 1 20 20 LEU C C 20 174.619 174.619 173.563 1.056 19231 3570 1 7 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.969 -1.115 19231 3571 1 7 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.475 0.772 19231 3572 1 7 . 1 1 20 20 LEU H H 20 7.565 7.565 8.073 -0.508 19231 3573 1 7 . 1 1 21 21 VAL N N 21 120.636 120.636 119.492 1.144 19231 3574 1 7 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.063 0.134 19231 3575 1 7 . 1 1 21 21 VAL C C 21 174.036 174.036 174.417 -0.381 19231 3576 1 7 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.673 -0.802 19231 3577 1 7 . 1 1 21 21 VAL CB C 21 34.448 34.448 35.592 -1.144 19231 3578 1 7 . 1 1 21 21 VAL H H 21 8.466 8.466 8.246 0.220 19231 3579 1 7 . 1 1 22 22 TRP N N 22 126.709 126.709 123.896 2.813 19231 3580 1 7 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.311 -0.181 19231 3581 1 7 . 1 1 22 22 TRP C C 22 174.877 174.877 174.683 0.194 19231 3582 1 7 . 1 1 22 22 TRP CA C 22 57.067 57.067 55.990 1.077 19231 3583 1 7 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.317 -0.180 19231 3584 1 7 . 1 1 22 22 TRP H H 22 9.596 9.596 8.635 0.961 19231 3585 1 7 . 1 1 23 23 LEU N N 23 123.443 123.443 125.085 -1.642 19231 3586 1 7 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.681 0.353 19231 3587 1 7 . 1 1 23 23 LEU C C 23 177.552 177.552 175.952 1.600 19231 3588 1 7 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.491 -0.064 19231 3589 1 7 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.244 0.678 19231 3590 1 7 . 1 1 23 23 LEU H H 23 8.834 8.834 9.270 -0.436 19231 3591 1 7 . 1 1 24 24 GLY N N 24 117.546 117.546 115.490 2.056 19231 3592 1 7 . 1 1 24 24 GLY C C 24 174.915 174.915 174.966 -0.051 19231 3593 1 7 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.666 1.554 19231 3594 1 7 . 1 1 24 24 GLY H H 24 9.401 9.401 8.571 0.830 19231 3595 1 7 . 1 1 25 25 GLU N N 25 124.565 124.565 115.432 9.133 19231 3596 1 7 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.927 0.401 19231 3597 1 7 . 1 1 25 25 GLU C C 25 176.350 176.350 175.444 0.906 19231 3598 1 7 . 1 1 25 25 GLU CA C 25 56.400 56.400 57.880 -1.480 19231 3599 1 7 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.597 0.214 19231 3600 1 7 . 1 1 25 25 GLU H H 25 9.051 9.051 8.718 0.333 19231 3601 1 7 . 1 1 26 26 THR N N 26 117.538 117.538 111.234 6.304 19231 3602 1 7 . 1 1 26 26 THR HA H 26 4.305 4.305 4.631 -0.326 19231 3603 1 7 . 1 1 26 26 THR C C 26 173.226 173.226 173.622 -0.396 19231 3604 1 7 . 1 1 26 26 THR CA C 26 62.118 62.118 60.880 1.238 19231 3605 1 7 . 1 1 26 26 THR CB C 26 70.399 70.399 70.838 -0.439 19231 3606 1 7 . 1 1 26 26 THR H H 26 8.140 8.140 7.456 0.684 19231 3607 1 7 . 1 1 27 27 ALA N N 27 131.183 131.183 128.977 2.206 19231 3608 1 7 . 1 1 27 27 ALA HA H 27 4.090 4.090 4.024 0.066 19231 3609 1 7 . 1 1 27 27 ALA C C 27 177.483 177.483 176.799 0.684 19231 3610 1 7 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.179 0.255 19231 3611 1 7 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.906 -0.991 19231 3612 1 7 . 1 1 27 27 ALA H H 27 8.937 8.937 8.681 0.256 19231 3613 1 7 . 1 1 28 28 LEU N N 28 124.160 124.160 125.888 -1.728 19231 3614 1 7 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.457 -0.121 19231 3615 1 7 . 1 1 28 28 LEU C C 28 176.114 176.114 176.218 -0.104 19231 3616 1 7 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.422 -0.816 19231 3617 1 7 . 1 1 28 28 LEU CB C 28 43.322 43.322 44.383 -1.061 19231 3618 1 7 . 1 1 28 28 LEU H H 28 8.663 8.663 7.634 1.029 19231 3619 1 7 . 1 1 29 29 ASP N N 29 124.715 124.715 125.258 -0.543 19231 3620 1 7 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.683 0.027 19231 3621 1 7 . 1 1 29 29 ASP C C 29 174.721 174.721 175.148 -0.427 19231 3622 1 7 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.052 0.272 19231 3623 1 7 . 1 1 29 29 ASP CB C 29 40.336 40.336 39.927 0.409 19231 3624 1 7 . 1 1 29 29 ASP H H 29 8.690 8.690 8.457 0.232 19231 3625 1 7 . 1 1 30 30 LEU N N 30 123.472 123.472 120.235 3.237 19231 3626 1 7 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.852 -0.021 19231 3627 1 7 . 1 1 30 30 LEU C C 30 177.944 177.944 176.437 1.507 19231 3628 1 7 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.522 -0.585 19231 3629 1 7 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.053 -0.073 19231 3630 1 7 . 1 1 30 30 LEU H H 30 7.969 7.969 7.772 0.197 19231 3631 1 7 . 1 1 31 31 THR N N 31 115.969 115.969 112.982 2.987 19231 3632 1 7 . 1 1 31 31 THR HA H 31 4.700 4.700 4.473 0.227 19231 3633 1 7 . 1 1 31 31 THR C C 31 173.645 173.645 174.893 -1.248 19231 3634 1 7 . 1 1 31 31 THR CA C 31 60.704 60.704 59.944 0.760 19231 3635 1 7 . 1 1 31 31 THR CB C 31 67.869 67.869 69.235 -1.366 19231 3636 1 7 . 1 1 31 31 THR H H 31 8.864 8.864 8.301 0.563 19231 3637 1 7 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.068 0.212 19231 3638 1 7 . 1 1 32 32 PRO C C 32 178.657 178.657 178.617 0.040 19231 3639 1 7 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.695 0.809 19231 3640 1 7 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.684 0.295 19231 3641 1 7 . 1 1 33 33 LYS N N 33 116.417 116.417 117.499 -1.082 19231 3642 1 7 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.906 0.018 19231 3643 1 7 . 1 1 33 33 LYS C C 33 178.084 178.084 179.158 -1.074 19231 3644 1 7 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.701 -0.036 19231 3645 1 7 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.775 0.797 19231 3646 1 7 . 1 1 33 33 LYS H H 33 8.044 8.044 8.026 0.018 19231 3647 1 7 . 1 1 34 34 GLU N N 34 118.272 118.272 118.886 -0.614 19231 3648 1 7 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.978 -0.358 19231 3649 1 7 . 1 1 34 34 GLU C C 34 178.512 178.512 178.828 -0.316 19231 3650 1 7 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.290 0.254 19231 3651 1 7 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.143 1.378 19231 3652 1 7 . 1 1 34 34 GLU H H 34 7.376 7.376 7.613 -0.237 19231 3653 1 7 . 1 1 35 35 TYR N N 35 118.351 118.351 119.829 -1.478 19231 3654 1 7 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.080 -0.383 19231 3655 1 7 . 1 1 35 35 TYR C C 35 177.597 177.597 177.027 0.570 19231 3656 1 7 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.286 1.014 19231 3657 1 7 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.194 -0.260 19231 3658 1 7 . 1 1 35 35 TYR H H 35 8.950 8.950 7.696 1.254 19231 3659 1 7 . 1 1 36 36 ALA N N 36 123.913 123.913 122.394 1.519 19231 3660 1 7 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.054 -0.311 19231 3661 1 7 . 1 1 36 36 ALA C C 36 180.061 180.061 179.166 0.895 19231 3662 1 7 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.059 0.354 19231 3663 1 7 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.188 -0.126 19231 3664 1 7 . 1 1 36 36 ALA H H 36 8.147 8.147 7.948 0.199 19231 3665 1 7 . 1 1 37 37 LEU N N 37 116.924 116.924 119.524 -2.600 19231 3666 1 7 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.161 -0.251 19231 3667 1 7 . 1 1 37 37 LEU C C 37 177.760 177.760 179.223 -1.463 19231 3668 1 7 . 1 1 37 37 LEU CA C 37 57.336 57.336 58.222 -0.886 19231 3669 1 7 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.224 1.819 19231 3670 1 7 . 1 1 37 37 LEU H H 37 7.651 7.651 7.526 0.125 19231 3671 1 7 . 1 1 38 38 LEU N N 38 118.232 118.232 120.007 -1.775 19231 3672 1 7 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.794 0.076 19231 3673 1 7 . 1 1 38 38 LEU C C 38 178.524 178.524 178.189 0.335 19231 3674 1 7 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.371 -0.974 19231 3675 1 7 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.184 -0.054 19231 3676 1 7 . 1 1 38 38 LEU H H 38 8.550 8.550 8.278 0.272 19231 3677 1 7 . 1 1 39 39 SER N N 39 113.045 113.045 114.378 -1.333 19231 3678 1 7 . 1 1 39 39 SER HA H 39 3.700 3.700 4.061 -0.361 19231 3679 1 7 . 1 1 39 39 SER C C 39 175.854 175.854 177.051 -1.197 19231 3680 1 7 . 1 1 39 39 SER CA C 39 62.126 62.126 61.502 0.624 19231 3681 1 7 . 1 1 39 39 SER CB C 39 68.227 68.227 62.260 5.967 19231 3682 1 7 . 1 1 39 39 SER H H 39 8.540 8.540 8.045 0.495 19231 3683 1 7 . 1 1 40 40 ARG N N 40 121.521 121.521 122.269 -0.748 19231 3684 1 7 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.248 -0.238 19231 3685 1 7 . 1 1 40 40 ARG C C 40 178.731 178.731 178.585 0.146 19231 3686 1 7 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.151 0.160 19231 3687 1 7 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.976 -1.451 19231 3688 1 7 . 1 1 40 40 ARG H H 40 7.112 7.112 7.355 -0.243 19231 3689 1 7 . 1 1 41 41 LEU N N 41 115.939 115.939 119.777 -3.838 19231 3690 1 7 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.960 0.032 19231 3691 1 7 . 1 1 41 41 LEU C C 41 180.049 180.049 179.535 0.514 19231 3692 1 7 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.458 -0.622 19231 3693 1 7 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.984 0.032 19231 3694 1 7 . 1 1 41 41 LEU H H 41 7.960 7.960 8.137 -0.177 19231 3695 1 7 . 1 1 42 42 MET N N 42 116.335 116.335 116.810 -0.475 19231 3696 1 7 . 1 1 42 42 MET HA H 42 3.877 3.877 4.129 -0.252 19231 3697 1 7 . 1 1 42 42 MET C C 42 178.748 178.748 178.216 0.532 19231 3698 1 7 . 1 1 42 42 MET CA C 42 59.530 59.530 58.394 1.137 19231 3699 1 7 . 1 1 42 42 MET CB C 42 33.449 33.449 32.281 1.168 19231 3700 1 7 . 1 1 42 42 MET H H 42 8.825 8.825 8.640 0.185 19231 3701 1 7 . 1 1 43 43 MET N N 43 119.000 119.000 119.748 -0.748 19231 3702 1 7 . 1 1 43 43 MET HA H 43 4.137 4.137 4.262 -0.125 19231 3703 1 7 . 1 1 43 43 MET C C 43 176.813 176.813 176.568 0.245 19231 3704 1 7 . 1 1 43 43 MET CA C 43 58.405 58.405 58.072 0.333 19231 3705 1 7 . 1 1 43 43 MET CB C 43 32.382 32.382 32.855 -0.473 19231 3706 1 7 . 1 1 43 43 MET H H 43 8.250 8.250 7.593 0.657 19231 3707 1 7 . 1 1 44 44 LYS N N 44 117.715 117.715 117.298 0.417 19231 3708 1 7 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.530 0.101 19231 3709 1 7 . 1 1 44 44 LYS C C 44 175.226 175.226 174.953 0.273 19231 3710 1 7 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.726 -1.900 19231 3711 1 7 . 1 1 44 44 LYS CB C 44 31.471 31.471 33.002 -1.531 19231 3712 1 7 . 1 1 44 44 LYS H H 44 7.088 7.088 7.402 -0.314 19231 3713 1 7 . 1 1 45 45 ALA N N 45 122.613 122.613 122.150 0.463 19231 3714 1 7 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.267 0.052 19231 3715 1 7 . 1 1 45 45 ALA C C 45 178.994 178.994 178.240 0.754 19231 3716 1 7 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.737 0.937 19231 3717 1 7 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.854 0.543 19231 3718 1 7 . 1 1 45 45 ALA H H 45 6.952 6.952 7.803 -0.851 19231 3719 1 7 . 1 1 46 46 GLY N N 46 109.561 109.561 110.965 -1.404 19231 3720 1 7 . 1 1 46 46 GLY C C 46 173.547 173.547 174.229 -0.682 19231 3721 1 7 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.039 0.427 19231 3722 1 7 . 1 1 46 46 GLY H H 46 8.944 8.944 8.708 0.236 19231 3723 1 7 . 1 1 47 47 SER N N 47 116.886 116.886 116.053 0.833 19231 3724 1 7 . 1 1 47 47 SER HA H 47 5.130 5.130 4.978 0.152 19231 3725 1 7 . 1 1 47 47 SER C C 47 170.481 170.481 171.869 -1.388 19231 3726 1 7 . 1 1 47 47 SER CA C 47 55.988 55.988 55.367 0.620 19231 3727 1 7 . 1 1 47 47 SER CB C 47 65.098 65.098 64.948 0.149 19231 3728 1 7 . 1 1 47 47 SER H H 47 8.759 8.759 7.750 1.009 19231 3729 1 7 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.894 -0.476 19231 3730 1 7 . 1 1 48 48 PRO C C 48 175.854 175.854 176.489 -0.635 19231 3731 1 7 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.486 -0.040 19231 3732 1 7 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.222 0.687 19231 3733 1 7 . 1 1 49 49 VAL N N 49 124.173 124.173 124.103 0.070 19231 3734 1 7 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.300 0.111 19231 3735 1 7 . 1 1 49 49 VAL C C 49 175.186 175.186 175.735 -0.549 19231 3736 1 7 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.015 0.444 19231 3737 1 7 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.715 -0.219 19231 3738 1 7 . 1 1 49 49 VAL H H 49 9.235 9.235 8.619 0.616 19231 3739 1 7 . 1 1 50 50 HIS N N 50 128.035 128.035 126.332 1.703 19231 3740 1 7 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.292 -0.722 19231 3741 1 7 . 1 1 50 50 HIS C C 50 177.130 177.130 176.517 0.613 19231 3742 1 7 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.908 2.545 19231 3743 1 7 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.031 1.511 19231 3744 1 7 . 1 1 50 50 HIS H H 50 8.791 8.791 8.879 -0.088 19231 3745 1 7 . 1 1 51 51 ARG N N 51 125.631 125.631 126.665 -1.034 19231 3746 1 7 . 1 1 51 51 ARG HA H 51 3.880 3.880 4.007 -0.127 19231 3747 1 7 . 1 1 51 51 ARG C C 51 176.786 176.786 177.726 -0.940 19231 3748 1 7 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.090 0.989 19231 3749 1 7 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.941 0.209 19231 3750 1 7 . 1 1 51 51 ARG H H 51 8.544 8.544 8.262 0.282 19231 3751 1 7 . 1 1 52 52 GLU N N 52 120.964 120.964 120.054 0.910 19231 3752 1 7 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.952 0.128 19231 3753 1 7 . 1 1 52 52 GLU C C 52 179.334 179.334 178.433 0.901 19231 3754 1 7 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.448 1.321 19231 3755 1 7 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.473 0.755 19231 3756 1 7 . 1 1 52 52 GLU H H 52 10.831 10.831 7.450 3.381 19231 3757 1 7 . 1 1 53 53 ILE N N 53 119.337 119.337 119.301 0.036 19231 3758 1 7 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.704 0.167 19231 3759 1 7 . 1 1 53 53 ILE C C 53 178.080 178.080 178.264 -0.184 19231 3760 1 7 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.318 -1.208 19231 3761 1 7 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.793 -0.297 19231 3762 1 7 . 1 1 53 53 ILE H H 53 7.239 7.239 7.415 -0.176 19231 3763 1 7 . 1 1 54 54 LEU N N 54 118.502 118.502 118.371 0.131 19231 3764 1 7 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.260 -0.100 19231 3765 1 7 . 1 1 54 54 LEU C C 54 178.676 178.676 178.894 -0.218 19231 3766 1 7 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.000 0.074 19231 3767 1 7 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.459 -0.136 19231 3768 1 7 . 1 1 54 54 LEU H H 54 7.198 7.198 7.335 -0.137 19231 3769 1 7 . 1 1 55 55 TYR N N 55 117.114 117.114 119.801 -2.687 19231 3770 1 7 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.170 -0.035 19231 3771 1 7 . 1 1 55 55 TYR C C 55 177.987 177.987 177.345 0.642 19231 3772 1 7 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.344 -0.207 19231 3773 1 7 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.629 -0.522 19231 3774 1 7 . 1 1 55 55 TYR H H 55 8.872 8.872 7.812 1.060 19231 3775 1 7 . 1 1 56 56 ASN N N 56 116.720 116.720 117.359 -0.639 19231 3776 1 7 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.575 -0.090 19231 3777 1 7 . 1 1 56 56 ASN C C 56 177.439 177.439 176.162 1.277 19231 3778 1 7 . 1 1 56 56 ASN CA C 56 56.013 56.013 56.519 -0.506 19231 3779 1 7 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.196 0.095 19231 3780 1 7 . 1 1 56 56 ASN H H 56 7.796 7.796 7.779 0.017 19231 3781 1 7 . 1 1 57 57 ASP N N 57 118.532 118.532 120.083 -1.551 19231 3782 1 7 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.353 0.187 19231 3783 1 7 . 1 1 57 57 ASP C C 57 177.886 177.886 178.005 -0.119 19231 3784 1 7 . 1 1 57 57 ASP CA C 57 57.086 57.086 57.226 -0.140 19231 3785 1 7 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.500 0.380 19231 3786 1 7 . 1 1 57 57 ASP H H 57 7.842 7.842 7.417 0.425 19231 3787 1 7 . 1 1 58 58 ILE N N 58 109.975 109.975 116.931 -6.956 19231 3788 1 7 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.717 0.583 19231 3789 1 7 . 1 1 58 58 ILE C C 58 175.916 175.916 176.061 -0.145 19231 3790 1 7 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.898 -1.558 19231 3791 1 7 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.121 0.709 19231 3792 1 7 . 1 1 58 58 ILE H H 58 7.277 7.277 7.321 -0.044 19231 3793 1 7 . 1 1 59 59 TYR N N 59 122.761 122.761 119.617 3.144 19231 3794 1 7 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.307 -0.011 19231 3795 1 7 . 1 1 59 59 TYR C C 59 176.037 176.037 174.491 1.546 19231 3796 1 7 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.700 1.470 19231 3797 1 7 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.226 -0.949 19231 3798 1 7 . 1 1 59 59 TYR H H 59 7.788 7.788 7.389 0.399 19231 3799 1 7 . 1 1 60 60 SER N N 60 117.350 117.350 116.973 0.377 19231 3800 1 7 . 1 1 60 60 SER HA H 60 4.292 4.292 4.685 -0.393 19231 3801 1 7 . 1 1 60 60 SER C C 60 174.206 174.206 173.703 0.503 19231 3802 1 7 . 1 1 60 60 SER CA C 60 57.976 57.976 58.466 -0.490 19231 3803 1 7 . 1 1 60 60 SER CB C 60 63.884 63.884 64.120 -0.236 19231 3804 1 7 . 1 1 60 60 SER H H 60 7.721 7.721 8.718 -0.997 19231 3805 1 7 . 1 1 61 61 TRP N N 61 122.170 122.170 116.786 5.384 19231 3806 1 7 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.984 -0.507 19231 3807 1 7 . 1 1 61 61 TRP C C 61 175.798 175.798 175.261 0.537 19231 3808 1 7 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.589 0.274 19231 3809 1 7 . 1 1 61 61 TRP CB C 61 28.826 28.826 30.125 -1.298 19231 3810 1 7 . 1 1 61 61 TRP H H 61 7.990 7.990 7.481 0.509 19231 3811 1 7 . 1 1 62 62 ASP N N 62 119.118 119.118 121.315 -2.197 19231 3812 1 7 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.094 0.346 19231 3813 1 7 . 1 1 62 62 ASP C C 62 175.559 175.559 175.529 0.030 19231 3814 1 7 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.274 -1.463 19231 3815 1 7 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.241 0.475 19231 3816 1 7 . 1 1 62 62 ASP H H 62 7.900 7.900 7.140 0.760 19231 3817 1 7 . 1 1 63 63 ASN N N 63 117.586 117.586 117.351 0.235 19231 3818 1 7 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.464 0.082 19231 3819 1 7 . 1 1 63 63 ASN C C 63 174.737 174.737 173.772 0.965 19231 3820 1 7 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.309 -0.150 19231 3821 1 7 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.493 0.250 19231 3822 1 7 . 1 1 63 63 ASN H H 63 8.080 8.080 7.973 0.107 19231 3823 1 7 . 1 1 64 64 GLU N N 64 121.831 121.831 121.169 0.662 19231 3824 1 7 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.575 0.005 19231 3825 1 7 . 1 1 64 64 GLU C C 64 174.706 174.706 173.855 0.851 19231 3826 1 7 . 1 1 64 64 GLU CA C 64 54.760 54.760 54.645 0.115 19231 3827 1 7 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.913 -0.083 19231 3828 1 7 . 1 1 64 64 GLU H H 64 8.224 8.224 8.091 0.133 19231 3829 1 7 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.169 0.225 19231 3830 1 7 . 1 1 65 65 PRO C C 65 177.312 177.312 176.075 1.237 19231 3831 1 7 . 1 1 65 65 PRO CA C 65 63.824 63.824 63.355 0.469 19231 3832 1 7 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.611 0.260 19231 3833 1 7 . 1 1 66 66 ALA N N 66 122.755 122.755 128.328 -5.573 19231 3834 1 7 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.115 0.235 19231 3835 1 7 . 1 1 66 66 ALA C C 66 178.352 178.352 177.611 0.741 19231 3836 1 7 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.403 -0.555 19231 3837 1 7 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.639 0.447 19231 3838 1 7 . 1 1 66 66 ALA H H 66 8.465 8.465 8.564 -0.099 19231 3839 1 7 . 1 1 67 67 THR N N 67 111.079 111.079 109.599 1.480 19231 3840 1 7 . 1 1 67 67 THR HA H 67 4.287 4.287 3.846 0.441 19231 3841 1 7 . 1 1 67 67 THR C C 67 175.040 175.040 173.389 1.651 19231 3842 1 7 . 1 1 67 67 THR CA C 67 62.505 62.505 63.584 -1.079 19231 3843 1 7 . 1 1 67 67 THR CB C 67 69.187 69.187 67.525 1.663 19231 3844 1 7 . 1 1 67 67 THR H H 67 8.002 8.002 8.043 -0.041 19231 3845 1 7 . 1 1 68 68 ASN N N 68 120.768 120.768 116.559 4.209 19231 3846 1 7 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.745 0.234 19231 3847 1 7 . 1 1 68 68 ASN C C 68 175.250 175.250 174.705 0.545 19231 3848 1 7 . 1 1 68 68 ASN CA C 68 53.036 53.036 52.543 0.493 19231 3849 1 7 . 1 1 68 68 ASN CB C 68 38.678 38.678 39.779 -1.101 19231 3850 1 7 . 1 1 68 68 ASN H H 68 8.280 8.280 7.310 0.970 19231 3851 1 7 . 1 1 69 69 THR N N 69 112.288 112.288 111.896 0.392 19231 3852 1 7 . 1 1 69 69 THR HA H 69 4.480 4.480 3.712 0.768 19231 3853 1 7 . 1 1 69 69 THR C C 69 175.830 175.830 174.977 0.853 19231 3854 1 7 . 1 1 69 69 THR CA C 69 62.328 62.328 64.744 -2.416 19231 3855 1 7 . 1 1 69 69 THR CB C 69 69.927 69.927 66.843 3.084 19231 3856 1 7 . 1 1 69 69 THR H H 69 7.691 7.691 8.488 -0.797 19231 3857 1 7 . 1 1 70 70 LEU N N 70 123.384 123.384 117.577 5.807 19231 3858 1 7 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.215 -0.135 19231 3859 1 7 . 1 1 70 70 LEU C C 70 177.457 177.457 177.782 -0.325 19231 3860 1 7 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.121 0.487 19231 3861 1 7 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.609 -0.115 19231 3862 1 7 . 1 1 70 70 LEU H H 70 8.843 8.843 7.586 1.257 19231 3863 1 7 . 1 1 71 71 GLU N N 71 116.878 116.878 119.229 -2.351 19231 3864 1 7 . 1 1 71 71 GLU HA H 71 3.705 3.705 3.941 -0.236 19231 3865 1 7 . 1 1 71 71 GLU C C 71 179.305 179.305 177.710 1.595 19231 3866 1 7 . 1 1 71 71 GLU CA C 71 61.171 61.171 58.845 2.326 19231 3867 1 7 . 1 1 71 71 GLU CB C 71 28.828 28.828 28.719 0.109 19231 3868 1 7 . 1 1 71 71 GLU H H 71 8.652 8.652 8.381 0.271 19231 3869 1 7 . 1 1 72 72 VAL N N 72 121.419 121.419 120.613 0.806 19231 3870 1 7 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.472 0.213 19231 3871 1 7 . 1 1 72 72 VAL C C 72 177.680 177.680 177.961 -0.281 19231 3872 1 7 . 1 1 72 72 VAL CA C 72 66.111 66.111 65.298 0.813 19231 3873 1 7 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.316 0.151 19231 3874 1 7 . 1 1 72 72 VAL H H 72 7.559 7.559 7.600 -0.041 19231 3875 1 7 . 1 1 73 73 HIS N N 73 118.272 118.272 118.952 -0.680 19231 3876 1 7 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.276 0.184 19231 3877 1 7 . 1 1 73 73 HIS C C 73 178.616 178.616 178.366 0.250 19231 3878 1 7 . 1 1 73 73 HIS CA C 73 60.206 60.206 58.978 1.228 19231 3879 1 7 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.054 2.215 19231 3880 1 7 . 1 1 73 73 HIS H H 73 7.420 7.420 7.673 -0.253 19231 3881 1 7 . 1 1 74 74 ILE N N 74 118.940 118.940 119.946 -1.006 19231 3882 1 7 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.671 -0.101 19231 3883 1 7 . 1 1 74 74 ILE C C 74 177.819 177.819 177.743 0.076 19231 3884 1 7 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.540 -3.597 19231 3885 1 7 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.678 -3.403 19231 3886 1 7 . 1 1 74 74 ILE H H 74 8.515 8.515 7.849 0.666 19231 3887 1 7 . 1 1 75 75 HIS N N 75 120.484 120.484 119.030 1.454 19231 3888 1 7 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.180 0.090 19231 3889 1 7 . 1 1 75 75 HIS C C 75 177.445 177.445 177.769 -0.324 19231 3890 1 7 . 1 1 75 75 HIS CA C 75 60.116 60.116 59.371 0.745 19231 3891 1 7 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.840 -1.028 19231 3892 1 7 . 1 1 75 75 HIS H H 75 8.189 8.189 8.053 0.136 19231 3893 1 7 . 1 1 76 76 ASN N N 76 119.098 119.098 118.232 0.866 19231 3894 1 7 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.576 -0.187 19231 3895 1 7 . 1 1 76 76 ASN C C 76 178.615 178.615 177.675 0.940 19231 3896 1 7 . 1 1 76 76 ASN CA C 76 55.505 55.505 56.239 -0.734 19231 3897 1 7 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.563 -1.254 19231 3898 1 7 . 1 1 76 76 ASN H H 76 8.456 8.456 8.341 0.115 19231 3899 1 7 . 1 1 77 77 LEU N N 77 120.517 120.517 121.848 -1.331 19231 3900 1 7 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.170 -0.219 19231 3901 1 7 . 1 1 77 77 LEU C C 77 178.945 178.945 178.013 0.932 19231 3902 1 7 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.772 0.224 19231 3903 1 7 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.561 1.545 19231 3904 1 7 . 1 1 77 77 LEU H H 77 8.579 8.579 8.334 0.245 19231 3905 1 7 . 1 1 78 78 ARG N N 78 119.521 119.521 119.995 -0.474 19231 3906 1 7 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.793 -0.133 19231 3907 1 7 . 1 1 78 78 ARG C C 78 178.766 178.766 178.449 0.317 19231 3908 1 7 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.086 -0.651 19231 3909 1 7 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.130 0.704 19231 3910 1 7 . 1 1 78 78 ARG H H 78 8.687 8.687 8.881 -0.194 19231 3911 1 7 . 1 1 79 79 GLU N N 79 116.882 116.882 116.644 0.238 19231 3912 1 7 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.088 -0.159 19231 3913 1 7 . 1 1 79 79 GLU C C 79 178.226 178.226 178.711 -0.485 19231 3914 1 7 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.795 -0.129 19231 3915 1 7 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.296 0.255 19231 3916 1 7 . 1 1 79 79 GLU H H 79 7.717 7.717 7.824 -0.107 19231 3917 1 7 . 1 1 80 80 LYS N N 80 116.574 116.574 118.092 -1.518 19231 3918 1 7 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.094 0.158 19231 3919 1 7 . 1 1 80 80 LYS C C 80 178.413 178.413 178.802 -0.389 19231 3920 1 7 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.586 0.475 19231 3921 1 7 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.865 1.573 19231 3922 1 7 . 1 1 80 80 LYS H H 80 7.419 7.419 7.651 -0.232 19231 3923 1 7 . 1 1 81 81 ILE N N 81 108.393 108.393 111.963 -3.570 19231 3924 1 7 . 1 1 81 81 ILE HA H 81 4.684 4.684 3.960 0.724 19231 3925 1 7 . 1 1 81 81 ILE C C 81 174.986 174.986 176.516 -1.530 19231 3926 1 7 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.796 -0.650 19231 3927 1 7 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.212 1.000 19231 3928 1 7 . 1 1 81 81 ILE H H 81 8.162 8.162 7.671 0.491 19231 3929 1 7 . 1 1 82 82 GLY N N 82 113.636 113.636 109.766 3.870 19231 3930 1 7 . 1 1 82 82 GLY C C 82 175.419 175.419 175.240 0.179 19231 3931 1 7 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.942 -0.086 19231 3932 1 7 . 1 1 82 82 GLY H H 82 7.852 7.852 7.676 0.176 19231 3933 1 7 . 1 1 83 83 LYS N N 83 125.732 125.732 121.851 3.881 19231 3934 1 7 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.961 -0.231 19231 3935 1 7 . 1 1 83 83 LYS C C 83 178.177 178.177 178.445 -0.268 19231 3936 1 7 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.856 1.066 19231 3937 1 7 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.867 0.499 19231 3938 1 7 . 1 1 83 83 LYS H H 83 8.511 8.511 8.089 0.422 19231 3939 1 7 . 1 1 84 84 SER N N 84 110.852 110.852 116.986 -6.134 19231 3940 1 7 . 1 1 84 84 SER HA H 84 4.346 4.346 4.139 0.207 19231 3941 1 7 . 1 1 84 84 SER C C 84 175.008 175.008 175.671 -0.663 19231 3942 1 7 . 1 1 84 84 SER CA C 84 58.935 58.935 61.327 -2.392 19231 3943 1 7 . 1 1 84 84 SER CB C 84 63.140 63.140 62.859 0.281 19231 3944 1 7 . 1 1 84 84 SER H H 84 8.438 8.438 8.319 0.119 19231 3945 1 7 . 1 1 85 85 ARG N N 85 118.561 118.561 116.746 1.815 19231 3946 1 7 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.463 -0.234 19231 3947 1 7 . 1 1 85 85 ARG C C 85 176.208 176.208 175.194 1.014 19231 3948 1 7 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.309 1.847 19231 3949 1 7 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.075 0.313 19231 3950 1 7 . 1 1 85 85 ARG H H 85 7.656 7.656 7.688 -0.032 19231 3951 1 7 . 1 1 86 86 ILE N N 86 113.200 113.200 117.891 -4.691 19231 3952 1 7 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.380 0.515 19231 3953 1 7 . 1 1 86 86 ILE C C 86 175.573 175.573 175.618 -0.045 19231 3954 1 7 . 1 1 86 86 ILE CA C 86 59.461 59.461 58.905 0.556 19231 3955 1 7 . 1 1 86 86 ILE CB C 86 39.188 39.188 40.123 -0.935 19231 3956 1 7 . 1 1 86 86 ILE H H 86 6.880 6.880 7.837 -0.957 19231 3957 1 7 . 1 1 87 87 ARG N N 87 128.727 128.727 121.195 7.532 19231 3958 1 7 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.746 0.051 19231 3959 1 7 . 1 1 87 87 ARG C C 87 176.501 176.501 175.143 1.358 19231 3960 1 7 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.952 -1.288 19231 3961 1 7 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.299 -1.288 19231 3962 1 7 . 1 1 87 87 ARG H H 87 9.786 9.786 8.379 1.407 19231 3963 1 7 . 1 1 88 88 THR N N 88 122.821 122.821 115.169 7.652 19231 3964 1 7 . 1 1 88 88 THR HA H 88 4.138 4.138 4.075 0.063 19231 3965 1 7 . 1 1 88 88 THR C C 88 173.802 173.802 174.284 -0.482 19231 3966 1 7 . 1 1 88 88 THR CA C 88 63.514 63.514 61.323 2.191 19231 3967 1 7 . 1 1 88 88 THR CB C 88 68.908 68.908 69.492 -0.584 19231 3968 1 7 . 1 1 88 88 THR H H 88 9.421 9.421 8.490 0.931 19231 3969 1 7 . 1 1 89 89 VAL N N 89 130.400 130.400 127.922 2.478 19231 3970 1 7 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.201 -0.021 19231 3971 1 7 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.493 -0.116 19231 3972 1 7 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.309 -0.423 19231 3973 1 7 . 1 1 89 89 VAL H H 89 8.400 8.400 8.004 0.396 19231 3974 1 7 . 1 1 91 91 GLY C C 91 173.530 173.530 173.375 0.155 19231 3975 1 7 . 1 1 91 91 GLY CA C 91 45.525 45.525 44.840 0.685 19231 3976 1 7 . 1 1 92 92 PHE N N 92 119.601 119.601 120.834 -1.233 19231 3977 1 7 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.665 -0.225 19231 3978 1 7 . 1 1 92 92 PHE C C 92 174.744 174.744 173.410 1.334 19231 3979 1 7 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.190 1.864 19231 3980 1 7 . 1 1 92 92 PHE CB C 92 43.433 43.433 41.959 1.474 19231 3981 1 7 . 1 1 92 92 PHE H H 92 8.332 8.332 7.774 0.558 19231 3982 1 7 . 1 1 93 93 GLY N N 93 105.445 105.445 105.692 -0.247 19231 3983 1 7 . 1 1 93 93 GLY C C 93 171.776 171.776 172.089 -0.313 19231 3984 1 7 . 1 1 93 93 GLY CA C 93 46.715 46.715 45.911 0.804 19231 3985 1 7 . 1 1 93 93 GLY H H 93 8.377 8.377 7.375 1.002 19231 3986 1 7 . 1 1 94 94 TYR N N 94 122.471 122.471 117.735 4.736 19231 3987 1 7 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.804 0.626 19231 3988 1 7 . 1 1 94 94 TYR C C 94 172.889 172.889 173.547 -0.658 19231 3989 1 7 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.895 -0.526 19231 3990 1 7 . 1 1 94 94 TYR CB C 94 44.052 44.052 44.051 0.001 19231 3991 1 7 . 1 1 94 94 TYR H H 94 8.475 8.475 7.964 0.511 19231 3992 1 7 . 1 1 95 95 MET N N 95 118.643 118.643 118.262 0.381 19231 3993 1 7 . 1 1 95 95 MET HA H 95 4.890 4.890 4.834 0.056 19231 3994 1 7 . 1 1 95 95 MET C C 95 173.438 173.438 173.722 -0.284 19231 3995 1 7 . 1 1 95 95 MET CA C 95 54.125 54.125 55.551 -1.426 19231 3996 1 7 . 1 1 95 95 MET CB C 95 39.364 39.364 36.742 2.622 19231 3997 1 7 . 1 1 95 95 MET H H 95 8.936 8.936 8.502 0.434 19231 3998 1 7 . 1 1 96 96 LEU N N 96 130.194 130.194 125.072 5.122 19231 3999 1 7 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.502 0.578 19231 4000 1 7 . 1 1 96 96 LEU C C 96 174.912 174.912 176.357 -1.445 19231 4001 1 7 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.272 -0.790 19231 4002 1 7 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.844 0.912 19231 4003 1 7 . 1 1 96 96 LEU H H 96 9.848 9.848 8.681 1.167 19231 4004 1 7 . 1 1 97 97 ALA N N 97 131.168 131.168 125.659 5.509 19231 4005 1 7 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.261 0.075 19231 4006 1 7 . 1 1 97 97 ALA C C 97 176.560 176.560 177.207 -0.647 19231 4007 1 7 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.308 -0.413 19231 4008 1 7 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.189 0.821 19231 4009 1 7 . 1 1 97 97 ALA H H 97 8.681 8.681 8.502 0.179 19231 4010 1 7 . 1 1 98 98 ASN N N 98 118.268 118.268 120.694 -2.426 19231 4011 1 7 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.466 0.214 19231 4012 1 7 . 1 1 98 98 ASN C C 98 174.939 174.939 173.896 1.043 19231 4013 1 7 . 1 1 98 98 ASN CA C 98 52.429 52.429 54.259 -1.830 19231 4014 1 7 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.887 0.025 19231 4015 1 7 . 1 1 98 98 ASN H H 98 8.654 8.654 8.847 -0.193 19231 4016 1 7 . 1 1 99 99 ASN N N 99 117.488 117.488 112.495 4.993 19231 4017 1 7 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.739 0.061 19231 4018 1 7 . 1 1 99 99 ASN C C 99 174.744 174.744 175.183 -0.439 19231 4019 1 7 . 1 1 99 99 ASN CA C 99 53.048 53.048 52.633 0.415 19231 4020 1 7 . 1 1 99 99 ASN CB C 99 39.039 39.039 40.059 -1.020 19231 4021 1 7 . 1 1 99 99 ASN H H 99 8.131 8.131 7.545 0.586 19231 4022 1 7 . 1 1 100 100 ILE N N 100 118.881 118.881 121.344 -2.463 19231 4023 1 7 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.926 0.314 19231 4024 1 7 . 1 1 100 100 ILE C C 100 175.769 175.769 175.783 -0.014 19231 4025 1 7 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.378 -1.374 19231 4026 1 7 . 1 1 100 100 ILE CB C 100 38.679 38.679 36.809 1.869 19231 4027 1 7 . 1 1 100 100 ILE H H 100 8.139 8.139 8.783 -0.644 19231 4028 1 7 . 1 1 101 101 ASP N N 101 123.516 123.516 117.999 5.517 19231 4029 1 7 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.573 0.147 19231 4030 1 7 . 1 1 101 101 ASP C C 101 176.210 176.210 176.706 -0.496 19231 4031 1 7 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.271 0.242 19231 4032 1 7 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.821 0.400 19231 4033 1 7 . 1 1 101 101 ASP H H 101 8.426 8.426 8.139 0.287 19231 4034 1 7 . 1 1 102 102 THR N N 102 113.358 113.358 115.859 -2.501 19231 4035 1 7 . 1 1 102 102 THR HA H 102 4.360 4.360 3.992 0.368 19231 4036 1 7 . 1 1 102 102 THR C C 102 173.733 173.733 174.683 -0.950 19231 4037 1 7 . 1 1 102 102 THR CA C 102 61.477 61.477 64.038 -2.561 19231 4038 1 7 . 1 1 102 102 THR CB C 102 69.788 69.788 69.831 -0.043 19231 4039 1 7 . 1 1 102 102 THR H H 102 8.045 8.045 7.811 0.234 19231 4040 1 8 . 1 1 2 2 GLN N N 2 121.990 121.990 117.881 4.109 19231 4041 1 8 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.080 0.257 19231 4042 1 8 . 1 1 2 2 GLN C C 2 176.320 176.320 176.347 -0.027 19231 4043 1 8 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.441 -0.146 19231 4044 1 8 . 1 1 2 2 GLN CB C 2 29.270 29.270 28.178 1.092 19231 4045 1 8 . 1 1 2 2 GLN H H 2 8.705 8.705 8.562 0.143 19231 4046 1 8 . 1 1 3 3 GLY N N 3 110.481 110.481 105.781 4.700 19231 4047 1 8 . 1 1 3 3 GLY C C 3 174.116 174.116 174.214 -0.098 19231 4048 1 8 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.188 -0.073 19231 4049 1 8 . 1 1 3 3 GLY H H 3 8.540 8.540 8.219 0.321 19231 4050 1 8 . 1 1 4 4 ASP N N 4 120.750 120.750 121.230 -0.480 19231 4051 1 8 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.716 -0.075 19231 4052 1 8 . 1 1 4 4 ASP C C 4 175.974 175.974 174.931 1.043 19231 4053 1 8 . 1 1 4 4 ASP CA C 4 54.456 54.456 54.047 0.409 19231 4054 1 8 . 1 1 4 4 ASP CB C 4 41.190 41.190 40.039 1.151 19231 4055 1 8 . 1 1 4 4 ASP H H 4 8.251 8.251 8.073 0.178 19231 4056 1 8 . 1 1 5 5 ASN N N 5 118.421 118.421 122.224 -3.803 19231 4057 1 8 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.768 -0.007 19231 4058 1 8 . 1 1 5 5 ASN C C 5 174.017 174.017 172.794 1.223 19231 4059 1 8 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.607 -0.253 19231 4060 1 8 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.132 -1.196 19231 4061 1 8 . 1 1 5 5 ASN H H 5 8.513 8.513 8.255 0.258 19231 4062 1 8 . 1 1 6 6 GLU N N 6 120.905 120.905 121.971 -1.066 19231 4063 1 8 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.144 0.328 19231 4064 1 8 . 1 1 6 6 GLU C C 6 175.808 175.808 174.643 1.165 19231 4065 1 8 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.761 -0.666 19231 4066 1 8 . 1 1 6 6 GLU CB C 6 33.013 33.013 32.595 0.418 19231 4067 1 8 . 1 1 6 6 GLU H H 6 8.116 8.116 8.275 -0.159 19231 4068 1 8 . 1 1 7 7 ILE N N 7 122.567 122.567 115.328 7.239 19231 4069 1 8 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.758 -0.224 19231 4070 1 8 . 1 1 7 7 ILE C C 7 174.653 174.653 174.234 0.419 19231 4071 1 8 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.896 0.217 19231 4072 1 8 . 1 1 7 7 ILE CB C 7 41.342 41.342 42.032 -0.690 19231 4073 1 8 . 1 1 7 7 ILE H H 7 8.966 8.966 8.673 0.293 19231 4074 1 8 . 1 1 8 8 SER N N 8 120.446 120.446 116.849 3.597 19231 4075 1 8 . 1 1 8 8 SER HA H 8 5.536 5.536 5.529 0.007 19231 4076 1 8 . 1 1 8 8 SER C C 8 174.082 174.082 173.455 0.627 19231 4077 1 8 . 1 1 8 8 SER CA C 8 57.050 57.050 57.592 -0.542 19231 4078 1 8 . 1 1 8 8 SER CB C 8 65.470 65.470 66.489 -1.018 19231 4079 1 8 . 1 1 8 8 SER H H 8 8.773 8.773 8.279 0.494 19231 4080 1 8 . 1 1 9 9 VAL N N 9 124.896 124.896 121.552 3.344 19231 4081 1 8 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.283 -0.093 19231 4082 1 8 . 1 1 9 9 VAL C C 9 176.141 176.141 175.875 0.266 19231 4083 1 8 . 1 1 9 9 VAL CA C 9 61.298 61.298 62.026 -0.728 19231 4084 1 8 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.821 0.943 19231 4085 1 8 . 1 1 9 9 VAL H H 9 8.874 8.874 8.914 -0.040 19231 4086 1 8 . 1 1 10 10 GLY N N 10 117.992 117.992 117.907 0.085 19231 4087 1 8 . 1 1 10 10 GLY C C 10 174.785 174.785 174.694 0.091 19231 4088 1 8 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.836 0.494 19231 4089 1 8 . 1 1 10 10 GLY H H 10 9.114 9.114 8.576 0.538 19231 4090 1 8 . 1 1 11 11 ASN N N 11 124.908 124.908 122.099 2.809 19231 4091 1 8 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.789 -0.101 19231 4092 1 8 . 1 1 11 11 ASN C C 11 174.765 174.765 174.612 0.153 19231 4093 1 8 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.652 0.226 19231 4094 1 8 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.405 -2.128 19231 4095 1 8 . 1 1 11 11 ASN H H 11 8.609 8.609 8.382 0.227 19231 4096 1 8 . 1 1 12 12 LEU N N 12 123.550 123.550 123.648 -0.098 19231 4097 1 8 . 1 1 12 12 LEU HA H 12 5.415 5.415 4.904 0.511 19231 4098 1 8 . 1 1 12 12 LEU C C 12 175.653 175.653 175.923 -0.270 19231 4099 1 8 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.755 -0.818 19231 4100 1 8 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.202 2.236 19231 4101 1 8 . 1 1 12 12 LEU H H 12 8.256 8.256 7.627 0.629 19231 4102 1 8 . 1 1 13 13 ARG N N 13 124.719 124.719 123.729 0.990 19231 4103 1 8 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.696 0.531 19231 4104 1 8 . 1 1 13 13 ARG C C 13 173.394 173.394 174.365 -0.971 19231 4105 1 8 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.122 -0.105 19231 4106 1 8 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.966 1.541 19231 4107 1 8 . 1 1 13 13 ARG H H 13 9.169 9.169 8.302 0.867 19231 4108 1 8 . 1 1 14 14 LEU N N 14 127.743 127.743 125.677 2.066 19231 4109 1 8 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.955 0.361 19231 4110 1 8 . 1 1 14 14 LEU C C 14 174.807 174.807 174.566 0.241 19231 4111 1 8 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.642 0.174 19231 4112 1 8 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.785 0.021 19231 4113 1 8 . 1 1 14 14 LEU H H 14 9.394 9.394 9.336 0.058 19231 4114 1 8 . 1 1 15 15 ASN N N 15 125.577 125.577 126.366 -0.789 19231 4115 1 8 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.217 0.190 19231 4116 1 8 . 1 1 15 15 ASN C C 15 175.621 175.621 175.036 0.585 19231 4117 1 8 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.857 -0.813 19231 4118 1 8 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.384 -0.317 19231 4119 1 8 . 1 1 15 15 ASN H H 15 9.520 9.520 9.025 0.495 19231 4120 1 8 . 1 1 16 16 VAL N N 16 123.478 123.478 124.787 -1.309 19231 4121 1 8 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.033 0.047 19231 4122 1 8 . 1 1 16 16 VAL C C 16 177.902 177.902 177.507 0.395 19231 4123 1 8 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.185 -0.771 19231 4124 1 8 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.863 0.341 19231 4125 1 8 . 1 1 16 16 VAL H H 16 8.759 8.759 8.611 0.148 19231 4126 1 8 . 1 1 17 17 THR N N 17 117.004 117.004 114.925 2.079 19231 4127 1 8 . 1 1 17 17 THR HA H 17 4.340 4.340 4.258 0.082 19231 4128 1 8 . 1 1 17 17 THR C C 17 176.177 176.177 175.997 0.180 19231 4129 1 8 . 1 1 17 17 THR CA C 17 65.922 65.922 65.040 0.882 19231 4130 1 8 . 1 1 17 17 THR CB C 17 68.899 68.899 68.922 -0.023 19231 4131 1 8 . 1 1 17 17 THR H H 17 8.045 8.045 7.531 0.514 19231 4132 1 8 . 1 1 18 18 ARG N N 18 117.565 117.565 118.714 -1.149 19231 4133 1 8 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.420 -0.222 19231 4134 1 8 . 1 1 18 18 ARG C C 18 174.802 174.802 175.672 -0.870 19231 4135 1 8 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.960 -0.355 19231 4136 1 8 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.907 0.319 19231 4137 1 8 . 1 1 18 18 ARG H H 18 8.035 8.035 8.279 -0.244 19231 4138 1 8 . 1 1 19 19 ARG N N 19 117.471 117.471 118.673 -1.202 19231 4139 1 8 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.527 0.387 19231 4140 1 8 . 1 1 19 19 ARG C C 19 174.359 174.359 174.060 0.299 19231 4141 1 8 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.684 -0.197 19231 4142 1 8 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.095 -0.847 19231 4143 1 8 . 1 1 19 19 ARG H H 19 7.877 7.877 8.012 -0.135 19231 4144 1 8 . 1 1 20 20 LEU N N 20 118.701 118.701 118.821 -0.120 19231 4145 1 8 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.586 -0.056 19231 4146 1 8 . 1 1 20 20 LEU C C 20 174.619 174.619 174.276 0.343 19231 4147 1 8 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.449 -0.595 19231 4148 1 8 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.710 0.537 19231 4149 1 8 . 1 1 20 20 LEU H H 20 7.565 7.565 8.076 -0.511 19231 4150 1 8 . 1 1 21 21 VAL N N 21 120.636 120.636 117.960 2.676 19231 4151 1 8 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.076 0.121 19231 4152 1 8 . 1 1 21 21 VAL C C 21 174.036 174.036 174.882 -0.846 19231 4153 1 8 . 1 1 21 21 VAL CA C 21 59.871 59.871 61.149 -1.278 19231 4154 1 8 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.699 -0.251 19231 4155 1 8 . 1 1 21 21 VAL H H 21 8.466 8.466 8.213 0.253 19231 4156 1 8 . 1 1 22 22 TRP N N 22 126.709 126.709 126.462 0.247 19231 4157 1 8 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.390 -0.260 19231 4158 1 8 . 1 1 22 22 TRP C C 22 174.877 174.877 174.906 -0.029 19231 4159 1 8 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.018 1.049 19231 4160 1 8 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.270 -0.133 19231 4161 1 8 . 1 1 22 22 TRP H H 22 9.596 9.596 9.017 0.579 19231 4162 1 8 . 1 1 23 23 LEU N N 23 123.443 123.443 123.583 -0.140 19231 4163 1 8 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.705 0.329 19231 4164 1 8 . 1 1 23 23 LEU C C 23 177.552 177.552 176.022 1.530 19231 4165 1 8 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.723 -0.296 19231 4166 1 8 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.311 0.611 19231 4167 1 8 . 1 1 23 23 LEU H H 23 8.834 8.834 9.203 -0.369 19231 4168 1 8 . 1 1 24 24 GLY N N 24 117.546 117.546 116.456 1.090 19231 4169 1 8 . 1 1 24 24 GLY C C 24 174.915 174.915 175.072 -0.157 19231 4170 1 8 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.425 1.794 19231 4171 1 8 . 1 1 24 24 GLY H H 24 9.401 9.401 8.412 0.989 19231 4172 1 8 . 1 1 25 25 GLU N N 25 124.565 124.565 112.315 12.250 19231 4173 1 8 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.807 0.521 19231 4174 1 8 . 1 1 25 25 GLU C C 25 176.350 176.350 175.487 0.863 19231 4175 1 8 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.221 -1.821 19231 4176 1 8 . 1 1 25 25 GLU CB C 25 29.811 29.811 28.609 1.202 19231 4177 1 8 . 1 1 25 25 GLU H H 25 9.051 9.051 8.550 0.501 19231 4178 1 8 . 1 1 26 26 THR N N 26 117.538 117.538 111.081 6.457 19231 4179 1 8 . 1 1 26 26 THR HA H 26 4.305 4.305 4.643 -0.338 19231 4180 1 8 . 1 1 26 26 THR C C 26 173.226 173.226 173.673 -0.447 19231 4181 1 8 . 1 1 26 26 THR CA C 26 62.118 62.118 60.559 1.559 19231 4182 1 8 . 1 1 26 26 THR CB C 26 70.399 70.399 70.758 -0.359 19231 4183 1 8 . 1 1 26 26 THR H H 26 8.140 8.140 7.299 0.841 19231 4184 1 8 . 1 1 27 27 ALA N N 27 131.183 131.183 128.019 3.164 19231 4185 1 8 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.732 0.358 19231 4186 1 8 . 1 1 27 27 ALA C C 27 177.483 177.483 176.846 0.637 19231 4187 1 8 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.173 0.261 19231 4188 1 8 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.698 -0.783 19231 4189 1 8 . 1 1 27 27 ALA H H 27 8.937 8.937 8.641 0.296 19231 4190 1 8 . 1 1 28 28 LEU N N 28 124.160 124.160 125.605 -1.445 19231 4191 1 8 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.322 0.014 19231 4192 1 8 . 1 1 28 28 LEU C C 28 176.114 176.114 176.044 0.070 19231 4193 1 8 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.962 -1.356 19231 4194 1 8 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.577 -0.255 19231 4195 1 8 . 1 1 28 28 LEU H H 28 8.663 8.663 7.841 0.822 19231 4196 1 8 . 1 1 29 29 ASP N N 29 124.715 124.715 126.638 -1.923 19231 4197 1 8 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.848 -0.138 19231 4198 1 8 . 1 1 29 29 ASP C C 29 174.721 174.721 175.310 -0.589 19231 4199 1 8 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.733 -0.409 19231 4200 1 8 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.857 -0.521 19231 4201 1 8 . 1 1 29 29 ASP H H 29 8.690 8.690 8.466 0.224 19231 4202 1 8 . 1 1 30 30 LEU N N 30 123.472 123.472 120.981 2.491 19231 4203 1 8 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.824 0.007 19231 4204 1 8 . 1 1 30 30 LEU C C 30 177.944 177.944 176.385 1.559 19231 4205 1 8 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.694 -0.757 19231 4206 1 8 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.930 -0.950 19231 4207 1 8 . 1 1 30 30 LEU H H 30 7.969 7.969 8.033 -0.064 19231 4208 1 8 . 1 1 31 31 THR N N 31 115.969 115.969 111.521 4.448 19231 4209 1 8 . 1 1 31 31 THR HA H 31 4.700 4.700 4.473 0.227 19231 4210 1 8 . 1 1 31 31 THR C C 31 173.645 173.645 175.067 -1.422 19231 4211 1 8 . 1 1 31 31 THR CA C 31 60.704 60.704 60.013 0.691 19231 4212 1 8 . 1 1 31 31 THR CB C 31 67.869 67.869 68.642 -0.773 19231 4213 1 8 . 1 1 31 31 THR H H 31 8.864 8.864 8.375 0.489 19231 4214 1 8 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.281 -0.001 19231 4215 1 8 . 1 1 32 32 PRO C C 32 178.657 178.657 178.749 -0.092 19231 4216 1 8 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.536 0.968 19231 4217 1 8 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.994 -0.015 19231 4218 1 8 . 1 1 33 33 LYS N N 33 116.417 116.417 117.459 -1.042 19231 4219 1 8 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.045 -0.121 19231 4220 1 8 . 1 1 33 33 LYS C C 33 178.084 178.084 178.872 -0.788 19231 4221 1 8 . 1 1 33 33 LYS CA C 33 59.665 59.665 60.021 -0.356 19231 4222 1 8 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.973 0.599 19231 4223 1 8 . 1 1 33 33 LYS H H 33 8.044 8.044 8.346 -0.302 19231 4224 1 8 . 1 1 34 34 GLU N N 34 118.272 118.272 119.248 -0.976 19231 4225 1 8 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.990 -0.370 19231 4226 1 8 . 1 1 34 34 GLU C C 34 178.512 178.512 178.449 0.063 19231 4227 1 8 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.796 0.748 19231 4228 1 8 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.139 1.382 19231 4229 1 8 . 1 1 34 34 GLU H H 34 7.376 7.376 7.828 -0.452 19231 4230 1 8 . 1 1 35 35 TYR N N 35 118.351 118.351 119.949 -1.598 19231 4231 1 8 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.077 -0.380 19231 4232 1 8 . 1 1 35 35 TYR C C 35 177.597 177.597 177.231 0.366 19231 4233 1 8 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.524 0.777 19231 4234 1 8 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.135 -0.201 19231 4235 1 8 . 1 1 35 35 TYR H H 35 8.950 8.950 7.741 1.209 19231 4236 1 8 . 1 1 36 36 ALA N N 36 123.913 123.913 122.123 1.790 19231 4237 1 8 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.128 -0.385 19231 4238 1 8 . 1 1 36 36 ALA C C 36 180.061 180.061 179.264 0.797 19231 4239 1 8 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.003 0.410 19231 4240 1 8 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.178 -0.116 19231 4241 1 8 . 1 1 36 36 ALA H H 36 8.147 8.147 7.756 0.391 19231 4242 1 8 . 1 1 37 37 LEU N N 37 116.924 116.924 120.318 -3.394 19231 4243 1 8 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.179 -0.269 19231 4244 1 8 . 1 1 37 37 LEU C C 37 177.760 177.760 179.321 -1.561 19231 4245 1 8 . 1 1 37 37 LEU CA C 37 57.336 57.336 58.223 -0.887 19231 4246 1 8 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.516 1.527 19231 4247 1 8 . 1 1 37 37 LEU H H 37 7.651 7.651 7.564 0.087 19231 4248 1 8 . 1 1 38 38 LEU N N 38 118.232 118.232 119.310 -1.078 19231 4249 1 8 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.789 0.081 19231 4250 1 8 . 1 1 38 38 LEU C C 38 178.524 178.524 178.373 0.151 19231 4251 1 8 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.074 -0.677 19231 4252 1 8 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.453 -0.324 19231 4253 1 8 . 1 1 38 38 LEU H H 38 8.550 8.550 8.794 -0.244 19231 4254 1 8 . 1 1 39 39 SER N N 39 113.045 113.045 114.594 -1.549 19231 4255 1 8 . 1 1 39 39 SER HA H 39 3.700 3.700 3.909 -0.209 19231 4256 1 8 . 1 1 39 39 SER C C 39 175.854 175.854 176.997 -1.143 19231 4257 1 8 . 1 1 39 39 SER CA C 39 62.126 62.126 61.982 0.144 19231 4258 1 8 . 1 1 39 39 SER CB C 39 68.227 68.227 62.803 5.424 19231 4259 1 8 . 1 1 39 39 SER H H 39 8.540 8.540 8.102 0.438 19231 4260 1 8 . 1 1 40 40 ARG N N 40 121.521 121.521 120.816 0.705 19231 4261 1 8 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.187 -0.177 19231 4262 1 8 . 1 1 40 40 ARG C C 40 178.731 178.731 178.533 0.198 19231 4263 1 8 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.687 -0.376 19231 4264 1 8 . 1 1 40 40 ARG CB C 40 28.525 28.525 30.244 -1.719 19231 4265 1 8 . 1 1 40 40 ARG H H 40 7.112 7.112 7.393 -0.281 19231 4266 1 8 . 1 1 41 41 LEU N N 41 115.939 115.939 121.055 -5.116 19231 4267 1 8 . 1 1 41 41 LEU HA H 41 3.992 3.992 4.033 -0.041 19231 4268 1 8 . 1 1 41 41 LEU C C 41 180.049 180.049 178.080 1.969 19231 4269 1 8 . 1 1 41 41 LEU CA C 41 57.836 57.836 57.700 0.136 19231 4270 1 8 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.950 0.066 19231 4271 1 8 . 1 1 41 41 LEU H H 41 7.960 7.960 7.627 0.333 19231 4272 1 8 . 1 1 42 42 MET N N 42 116.335 116.335 117.534 -1.199 19231 4273 1 8 . 1 1 42 42 MET HA H 42 3.877 3.877 4.134 -0.257 19231 4274 1 8 . 1 1 42 42 MET C C 42 178.748 178.748 178.494 0.254 19231 4275 1 8 . 1 1 42 42 MET CA C 42 59.530 59.530 57.154 2.376 19231 4276 1 8 . 1 1 42 42 MET CB C 42 33.449 33.449 32.507 0.942 19231 4277 1 8 . 1 1 42 42 MET H H 42 8.825 8.825 8.319 0.506 19231 4278 1 8 . 1 1 43 43 MET N N 43 119.000 119.000 119.583 -0.583 19231 4279 1 8 . 1 1 43 43 MET HA H 43 4.137 4.137 4.159 -0.022 19231 4280 1 8 . 1 1 43 43 MET C C 43 176.813 176.813 176.898 -0.085 19231 4281 1 8 . 1 1 43 43 MET CA C 43 58.405 58.405 58.138 0.267 19231 4282 1 8 . 1 1 43 43 MET CB C 43 32.382 32.382 32.745 -0.363 19231 4283 1 8 . 1 1 43 43 MET H H 43 8.250 8.250 7.399 0.851 19231 4284 1 8 . 1 1 44 44 LYS N N 44 117.715 117.715 117.008 0.707 19231 4285 1 8 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.567 0.064 19231 4286 1 8 . 1 1 44 44 LYS C C 44 175.226 175.226 175.072 0.154 19231 4287 1 8 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.741 -1.915 19231 4288 1 8 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.388 -0.917 19231 4289 1 8 . 1 1 44 44 LYS H H 44 7.088 7.088 7.383 -0.295 19231 4290 1 8 . 1 1 45 45 ALA N N 45 122.613 122.613 122.167 0.446 19231 4291 1 8 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.326 -0.007 19231 4292 1 8 . 1 1 45 45 ALA C C 45 178.994 178.994 178.498 0.496 19231 4293 1 8 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.727 0.947 19231 4294 1 8 . 1 1 45 45 ALA CB C 45 19.397 19.397 19.015 0.382 19231 4295 1 8 . 1 1 45 45 ALA H H 45 6.952 6.952 8.016 -1.064 19231 4296 1 8 . 1 1 46 46 GLY N N 46 109.561 109.561 111.326 -1.765 19231 4297 1 8 . 1 1 46 46 GLY C C 46 173.547 173.547 174.302 -0.755 19231 4298 1 8 . 1 1 46 46 GLY CA C 46 45.466 45.466 44.926 0.540 19231 4299 1 8 . 1 1 46 46 GLY H H 46 8.944 8.944 8.935 0.009 19231 4300 1 8 . 1 1 47 47 SER N N 47 116.886 116.886 117.181 -0.295 19231 4301 1 8 . 1 1 47 47 SER HA H 47 5.130 5.130 4.948 0.182 19231 4302 1 8 . 1 1 47 47 SER C C 47 170.481 170.481 172.113 -1.632 19231 4303 1 8 . 1 1 47 47 SER CA C 47 55.988 55.988 55.438 0.550 19231 4304 1 8 . 1 1 47 47 SER CB C 47 65.098 65.098 65.168 -0.070 19231 4305 1 8 . 1 1 47 47 SER H H 47 8.759 8.759 7.629 1.130 19231 4306 1 8 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.972 -0.554 19231 4307 1 8 . 1 1 48 48 PRO C C 48 175.854 175.854 176.365 -0.511 19231 4308 1 8 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.557 -0.111 19231 4309 1 8 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.096 0.812 19231 4310 1 8 . 1 1 49 49 VAL N N 49 124.173 124.173 125.254 -1.081 19231 4311 1 8 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.352 0.059 19231 4312 1 8 . 1 1 49 49 VAL C C 49 175.186 175.186 175.490 -0.304 19231 4313 1 8 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.630 0.829 19231 4314 1 8 . 1 1 49 49 VAL CB C 49 33.496 33.496 34.303 -0.807 19231 4315 1 8 . 1 1 49 49 VAL H H 49 9.235 9.235 8.705 0.530 19231 4316 1 8 . 1 1 50 50 HIS N N 50 128.035 128.035 126.016 2.019 19231 4317 1 8 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.682 -1.112 19231 4318 1 8 . 1 1 50 50 HIS C C 50 177.130 177.130 176.429 0.701 19231 4319 1 8 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.994 2.459 19231 4320 1 8 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.209 1.333 19231 4321 1 8 . 1 1 50 50 HIS H H 50 8.791 8.791 8.787 0.004 19231 4322 1 8 . 1 1 51 51 ARG N N 51 125.631 125.631 126.021 -0.390 19231 4323 1 8 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.960 -0.080 19231 4324 1 8 . 1 1 51 51 ARG C C 51 176.786 176.786 177.826 -1.040 19231 4325 1 8 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.196 0.883 19231 4326 1 8 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.947 0.203 19231 4327 1 8 . 1 1 51 51 ARG H H 51 8.544 8.544 8.619 -0.075 19231 4328 1 8 . 1 1 52 52 GLU N N 52 120.964 120.964 120.889 0.075 19231 4329 1 8 . 1 1 52 52 GLU HA H 52 4.080 4.080 4.250 -0.170 19231 4330 1 8 . 1 1 52 52 GLU C C 52 179.334 179.334 178.722 0.612 19231 4331 1 8 . 1 1 52 52 GLU CA C 52 59.769 59.769 59.278 0.491 19231 4332 1 8 . 1 1 52 52 GLU CB C 52 29.228 29.228 29.396 -0.168 19231 4333 1 8 . 1 1 52 52 GLU H H 52 10.831 10.831 8.514 2.317 19231 4334 1 8 . 1 1 53 53 ILE N N 53 119.337 119.337 118.983 0.354 19231 4335 1 8 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.727 0.144 19231 4336 1 8 . 1 1 53 53 ILE C C 53 178.080 178.080 178.010 0.070 19231 4337 1 8 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.149 -1.039 19231 4338 1 8 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.669 -0.173 19231 4339 1 8 . 1 1 53 53 ILE H H 53 7.239 7.239 7.518 -0.279 19231 4340 1 8 . 1 1 54 54 LEU N N 54 118.502 118.502 119.858 -1.356 19231 4341 1 8 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.148 0.012 19231 4342 1 8 . 1 1 54 54 LEU C C 54 178.676 178.676 179.701 -1.025 19231 4343 1 8 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.470 -0.396 19231 4344 1 8 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.483 -0.160 19231 4345 1 8 . 1 1 54 54 LEU H H 54 7.198 7.198 7.232 -0.034 19231 4346 1 8 . 1 1 55 55 TYR N N 55 117.114 117.114 119.067 -1.953 19231 4347 1 8 . 1 1 55 55 TYR HA H 55 4.135 4.135 3.799 0.336 19231 4348 1 8 . 1 1 55 55 TYR C C 55 177.987 177.987 177.710 0.277 19231 4349 1 8 . 1 1 55 55 TYR CA C 55 61.137 61.137 62.078 -0.941 19231 4350 1 8 . 1 1 55 55 TYR CB C 55 38.107 38.107 37.348 0.759 19231 4351 1 8 . 1 1 55 55 TYR H H 55 8.872 8.872 7.769 1.103 19231 4352 1 8 . 1 1 56 56 ASN N N 56 116.720 116.720 116.124 0.596 19231 4353 1 8 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.596 -0.111 19231 4354 1 8 . 1 1 56 56 ASN C C 56 177.439 177.439 176.049 1.390 19231 4355 1 8 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.552 0.461 19231 4356 1 8 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.159 0.131 19231 4357 1 8 . 1 1 56 56 ASN H H 56 7.796 7.796 7.555 0.241 19231 4358 1 8 . 1 1 57 57 ASP N N 57 118.532 118.532 120.243 -1.711 19231 4359 1 8 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.363 0.177 19231 4360 1 8 . 1 1 57 57 ASP C C 57 177.886 177.886 177.331 0.555 19231 4361 1 8 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.617 0.469 19231 4362 1 8 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.626 0.254 19231 4363 1 8 . 1 1 57 57 ASP H H 57 7.842 7.842 8.340 -0.498 19231 4364 1 8 . 1 1 58 58 ILE N N 58 109.975 109.975 116.274 -6.299 19231 4365 1 8 . 1 1 58 58 ILE HA H 58 4.300 4.300 4.256 0.044 19231 4366 1 8 . 1 1 58 58 ILE C C 58 175.916 175.916 176.078 -0.162 19231 4367 1 8 . 1 1 58 58 ILE CA C 58 61.340 61.340 61.761 -0.421 19231 4368 1 8 . 1 1 58 58 ILE CB C 58 38.830 38.830 39.371 -0.541 19231 4369 1 8 . 1 1 58 58 ILE H H 58 7.277 7.277 7.594 -0.317 19231 4370 1 8 . 1 1 59 59 TYR N N 59 122.761 122.761 112.700 10.061 19231 4371 1 8 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.711 -0.415 19231 4372 1 8 . 1 1 59 59 TYR C C 59 176.037 176.037 173.327 2.710 19231 4373 1 8 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.275 1.895 19231 4374 1 8 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.028 -0.751 19231 4375 1 8 . 1 1 59 59 TYR H H 59 7.788 7.788 7.516 0.272 19231 4376 1 8 . 1 1 60 60 SER N N 60 117.350 117.350 114.040 3.310 19231 4377 1 8 . 1 1 60 60 SER HA H 60 4.292 4.292 4.561 -0.269 19231 4378 1 8 . 1 1 60 60 SER C C 60 174.206 174.206 173.943 0.263 19231 4379 1 8 . 1 1 60 60 SER CA C 60 57.976 57.976 58.820 -0.844 19231 4380 1 8 . 1 1 60 60 SER CB C 60 63.884 63.884 64.142 -0.259 19231 4381 1 8 . 1 1 60 60 SER H H 60 7.721 7.721 8.509 -0.788 19231 4382 1 8 . 1 1 61 61 TRP N N 61 122.170 122.170 119.476 2.694 19231 4383 1 8 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.920 -0.443 19231 4384 1 8 . 1 1 61 61 TRP C C 61 175.798 175.798 175.684 0.114 19231 4385 1 8 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.439 0.424 19231 4386 1 8 . 1 1 61 61 TRP CB C 61 28.826 28.826 29.018 -0.192 19231 4387 1 8 . 1 1 61 61 TRP H H 61 7.990 7.990 8.090 -0.100 19231 4388 1 8 . 1 1 62 62 ASP N N 62 119.118 119.118 121.286 -2.168 19231 4389 1 8 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.003 0.437 19231 4390 1 8 . 1 1 62 62 ASP C C 62 175.559 175.559 176.174 -0.615 19231 4391 1 8 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.533 -1.722 19231 4392 1 8 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.207 0.509 19231 4393 1 8 . 1 1 62 62 ASP H H 62 7.900 7.900 7.696 0.204 19231 4394 1 8 . 1 1 63 63 ASN N N 63 117.586 117.586 116.194 1.392 19231 4395 1 8 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.717 -0.171 19231 4396 1 8 . 1 1 63 63 ASN C C 63 174.737 174.737 174.586 0.151 19231 4397 1 8 . 1 1 63 63 ASN CA C 63 53.158 53.158 52.874 0.284 19231 4398 1 8 . 1 1 63 63 ASN CB C 63 38.743 38.743 39.577 -0.834 19231 4399 1 8 . 1 1 63 63 ASN H H 63 8.080 8.080 7.892 0.188 19231 4400 1 8 . 1 1 64 64 GLU N N 64 121.831 121.831 122.594 -0.763 19231 4401 1 8 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.254 0.326 19231 4402 1 8 . 1 1 64 64 GLU C C 64 174.706 174.706 176.089 -1.383 19231 4403 1 8 . 1 1 64 64 GLU CA C 64 54.760 54.760 58.792 -4.032 19231 4404 1 8 . 1 1 64 64 GLU CB C 64 29.829 29.829 28.798 1.031 19231 4405 1 8 . 1 1 64 64 GLU H H 64 8.224 8.224 9.003 -0.779 19231 4406 1 8 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.569 -0.175 19231 4407 1 8 . 1 1 65 65 PRO C C 65 177.312 177.312 175.521 1.791 19231 4408 1 8 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.143 1.681 19231 4409 1 8 . 1 1 65 65 PRO CB C 65 31.871 31.871 30.154 1.717 19231 4410 1 8 . 1 1 66 66 ALA N N 66 122.755 122.755 121.817 0.938 19231 4411 1 8 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.220 0.130 19231 4412 1 8 . 1 1 66 66 ALA C C 66 178.352 178.352 177.021 1.331 19231 4413 1 8 . 1 1 66 66 ALA CA C 66 52.848 52.848 52.475 0.373 19231 4414 1 8 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.800 0.286 19231 4415 1 8 . 1 1 66 66 ALA H H 66 8.465 8.465 7.617 0.848 19231 4416 1 8 . 1 1 67 67 THR N N 67 111.079 111.079 112.580 -1.501 19231 4417 1 8 . 1 1 67 67 THR HA H 67 4.287 4.287 3.872 0.415 19231 4418 1 8 . 1 1 67 67 THR C C 67 175.040 175.040 174.423 0.617 19231 4419 1 8 . 1 1 67 67 THR CA C 67 62.505 62.505 63.206 -0.702 19231 4420 1 8 . 1 1 67 67 THR CB C 67 69.187 69.187 67.860 1.327 19231 4421 1 8 . 1 1 67 67 THR H H 67 8.002 8.002 7.721 0.281 19231 4422 1 8 . 1 1 68 68 ASN N N 68 120.768 120.768 124.211 -3.443 19231 4423 1 8 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.559 0.420 19231 4424 1 8 . 1 1 68 68 ASN C C 68 175.250 175.250 174.693 0.557 19231 4425 1 8 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.271 -1.235 19231 4426 1 8 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.221 0.457 19231 4427 1 8 . 1 1 68 68 ASN H H 68 8.280 8.280 8.512 -0.232 19231 4428 1 8 . 1 1 69 69 THR N N 69 112.288 112.288 119.886 -7.598 19231 4429 1 8 . 1 1 69 69 THR HA H 69 4.480 4.480 4.402 0.078 19231 4430 1 8 . 1 1 69 69 THR C C 69 175.830 175.830 175.223 0.607 19231 4431 1 8 . 1 1 69 69 THR CA C 69 62.328 62.328 63.309 -0.982 19231 4432 1 8 . 1 1 69 69 THR CB C 69 69.927 69.927 69.615 0.312 19231 4433 1 8 . 1 1 69 69 THR H H 69 7.691 7.691 8.180 -0.489 19231 4434 1 8 . 1 1 70 70 LEU N N 70 123.384 123.384 123.237 0.147 19231 4435 1 8 . 1 1 70 70 LEU HA H 70 4.080 4.080 3.744 0.336 19231 4436 1 8 . 1 1 70 70 LEU C C 70 177.457 177.457 178.194 -0.737 19231 4437 1 8 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.977 -0.369 19231 4438 1 8 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.560 -0.067 19231 4439 1 8 . 1 1 70 70 LEU H H 70 8.843 8.843 8.361 0.482 19231 4440 1 8 . 1 1 71 71 GLU N N 71 116.878 116.878 118.797 -1.919 19231 4441 1 8 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.141 -0.436 19231 4442 1 8 . 1 1 71 71 GLU C C 71 179.305 179.305 178.873 0.432 19231 4443 1 8 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.450 1.722 19231 4444 1 8 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.560 -0.732 19231 4445 1 8 . 1 1 71 71 GLU H H 71 8.652 8.652 8.522 0.130 19231 4446 1 8 . 1 1 72 72 VAL N N 72 121.419 121.419 118.959 2.460 19231 4447 1 8 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.820 -0.135 19231 4448 1 8 . 1 1 72 72 VAL C C 72 177.680 177.680 178.500 -0.820 19231 4449 1 8 . 1 1 72 72 VAL CA C 72 66.111 66.111 65.755 0.356 19231 4450 1 8 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.240 0.227 19231 4451 1 8 . 1 1 72 72 VAL H H 72 7.559 7.559 7.366 0.193 19231 4452 1 8 . 1 1 73 73 HIS N N 73 118.272 118.272 119.651 -1.379 19231 4453 1 8 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.308 0.152 19231 4454 1 8 . 1 1 73 73 HIS C C 73 178.616 178.616 178.266 0.350 19231 4455 1 8 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.680 0.526 19231 4456 1 8 . 1 1 73 73 HIS CB C 73 31.269 31.269 28.999 2.270 19231 4457 1 8 . 1 1 73 73 HIS H H 73 7.420 7.420 8.433 -1.013 19231 4458 1 8 . 1 1 74 74 ILE N N 74 118.940 118.940 119.743 -0.803 19231 4459 1 8 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.785 -0.215 19231 4460 1 8 . 1 1 74 74 ILE C C 74 177.819 177.819 177.935 -0.116 19231 4461 1 8 . 1 1 74 74 ILE CA C 74 61.943 61.943 63.345 -1.402 19231 4462 1 8 . 1 1 74 74 ILE CB C 74 34.275 34.275 36.627 -2.352 19231 4463 1 8 . 1 1 74 74 ILE H H 74 8.515 8.515 7.860 0.655 19231 4464 1 8 . 1 1 75 75 HIS N N 75 120.484 120.484 120.375 0.109 19231 4465 1 8 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.194 0.076 19231 4466 1 8 . 1 1 75 75 HIS C C 75 177.445 177.445 177.850 -0.405 19231 4467 1 8 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.653 -0.537 19231 4468 1 8 . 1 1 75 75 HIS CB C 75 28.812 28.812 30.092 -1.280 19231 4469 1 8 . 1 1 75 75 HIS H H 75 8.189 8.189 8.098 0.091 19231 4470 1 8 . 1 1 76 76 ASN N N 76 119.098 119.098 117.789 1.309 19231 4471 1 8 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.522 -0.133 19231 4472 1 8 . 1 1 76 76 ASN C C 76 178.615 178.615 177.924 0.691 19231 4473 1 8 . 1 1 76 76 ASN CA C 76 55.505 55.505 56.478 -0.973 19231 4474 1 8 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.953 -1.644 19231 4475 1 8 . 1 1 76 76 ASN H H 76 8.456 8.456 8.552 -0.096 19231 4476 1 8 . 1 1 77 77 LEU N N 77 120.517 120.517 120.773 -0.256 19231 4477 1 8 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.041 -0.090 19231 4478 1 8 . 1 1 77 77 LEU C C 77 178.945 178.945 178.257 0.688 19231 4479 1 8 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.721 0.275 19231 4480 1 8 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.850 1.256 19231 4481 1 8 . 1 1 77 77 LEU H H 77 8.579 8.579 8.453 0.126 19231 4482 1 8 . 1 1 78 78 ARG N N 78 119.521 119.521 120.189 -0.668 19231 4483 1 8 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.752 -0.092 19231 4484 1 8 . 1 1 78 78 ARG C C 78 178.766 178.766 178.046 0.720 19231 4485 1 8 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.992 -0.557 19231 4486 1 8 . 1 1 78 78 ARG CB C 78 30.834 30.834 29.873 0.961 19231 4487 1 8 . 1 1 78 78 ARG H H 78 8.687 8.687 8.702 -0.015 19231 4488 1 8 . 1 1 79 79 GLU N N 79 116.882 116.882 117.880 -0.998 19231 4489 1 8 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.035 -0.106 19231 4490 1 8 . 1 1 79 79 GLU C C 79 178.226 178.226 178.464 -0.238 19231 4491 1 8 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.808 -0.142 19231 4492 1 8 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.257 0.294 19231 4493 1 8 . 1 1 79 79 GLU H H 79 7.717 7.717 7.735 -0.018 19231 4494 1 8 . 1 1 80 80 LYS N N 80 116.574 116.574 117.157 -0.583 19231 4495 1 8 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.115 0.137 19231 4496 1 8 . 1 1 80 80 LYS C C 80 178.413 178.413 178.190 0.223 19231 4497 1 8 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.854 0.207 19231 4498 1 8 . 1 1 80 80 LYS CB C 80 34.438 34.438 33.218 1.220 19231 4499 1 8 . 1 1 80 80 LYS H H 80 7.419 7.419 7.795 -0.376 19231 4500 1 8 . 1 1 81 81 ILE N N 81 108.393 108.393 111.455 -3.062 19231 4501 1 8 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.131 0.553 19231 4502 1 8 . 1 1 81 81 ILE C C 81 174.986 174.986 176.424 -1.438 19231 4503 1 8 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.605 -0.459 19231 4504 1 8 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.990 0.222 19231 4505 1 8 . 1 1 81 81 ILE H H 81 8.162 8.162 7.638 0.524 19231 4506 1 8 . 1 1 82 82 GLY N N 82 113.636 113.636 109.407 4.229 19231 4507 1 8 . 1 1 82 82 GLY C C 82 175.419 175.419 174.953 0.466 19231 4508 1 8 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.727 0.128 19231 4509 1 8 . 1 1 82 82 GLY H H 82 7.852 7.852 8.168 -0.316 19231 4510 1 8 . 1 1 83 83 LYS N N 83 125.732 125.732 122.719 3.013 19231 4511 1 8 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.881 -0.151 19231 4512 1 8 . 1 1 83 83 LYS C C 83 178.177 178.177 178.122 0.055 19231 4513 1 8 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.641 1.281 19231 4514 1 8 . 1 1 83 83 LYS CB C 83 32.366 32.366 32.108 0.258 19231 4515 1 8 . 1 1 83 83 LYS H H 83 8.511 8.511 8.509 0.002 19231 4516 1 8 . 1 1 84 84 SER N N 84 110.852 110.852 117.135 -6.283 19231 4517 1 8 . 1 1 84 84 SER HA H 84 4.346 4.346 4.190 0.156 19231 4518 1 8 . 1 1 84 84 SER C C 84 175.008 175.008 175.924 -0.916 19231 4519 1 8 . 1 1 84 84 SER CA C 84 58.935 58.935 60.784 -1.849 19231 4520 1 8 . 1 1 84 84 SER CB C 84 63.140 63.140 62.866 0.274 19231 4521 1 8 . 1 1 84 84 SER H H 84 8.438 8.438 8.029 0.409 19231 4522 1 8 . 1 1 85 85 ARG N N 85 118.561 118.561 118.874 -0.313 19231 4523 1 8 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.147 0.083 19231 4524 1 8 . 1 1 85 85 ARG C C 85 176.208 176.208 175.665 0.543 19231 4525 1 8 . 1 1 85 85 ARG CA C 85 57.156 57.156 57.788 -0.632 19231 4526 1 8 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.720 -0.332 19231 4527 1 8 . 1 1 85 85 ARG H H 85 7.656 7.656 7.766 -0.110 19231 4528 1 8 . 1 1 86 86 ILE N N 86 113.200 113.200 117.242 -4.042 19231 4529 1 8 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.304 0.591 19231 4530 1 8 . 1 1 86 86 ILE C C 86 175.573 175.573 174.772 0.801 19231 4531 1 8 . 1 1 86 86 ILE CA C 86 59.461 59.461 59.945 -0.484 19231 4532 1 8 . 1 1 86 86 ILE CB C 86 39.188 39.188 40.342 -1.154 19231 4533 1 8 . 1 1 86 86 ILE H H 86 6.880 6.880 7.360 -0.480 19231 4534 1 8 . 1 1 87 87 ARG N N 87 128.727 128.727 126.874 1.853 19231 4535 1 8 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.682 0.115 19231 4536 1 8 . 1 1 87 87 ARG C C 87 176.501 176.501 176.105 0.396 19231 4537 1 8 . 1 1 87 87 ARG CA C 87 53.664 53.664 55.180 -1.516 19231 4538 1 8 . 1 1 87 87 ARG CB C 87 32.011 32.011 31.866 0.145 19231 4539 1 8 . 1 1 87 87 ARG H H 87 9.786 9.786 8.774 1.012 19231 4540 1 8 . 1 1 88 88 THR N N 88 122.821 122.821 115.290 7.531 19231 4541 1 8 . 1 1 88 88 THR HA H 88 4.138 4.138 3.957 0.181 19231 4542 1 8 . 1 1 88 88 THR C C 88 173.802 173.802 174.639 -0.837 19231 4543 1 8 . 1 1 88 88 THR CA C 88 63.514 63.514 61.788 1.726 19231 4544 1 8 . 1 1 88 88 THR CB C 88 68.908 68.908 69.279 -0.371 19231 4545 1 8 . 1 1 88 88 THR H H 88 9.421 9.421 8.532 0.889 19231 4546 1 8 . 1 1 89 89 VAL N N 89 130.400 130.400 129.027 1.373 19231 4547 1 8 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.206 -0.026 19231 4548 1 8 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.233 0.145 19231 4549 1 8 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.219 -0.333 19231 4550 1 8 . 1 1 89 89 VAL H H 89 8.400 8.400 7.767 0.633 19231 4551 1 8 . 1 1 91 91 GLY C C 91 173.530 173.530 173.166 0.364 19231 4552 1 8 . 1 1 91 91 GLY CA C 91 45.525 45.525 44.938 0.587 19231 4553 1 8 . 1 1 92 92 PHE N N 92 119.601 119.601 121.019 -1.418 19231 4554 1 8 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.546 -0.105 19231 4555 1 8 . 1 1 92 92 PHE C C 92 174.744 174.744 173.242 1.502 19231 4556 1 8 . 1 1 92 92 PHE CA C 92 60.054 60.054 57.961 2.093 19231 4557 1 8 . 1 1 92 92 PHE CB C 92 43.433 43.433 41.771 1.662 19231 4558 1 8 . 1 1 92 92 PHE H H 92 8.332 8.332 7.807 0.525 19231 4559 1 8 . 1 1 93 93 GLY N N 93 105.445 105.445 105.306 0.139 19231 4560 1 8 . 1 1 93 93 GLY C C 93 171.776 171.776 171.908 -0.132 19231 4561 1 8 . 1 1 93 93 GLY CA C 93 46.715 46.715 45.724 0.991 19231 4562 1 8 . 1 1 93 93 GLY H H 93 8.377 8.377 7.265 1.112 19231 4563 1 8 . 1 1 94 94 TYR N N 94 122.471 122.471 117.229 5.242 19231 4564 1 8 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.963 0.467 19231 4565 1 8 . 1 1 94 94 TYR C C 94 172.889 172.889 173.802 -0.913 19231 4566 1 8 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.550 -0.181 19231 4567 1 8 . 1 1 94 94 TYR CB C 94 44.052 44.052 44.047 0.005 19231 4568 1 8 . 1 1 94 94 TYR H H 94 8.475 8.475 8.378 0.097 19231 4569 1 8 . 1 1 95 95 MET N N 95 118.643 118.643 117.891 0.752 19231 4570 1 8 . 1 1 95 95 MET HA H 95 4.890 4.890 4.837 0.053 19231 4571 1 8 . 1 1 95 95 MET C C 95 173.438 173.438 173.522 -0.084 19231 4572 1 8 . 1 1 95 95 MET CA C 95 54.125 54.125 54.762 -0.637 19231 4573 1 8 . 1 1 95 95 MET CB C 95 39.364 39.364 37.351 2.013 19231 4574 1 8 . 1 1 95 95 MET H H 95 8.936 8.936 8.804 0.132 19231 4575 1 8 . 1 1 96 96 LEU N N 96 130.194 130.194 124.752 5.442 19231 4576 1 8 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.615 0.465 19231 4577 1 8 . 1 1 96 96 LEU C C 96 174.912 174.912 176.379 -1.467 19231 4578 1 8 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.657 -0.175 19231 4579 1 8 . 1 1 96 96 LEU CB C 96 43.756 43.756 43.246 0.510 19231 4580 1 8 . 1 1 96 96 LEU H H 96 9.848 9.848 8.849 0.999 19231 4581 1 8 . 1 1 97 97 ALA N N 97 131.168 131.168 127.073 4.095 19231 4582 1 8 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.130 0.206 19231 4583 1 8 . 1 1 97 97 ALA C C 97 176.560 176.560 177.954 -1.394 19231 4584 1 8 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.798 -0.903 19231 4585 1 8 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.164 0.847 19231 4586 1 8 . 1 1 97 97 ALA H H 97 8.681 8.681 8.452 0.229 19231 4587 1 8 . 1 1 98 98 ASN N N 98 118.268 118.268 123.913 -5.645 19231 4588 1 8 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.500 0.180 19231 4589 1 8 . 1 1 98 98 ASN C C 98 174.939 174.939 175.125 -0.186 19231 4590 1 8 . 1 1 98 98 ASN CA C 98 52.429 52.429 53.227 -0.798 19231 4591 1 8 . 1 1 98 98 ASN CB C 98 38.912 38.912 37.779 1.133 19231 4592 1 8 . 1 1 98 98 ASN H H 98 8.654 8.654 8.669 -0.015 19231 4593 1 8 . 1 1 99 99 ASN N N 99 117.488 117.488 117.481 0.007 19231 4594 1 8 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.491 0.309 19231 4595 1 8 . 1 1 99 99 ASN C C 99 174.744 174.744 174.904 -0.160 19231 4596 1 8 . 1 1 99 99 ASN CA C 99 53.048 53.048 54.219 -1.171 19231 4597 1 8 . 1 1 99 99 ASN CB C 99 39.039 39.039 37.639 1.400 19231 4598 1 8 . 1 1 99 99 ASN H H 99 8.131 8.131 8.912 -0.781 19231 4599 1 8 . 1 1 100 100 ILE N N 100 118.881 118.881 116.187 2.694 19231 4600 1 8 . 1 1 100 100 ILE HA H 100 4.240 4.240 4.030 0.210 19231 4601 1 8 . 1 1 100 100 ILE C C 100 175.769 175.769 176.271 -0.502 19231 4602 1 8 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.518 -1.514 19231 4603 1 8 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.059 1.620 19231 4604 1 8 . 1 1 100 100 ILE H H 100 8.139 8.139 8.182 -0.043 19231 4605 1 8 . 1 1 101 101 ASP N N 101 123.516 123.516 119.086 4.430 19231 4606 1 8 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.469 0.251 19231 4607 1 8 . 1 1 101 101 ASP C C 101 176.210 176.210 177.349 -1.139 19231 4608 1 8 . 1 1 101 101 ASP CA C 101 54.513 54.513 55.990 -1.477 19231 4609 1 8 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.069 1.152 19231 4610 1 8 . 1 1 101 101 ASP H H 101 8.426 8.426 8.410 0.016 19231 4611 1 8 . 1 1 102 102 THR N N 102 113.358 113.358 114.675 -1.317 19231 4612 1 8 . 1 1 102 102 THR HA H 102 4.360 4.360 4.024 0.336 19231 4613 1 8 . 1 1 102 102 THR C C 102 173.733 173.733 175.083 -1.350 19231 4614 1 8 . 1 1 102 102 THR CA C 102 61.477 61.477 64.530 -3.053 19231 4615 1 8 . 1 1 102 102 THR CB C 102 69.788 69.788 69.272 0.516 19231 4616 1 8 . 1 1 102 102 THR H H 102 8.045 8.045 7.469 0.576 19231 4617 1 9 . 1 1 2 2 GLN N N 2 121.990 121.990 121.968 0.022 19231 4618 1 9 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.302 0.035 19231 4619 1 9 . 1 1 2 2 GLN C C 2 176.320 176.320 175.781 0.539 19231 4620 1 9 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.405 -0.110 19231 4621 1 9 . 1 1 2 2 GLN CB C 2 29.270 29.270 26.556 2.714 19231 4622 1 9 . 1 1 2 2 GLN H H 2 8.705 8.705 8.433 0.272 19231 4623 1 9 . 1 1 3 3 GLY N N 3 110.481 110.481 109.516 0.965 19231 4624 1 9 . 1 1 3 3 GLY C C 3 174.116 174.116 173.189 0.927 19231 4625 1 9 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.548 -0.433 19231 4626 1 9 . 1 1 3 3 GLY H H 3 8.540 8.540 8.543 -0.003 19231 4627 1 9 . 1 1 4 4 ASP N N 4 120.750 120.750 119.129 1.621 19231 4628 1 9 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.600 0.041 19231 4629 1 9 . 1 1 4 4 ASP C C 4 175.974 175.974 173.580 2.394 19231 4630 1 9 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.798 0.658 19231 4631 1 9 . 1 1 4 4 ASP CB C 4 41.190 41.190 42.698 -1.508 19231 4632 1 9 . 1 1 4 4 ASP H H 4 8.251 8.251 7.954 0.297 19231 4633 1 9 . 1 1 5 5 ASN N N 5 118.421 118.421 120.090 -1.669 19231 4634 1 9 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.814 -0.053 19231 4635 1 9 . 1 1 5 5 ASN C C 5 174.017 174.017 173.063 0.954 19231 4636 1 9 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.268 0.086 19231 4637 1 9 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.626 -1.690 19231 4638 1 9 . 1 1 5 5 ASN H H 5 8.513 8.513 8.564 -0.051 19231 4639 1 9 . 1 1 6 6 GLU N N 6 120.905 120.905 121.534 -0.629 19231 4640 1 9 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.134 0.338 19231 4641 1 9 . 1 1 6 6 GLU C C 6 175.808 175.808 174.588 1.220 19231 4642 1 9 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.445 -0.350 19231 4643 1 9 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.215 -0.202 19231 4644 1 9 . 1 1 6 6 GLU H H 6 8.116 8.116 8.392 -0.276 19231 4645 1 9 . 1 1 7 7 ILE N N 7 122.567 122.567 115.011 7.556 19231 4646 1 9 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.732 -0.198 19231 4647 1 9 . 1 1 7 7 ILE C C 7 174.653 174.653 174.122 0.531 19231 4648 1 9 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.811 0.302 19231 4649 1 9 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.456 -0.114 19231 4650 1 9 . 1 1 7 7 ILE H H 7 8.966 8.966 8.428 0.538 19231 4651 1 9 . 1 1 8 8 SER N N 8 120.446 120.446 117.550 2.896 19231 4652 1 9 . 1 1 8 8 SER HA H 8 5.536 5.536 5.535 0.001 19231 4653 1 9 . 1 1 8 8 SER C C 8 174.082 174.082 173.729 0.353 19231 4654 1 9 . 1 1 8 8 SER CA C 8 57.050 57.050 57.566 -0.516 19231 4655 1 9 . 1 1 8 8 SER CB C 8 65.470 65.470 65.600 -0.130 19231 4656 1 9 . 1 1 8 8 SER H H 8 8.773 8.773 8.360 0.413 19231 4657 1 9 . 1 1 9 9 VAL N N 9 124.896 124.896 124.412 0.484 19231 4658 1 9 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.302 -0.112 19231 4659 1 9 . 1 1 9 9 VAL C C 9 176.141 176.141 175.901 0.240 19231 4660 1 9 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.886 -0.588 19231 4661 1 9 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.449 1.314 19231 4662 1 9 . 1 1 9 9 VAL H H 9 8.874 8.874 8.822 0.052 19231 4663 1 9 . 1 1 10 10 GLY N N 10 117.992 117.992 117.134 0.858 19231 4664 1 9 . 1 1 10 10 GLY C C 10 174.785 174.785 174.489 0.296 19231 4665 1 9 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.637 0.693 19231 4666 1 9 . 1 1 10 10 GLY H H 10 9.114 9.114 8.646 0.468 19231 4667 1 9 . 1 1 11 11 ASN N N 11 124.908 124.908 122.723 2.185 19231 4668 1 9 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.943 -0.255 19231 4669 1 9 . 1 1 11 11 ASN C C 11 174.765 174.765 174.497 0.268 19231 4670 1 9 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.913 -0.035 19231 4671 1 9 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.700 -2.423 19231 4672 1 9 . 1 1 11 11 ASN H H 11 8.609 8.609 8.453 0.156 19231 4673 1 9 . 1 1 12 12 LEU N N 12 123.550 123.550 121.651 1.899 19231 4674 1 9 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.138 0.277 19231 4675 1 9 . 1 1 12 12 LEU C C 12 175.653 175.653 176.025 -0.372 19231 4676 1 9 . 1 1 12 12 LEU CA C 12 53.937 53.937 53.909 0.028 19231 4677 1 9 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.253 2.185 19231 4678 1 9 . 1 1 12 12 LEU H H 12 8.256 8.256 7.397 0.859 19231 4679 1 9 . 1 1 13 13 ARG N N 13 124.719 124.719 122.723 1.996 19231 4680 1 9 . 1 1 13 13 ARG HA H 13 5.227 5.227 5.094 0.133 19231 4681 1 9 . 1 1 13 13 ARG C C 13 173.394 173.394 174.710 -1.316 19231 4682 1 9 . 1 1 13 13 ARG CA C 13 55.017 55.017 54.882 0.135 19231 4683 1 9 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.927 1.580 19231 4684 1 9 . 1 1 13 13 ARG H H 13 9.169 9.169 8.321 0.848 19231 4685 1 9 . 1 1 14 14 LEU N N 14 127.743 127.743 125.152 2.591 19231 4686 1 9 . 1 1 14 14 LEU HA H 14 5.316 5.316 5.087 0.229 19231 4687 1 9 . 1 1 14 14 LEU C C 14 174.807 174.807 174.799 0.008 19231 4688 1 9 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.515 0.301 19231 4689 1 9 . 1 1 14 14 LEU CB C 14 45.806 45.806 46.032 -0.227 19231 4690 1 9 . 1 1 14 14 LEU H H 14 9.394 9.394 9.106 0.288 19231 4691 1 9 . 1 1 15 15 ASN N N 15 125.577 125.577 125.084 0.493 19231 4692 1 9 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.248 0.159 19231 4693 1 9 . 1 1 15 15 ASN C C 15 175.621 175.621 175.657 -0.036 19231 4694 1 9 . 1 1 15 15 ASN CA C 15 52.044 52.044 53.056 -1.012 19231 4695 1 9 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.781 -0.714 19231 4696 1 9 . 1 1 15 15 ASN H H 15 9.520 9.520 8.768 0.752 19231 4697 1 9 . 1 1 16 16 VAL N N 16 123.478 123.478 126.240 -2.762 19231 4698 1 9 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.048 0.032 19231 4699 1 9 . 1 1 16 16 VAL C C 16 177.902 177.902 177.554 0.348 19231 4700 1 9 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.473 -1.059 19231 4701 1 9 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.134 0.070 19231 4702 1 9 . 1 1 16 16 VAL H H 16 8.759 8.759 8.803 -0.044 19231 4703 1 9 . 1 1 17 17 THR N N 17 117.004 117.004 116.128 0.876 19231 4704 1 9 . 1 1 17 17 THR HA H 17 4.340 4.340 4.077 0.263 19231 4705 1 9 . 1 1 17 17 THR C C 17 176.177 176.177 176.063 0.114 19231 4706 1 9 . 1 1 17 17 THR CA C 17 65.922 65.922 65.196 0.726 19231 4707 1 9 . 1 1 17 17 THR CB C 17 68.899 68.899 69.087 -0.188 19231 4708 1 9 . 1 1 17 17 THR H H 17 8.045 8.045 7.719 0.326 19231 4709 1 9 . 1 1 18 18 ARG N N 18 117.565 117.565 118.370 -0.805 19231 4710 1 9 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.395 -0.197 19231 4711 1 9 . 1 1 18 18 ARG C C 18 174.802 174.802 175.831 -1.029 19231 4712 1 9 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.964 -0.359 19231 4713 1 9 . 1 1 18 18 ARG CB C 18 31.225 31.225 31.107 0.118 19231 4714 1 9 . 1 1 18 18 ARG H H 18 8.035 8.035 8.282 -0.247 19231 4715 1 9 . 1 1 19 19 ARG N N 19 117.471 117.471 119.176 -1.705 19231 4716 1 9 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.666 0.248 19231 4717 1 9 . 1 1 19 19 ARG C C 19 174.359 174.359 174.090 0.269 19231 4718 1 9 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.654 -0.167 19231 4719 1 9 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.256 -1.008 19231 4720 1 9 . 1 1 19 19 ARG H H 19 7.877 7.877 8.035 -0.158 19231 4721 1 9 . 1 1 20 20 LEU N N 20 118.701 118.701 119.832 -1.131 19231 4722 1 9 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.477 0.053 19231 4723 1 9 . 1 1 20 20 LEU C C 20 174.619 174.619 174.069 0.550 19231 4724 1 9 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.816 -0.962 19231 4725 1 9 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.041 1.206 19231 4726 1 9 . 1 1 20 20 LEU H H 20 7.565 7.565 8.448 -0.883 19231 4727 1 9 . 1 1 21 21 VAL N N 21 120.636 120.636 118.826 1.810 19231 4728 1 9 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.049 0.148 19231 4729 1 9 . 1 1 21 21 VAL C C 21 174.036 174.036 175.015 -0.979 19231 4730 1 9 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.172 -0.301 19231 4731 1 9 . 1 1 21 21 VAL CB C 21 34.448 34.448 33.986 0.462 19231 4732 1 9 . 1 1 21 21 VAL H H 21 8.466 8.466 8.308 0.158 19231 4733 1 9 . 1 1 22 22 TRP N N 22 126.709 126.709 126.873 -0.164 19231 4734 1 9 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.350 -0.220 19231 4735 1 9 . 1 1 22 22 TRP C C 22 174.877 174.877 174.668 0.209 19231 4736 1 9 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.081 0.986 19231 4737 1 9 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.192 -0.055 19231 4738 1 9 . 1 1 22 22 TRP H H 22 9.596 9.596 9.337 0.259 19231 4739 1 9 . 1 1 23 23 LEU N N 23 123.443 123.443 123.531 -0.088 19231 4740 1 9 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.695 0.339 19231 4741 1 9 . 1 1 23 23 LEU C C 23 177.552 177.552 176.640 0.912 19231 4742 1 9 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.718 -0.291 19231 4743 1 9 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.256 0.666 19231 4744 1 9 . 1 1 23 23 LEU H H 23 8.834 8.834 9.169 -0.335 19231 4745 1 9 . 1 1 24 24 GLY N N 24 117.546 117.546 117.606 -0.060 19231 4746 1 9 . 1 1 24 24 GLY C C 24 174.915 174.915 174.802 0.113 19231 4747 1 9 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.386 1.834 19231 4748 1 9 . 1 1 24 24 GLY H H 24 9.401 9.401 8.576 0.825 19231 4749 1 9 . 1 1 25 25 GLU N N 25 124.565 124.565 113.680 10.885 19231 4750 1 9 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.968 0.360 19231 4751 1 9 . 1 1 25 25 GLU C C 25 176.350 176.350 175.425 0.925 19231 4752 1 9 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.024 -1.624 19231 4753 1 9 . 1 1 25 25 GLU CB C 25 29.811 29.811 27.913 1.898 19231 4754 1 9 . 1 1 25 25 GLU H H 25 9.051 9.051 8.389 0.662 19231 4755 1 9 . 1 1 26 26 THR N N 26 117.538 117.538 110.133 7.405 19231 4756 1 9 . 1 1 26 26 THR HA H 26 4.305 4.305 4.620 -0.315 19231 4757 1 9 . 1 1 26 26 THR C C 26 173.226 173.226 173.776 -0.550 19231 4758 1 9 . 1 1 26 26 THR CA C 26 62.118 62.118 60.769 1.349 19231 4759 1 9 . 1 1 26 26 THR CB C 26 70.399 70.399 71.109 -0.710 19231 4760 1 9 . 1 1 26 26 THR H H 26 8.140 8.140 7.256 0.884 19231 4761 1 9 . 1 1 27 27 ALA N N 27 131.183 131.183 127.553 3.630 19231 4762 1 9 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.623 0.467 19231 4763 1 9 . 1 1 27 27 ALA C C 27 177.483 177.483 176.706 0.777 19231 4764 1 9 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.215 0.219 19231 4765 1 9 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.688 -0.773 19231 4766 1 9 . 1 1 27 27 ALA H H 27 8.937 8.937 8.667 0.270 19231 4767 1 9 . 1 1 28 28 LEU N N 28 124.160 124.160 125.874 -1.714 19231 4768 1 9 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.369 -0.033 19231 4769 1 9 . 1 1 28 28 LEU C C 28 176.114 176.114 175.953 0.161 19231 4770 1 9 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.764 -1.158 19231 4771 1 9 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.722 -0.400 19231 4772 1 9 . 1 1 28 28 LEU H H 28 8.663 8.663 8.204 0.459 19231 4773 1 9 . 1 1 29 29 ASP N N 29 124.715 124.715 126.851 -2.136 19231 4774 1 9 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.832 -0.122 19231 4775 1 9 . 1 1 29 29 ASP C C 29 174.721 174.721 175.304 -0.583 19231 4776 1 9 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.841 -0.517 19231 4777 1 9 . 1 1 29 29 ASP CB C 29 40.336 40.336 41.320 -0.984 19231 4778 1 9 . 1 1 29 29 ASP H H 29 8.690 8.690 8.491 0.199 19231 4779 1 9 . 1 1 30 30 LEU N N 30 123.472 123.472 121.234 2.238 19231 4780 1 9 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.899 -0.068 19231 4781 1 9 . 1 1 30 30 LEU C C 30 177.944 177.944 176.621 1.323 19231 4782 1 9 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.648 -0.711 19231 4783 1 9 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.920 -0.940 19231 4784 1 9 . 1 1 30 30 LEU H H 30 7.969 7.969 8.080 -0.111 19231 4785 1 9 . 1 1 31 31 THR N N 31 115.969 115.969 112.505 3.464 19231 4786 1 9 . 1 1 31 31 THR HA H 31 4.700 4.700 4.390 0.310 19231 4787 1 9 . 1 1 31 31 THR C C 31 173.645 173.645 174.925 -1.280 19231 4788 1 9 . 1 1 31 31 THR CA C 31 60.704 60.704 60.301 0.403 19231 4789 1 9 . 1 1 31 31 THR CB C 31 67.869 67.869 68.473 -0.604 19231 4790 1 9 . 1 1 31 31 THR H H 31 8.864 8.864 8.499 0.365 19231 4791 1 9 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.252 0.028 19231 4792 1 9 . 1 1 32 32 PRO C C 32 178.657 178.657 178.372 0.285 19231 4793 1 9 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.459 1.045 19231 4794 1 9 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.895 0.084 19231 4795 1 9 . 1 1 33 33 LYS N N 33 116.417 116.417 117.333 -0.916 19231 4796 1 9 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.031 -0.107 19231 4797 1 9 . 1 1 33 33 LYS C C 33 178.084 178.084 178.967 -0.883 19231 4798 1 9 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.025 0.640 19231 4799 1 9 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.249 1.323 19231 4800 1 9 . 1 1 33 33 LYS H H 33 8.044 8.044 8.406 -0.362 19231 4801 1 9 . 1 1 34 34 GLU N N 34 118.272 118.272 119.420 -1.148 19231 4802 1 9 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.981 -0.361 19231 4803 1 9 . 1 1 34 34 GLU C C 34 178.512 178.512 178.629 -0.117 19231 4804 1 9 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.830 0.714 19231 4805 1 9 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.161 1.360 19231 4806 1 9 . 1 1 34 34 GLU H H 34 7.376 7.376 7.766 -0.390 19231 4807 1 9 . 1 1 35 35 TYR N N 35 118.351 118.351 120.071 -1.720 19231 4808 1 9 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.069 -0.372 19231 4809 1 9 . 1 1 35 35 TYR C C 35 177.597 177.597 177.091 0.506 19231 4810 1 9 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.505 0.796 19231 4811 1 9 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.080 -0.146 19231 4812 1 9 . 1 1 35 35 TYR H H 35 8.950 8.950 7.668 1.282 19231 4813 1 9 . 1 1 36 36 ALA N N 36 123.913 123.913 122.257 1.656 19231 4814 1 9 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.069 -0.326 19231 4815 1 9 . 1 1 36 36 ALA C C 36 180.061 180.061 179.308 0.753 19231 4816 1 9 . 1 1 36 36 ALA CA C 36 55.413 55.413 55.016 0.397 19231 4817 1 9 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.225 -0.163 19231 4818 1 9 . 1 1 36 36 ALA H H 36 8.147 8.147 7.838 0.309 19231 4819 1 9 . 1 1 37 37 LEU N N 37 116.924 116.924 119.529 -2.605 19231 4820 1 9 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.133 -0.223 19231 4821 1 9 . 1 1 37 37 LEU C C 37 177.760 177.760 179.200 -1.440 19231 4822 1 9 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.773 -0.437 19231 4823 1 9 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.173 1.870 19231 4824 1 9 . 1 1 37 37 LEU H H 37 7.651 7.651 7.488 0.163 19231 4825 1 9 . 1 1 38 38 LEU N N 38 118.232 118.232 120.863 -2.631 19231 4826 1 9 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.822 0.048 19231 4827 1 9 . 1 1 38 38 LEU C C 38 178.524 178.524 177.989 0.535 19231 4828 1 9 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.615 -1.218 19231 4829 1 9 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.451 -0.322 19231 4830 1 9 . 1 1 38 38 LEU H H 38 8.550 8.550 8.506 0.044 19231 4831 1 9 . 1 1 39 39 SER N N 39 113.045 113.045 114.867 -1.822 19231 4832 1 9 . 1 1 39 39 SER HA H 39 3.700 3.700 4.028 -0.328 19231 4833 1 9 . 1 1 39 39 SER C C 39 175.854 175.854 176.984 -1.130 19231 4834 1 9 . 1 1 39 39 SER CA C 39 62.126 62.126 61.686 0.440 19231 4835 1 9 . 1 1 39 39 SER CB C 39 68.227 68.227 62.781 5.446 19231 4836 1 9 . 1 1 39 39 SER H H 39 8.540 8.540 8.155 0.385 19231 4837 1 9 . 1 1 40 40 ARG N N 40 121.521 121.521 121.561 -0.040 19231 4838 1 9 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.199 -0.189 19231 4839 1 9 . 1 1 40 40 ARG C C 40 178.731 178.731 178.438 0.293 19231 4840 1 9 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.042 0.269 19231 4841 1 9 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.894 -1.369 19231 4842 1 9 . 1 1 40 40 ARG H H 40 7.112 7.112 7.832 -0.720 19231 4843 1 9 . 1 1 41 41 LEU N N 41 115.939 115.939 119.995 -4.056 19231 4844 1 9 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.935 0.057 19231 4845 1 9 . 1 1 41 41 LEU C C 41 180.049 180.049 178.859 1.190 19231 4846 1 9 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.300 -0.464 19231 4847 1 9 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.869 0.147 19231 4848 1 9 . 1 1 41 41 LEU H H 41 7.960 7.960 8.160 -0.200 19231 4849 1 9 . 1 1 42 42 MET N N 42 116.335 116.335 115.042 1.293 19231 4850 1 9 . 1 1 42 42 MET HA H 42 3.877 3.877 4.174 -0.297 19231 4851 1 9 . 1 1 42 42 MET C C 42 178.748 178.748 178.465 0.283 19231 4852 1 9 . 1 1 42 42 MET CA C 42 59.530 59.530 57.530 2.000 19231 4853 1 9 . 1 1 42 42 MET CB C 42 33.449 33.449 32.167 1.282 19231 4854 1 9 . 1 1 42 42 MET H H 42 8.825 8.825 8.364 0.461 19231 4855 1 9 . 1 1 43 43 MET N N 43 119.000 119.000 120.227 -1.227 19231 4856 1 9 . 1 1 43 43 MET HA H 43 4.137 4.137 4.237 -0.100 19231 4857 1 9 . 1 1 43 43 MET C C 43 176.813 176.813 176.410 0.403 19231 4858 1 9 . 1 1 43 43 MET CA C 43 58.405 58.405 58.047 0.358 19231 4859 1 9 . 1 1 43 43 MET CB C 43 32.382 32.382 32.910 -0.528 19231 4860 1 9 . 1 1 43 43 MET H H 43 8.250 8.250 7.553 0.697 19231 4861 1 9 . 1 1 44 44 LYS N N 44 117.715 117.715 117.595 0.120 19231 4862 1 9 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.557 0.074 19231 4863 1 9 . 1 1 44 44 LYS C C 44 175.226 175.226 175.037 0.189 19231 4864 1 9 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.748 -1.923 19231 4865 1 9 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.470 -0.999 19231 4866 1 9 . 1 1 44 44 LYS H H 44 7.088 7.088 7.329 -0.241 19231 4867 1 9 . 1 1 45 45 ALA N N 45 122.613 122.613 122.188 0.425 19231 4868 1 9 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.305 0.014 19231 4869 1 9 . 1 1 45 45 ALA C C 45 178.994 178.994 178.503 0.491 19231 4870 1 9 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.628 1.046 19231 4871 1 9 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.960 0.436 19231 4872 1 9 . 1 1 45 45 ALA H H 45 6.952 6.952 7.840 -0.888 19231 4873 1 9 . 1 1 46 46 GLY N N 46 109.561 109.561 111.048 -1.487 19231 4874 1 9 . 1 1 46 46 GLY C C 46 173.547 173.547 174.592 -1.045 19231 4875 1 9 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.135 0.331 19231 4876 1 9 . 1 1 46 46 GLY H H 46 8.944 8.944 8.742 0.202 19231 4877 1 9 . 1 1 47 47 SER N N 47 116.886 116.886 117.502 -0.616 19231 4878 1 9 . 1 1 47 47 SER HA H 47 5.130 5.130 4.864 0.266 19231 4879 1 9 . 1 1 47 47 SER C C 47 170.481 170.481 172.494 -2.013 19231 4880 1 9 . 1 1 47 47 SER CA C 47 55.988 55.988 55.079 0.909 19231 4881 1 9 . 1 1 47 47 SER CB C 47 65.098 65.098 64.899 0.199 19231 4882 1 9 . 1 1 47 47 SER H H 47 8.759 8.759 7.739 1.020 19231 4883 1 9 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.567 -0.149 19231 4884 1 9 . 1 1 48 48 PRO C C 48 175.854 175.854 176.420 -0.566 19231 4885 1 9 . 1 1 48 48 PRO CA C 48 62.446 62.446 63.274 -0.828 19231 4886 1 9 . 1 1 48 48 PRO CB C 48 32.909 32.909 31.884 1.024 19231 4887 1 9 . 1 1 49 49 VAL N N 49 124.173 124.173 124.460 -0.287 19231 4888 1 9 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.325 0.086 19231 4889 1 9 . 1 1 49 49 VAL C C 49 175.186 175.186 175.618 -0.432 19231 4890 1 9 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.047 0.412 19231 4891 1 9 . 1 1 49 49 VAL CB C 49 33.496 33.496 34.423 -0.927 19231 4892 1 9 . 1 1 49 49 VAL H H 49 9.235 9.235 8.852 0.383 19231 4893 1 9 . 1 1 50 50 HIS N N 50 128.035 128.035 125.575 2.460 19231 4894 1 9 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.262 -0.692 19231 4895 1 9 . 1 1 50 50 HIS C C 50 177.130 177.130 175.556 1.574 19231 4896 1 9 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.572 2.881 19231 4897 1 9 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.769 0.773 19231 4898 1 9 . 1 1 50 50 HIS H H 50 8.791 8.791 8.829 -0.038 19231 4899 1 9 . 1 1 51 51 ARG N N 51 125.631 125.631 128.031 -2.400 19231 4900 1 9 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.850 0.030 19231 4901 1 9 . 1 1 51 51 ARG C C 51 176.786 176.786 177.319 -0.533 19231 4902 1 9 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.349 0.730 19231 4903 1 9 . 1 1 51 51 ARG CB C 51 30.150 30.150 30.222 -0.072 19231 4904 1 9 . 1 1 51 51 ARG H H 51 8.544 8.544 8.638 -0.094 19231 4905 1 9 . 1 1 52 52 GLU N N 52 120.964 120.964 119.323 1.641 19231 4906 1 9 . 1 1 52 52 GLU HA H 52 4.080 4.080 4.023 0.057 19231 4907 1 9 . 1 1 52 52 GLU C C 52 179.334 179.334 178.410 0.924 19231 4908 1 9 . 1 1 52 52 GLU CA C 52 59.769 59.769 59.135 0.634 19231 4909 1 9 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.989 0.239 19231 4910 1 9 . 1 1 52 52 GLU H H 52 10.831 10.831 7.431 3.400 19231 4911 1 9 . 1 1 53 53 ILE N N 53 119.337 119.337 119.386 -0.049 19231 4912 1 9 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.715 0.156 19231 4913 1 9 . 1 1 53 53 ILE C C 53 178.080 178.080 178.286 -0.206 19231 4914 1 9 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.486 -1.376 19231 4915 1 9 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.702 -0.206 19231 4916 1 9 . 1 1 53 53 ILE H H 53 7.239 7.239 7.683 -0.444 19231 4917 1 9 . 1 1 54 54 LEU N N 54 118.502 118.502 120.045 -1.543 19231 4918 1 9 . 1 1 54 54 LEU HA H 54 4.160 4.160 3.915 0.245 19231 4919 1 9 . 1 1 54 54 LEU C C 54 178.676 178.676 179.760 -1.084 19231 4920 1 9 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.801 -0.727 19231 4921 1 9 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.126 0.197 19231 4922 1 9 . 1 1 54 54 LEU H H 54 7.198 7.198 7.275 -0.077 19231 4923 1 9 . 1 1 55 55 TYR N N 55 117.114 117.114 118.399 -1.285 19231 4924 1 9 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.274 -0.139 19231 4925 1 9 . 1 1 55 55 TYR C C 55 177.987 177.987 178.112 -0.125 19231 4926 1 9 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.990 -0.853 19231 4927 1 9 . 1 1 55 55 TYR CB C 55 38.107 38.107 37.789 0.318 19231 4928 1 9 . 1 1 55 55 TYR H H 55 8.872 8.872 7.686 1.186 19231 4929 1 9 . 1 1 56 56 ASN N N 56 116.720 116.720 116.208 0.512 19231 4930 1 9 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.889 -0.404 19231 4931 1 9 . 1 1 56 56 ASN C C 56 177.439 177.439 177.165 0.274 19231 4932 1 9 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.965 0.048 19231 4933 1 9 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.157 0.133 19231 4934 1 9 . 1 1 56 56 ASN H H 56 7.796 7.796 8.018 -0.222 19231 4935 1 9 . 1 1 57 57 ASP N N 57 118.532 118.532 120.808 -2.276 19231 4936 1 9 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.419 0.121 19231 4937 1 9 . 1 1 57 57 ASP C C 57 177.886 177.886 177.439 0.447 19231 4938 1 9 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.690 0.396 19231 4939 1 9 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.935 -0.055 19231 4940 1 9 . 1 1 57 57 ASP H H 57 7.842 7.842 7.994 -0.152 19231 4941 1 9 . 1 1 58 58 ILE N N 58 109.975 109.975 116.314 -6.339 19231 4942 1 9 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.906 0.394 19231 4943 1 9 . 1 1 58 58 ILE C C 58 175.916 175.916 176.764 -0.848 19231 4944 1 9 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.095 -0.755 19231 4945 1 9 . 1 1 58 58 ILE CB C 58 38.830 38.830 39.051 -0.221 19231 4946 1 9 . 1 1 58 58 ILE H H 58 7.277 7.277 7.364 -0.087 19231 4947 1 9 . 1 1 59 59 TYR N N 59 122.761 122.761 120.926 1.835 19231 4948 1 9 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.702 -0.406 19231 4949 1 9 . 1 1 59 59 TYR C C 59 176.037 176.037 176.612 -0.575 19231 4950 1 9 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.697 2.473 19231 4951 1 9 . 1 1 59 59 TYR CB C 59 38.277 38.277 36.256 2.021 19231 4952 1 9 . 1 1 59 59 TYR H H 59 7.788 7.788 8.348 -0.560 19231 4953 1 9 . 1 1 60 60 SER N N 60 117.350 117.350 119.883 -2.533 19231 4954 1 9 . 1 1 60 60 SER HA H 60 4.292 4.292 4.394 -0.102 19231 4955 1 9 . 1 1 60 60 SER C C 60 174.206 174.206 176.059 -1.853 19231 4956 1 9 . 1 1 60 60 SER CA C 60 57.976 57.976 61.356 -3.380 19231 4957 1 9 . 1 1 60 60 SER CB C 60 63.884 63.884 63.452 0.432 19231 4958 1 9 . 1 1 60 60 SER H H 60 7.721 7.721 8.021 -0.300 19231 4959 1 9 . 1 1 61 61 TRP N N 61 122.170 122.170 122.517 -0.347 19231 4960 1 9 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.907 -0.430 19231 4961 1 9 . 1 1 61 61 TRP C C 61 175.798 175.798 176.196 -0.398 19231 4962 1 9 . 1 1 61 61 TRP CA C 61 57.863 57.863 55.560 2.303 19231 4963 1 9 . 1 1 61 61 TRP CB C 61 28.826 28.826 27.616 1.210 19231 4964 1 9 . 1 1 61 61 TRP H H 61 7.990 7.990 8.132 -0.142 19231 4965 1 9 . 1 1 62 62 ASP N N 62 119.118 119.118 122.382 -3.264 19231 4966 1 9 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.497 -0.057 19231 4967 1 9 . 1 1 62 62 ASP C C 62 175.559 175.559 176.815 -1.256 19231 4968 1 9 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.226 -1.415 19231 4969 1 9 . 1 1 62 62 ASP CB C 62 40.716 40.716 41.731 -1.015 19231 4970 1 9 . 1 1 62 62 ASP H H 62 7.900 7.900 7.921 -0.021 19231 4971 1 9 . 1 1 63 63 ASN N N 63 117.586 117.586 118.350 -0.764 19231 4972 1 9 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.388 0.158 19231 4973 1 9 . 1 1 63 63 ASN C C 63 174.737 174.737 173.806 0.931 19231 4974 1 9 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.840 -0.682 19231 4975 1 9 . 1 1 63 63 ASN CB C 63 38.743 38.743 37.937 0.806 19231 4976 1 9 . 1 1 63 63 ASN H H 63 8.080 8.080 8.708 -0.628 19231 4977 1 9 . 1 1 64 64 GLU N N 64 121.831 121.831 119.576 2.255 19231 4978 1 9 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.519 0.061 19231 4979 1 9 . 1 1 64 64 GLU C C 64 174.706 174.706 173.918 0.788 19231 4980 1 9 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.341 -0.581 19231 4981 1 9 . 1 1 64 64 GLU CB C 64 29.829 29.829 30.284 -0.455 19231 4982 1 9 . 1 1 64 64 GLU H H 64 8.224 8.224 8.132 0.092 19231 4983 1 9 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.573 -0.179 19231 4984 1 9 . 1 1 65 65 PRO C C 65 177.312 177.312 176.241 1.071 19231 4985 1 9 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.630 1.194 19231 4986 1 9 . 1 1 65 65 PRO CB C 65 31.871 31.871 32.133 -0.262 19231 4987 1 9 . 1 1 66 66 ALA N N 66 122.755 122.755 128.030 -5.275 19231 4988 1 9 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.191 0.159 19231 4989 1 9 . 1 1 66 66 ALA C C 66 178.352 178.352 177.414 0.938 19231 4990 1 9 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.673 -0.825 19231 4991 1 9 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.334 -0.248 19231 4992 1 9 . 1 1 66 66 ALA H H 66 8.465 8.465 8.479 -0.014 19231 4993 1 9 . 1 1 67 67 THR N N 67 111.079 111.079 108.829 2.250 19231 4994 1 9 . 1 1 67 67 THR HA H 67 4.287 4.287 4.251 0.036 19231 4995 1 9 . 1 1 67 67 THR C C 67 175.040 175.040 173.006 2.034 19231 4996 1 9 . 1 1 67 67 THR CA C 67 62.505 62.505 61.266 1.239 19231 4997 1 9 . 1 1 67 67 THR CB C 67 69.187 69.187 69.600 -0.413 19231 4998 1 9 . 1 1 67 67 THR H H 67 8.002 8.002 7.534 0.468 19231 4999 1 9 . 1 1 68 68 ASN N N 68 120.768 120.768 119.745 1.023 19231 5000 1 9 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.482 0.497 19231 5001 1 9 . 1 1 68 68 ASN C C 68 175.250 175.250 174.763 0.487 19231 5002 1 9 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.976 -1.940 19231 5003 1 9 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.613 0.065 19231 5004 1 9 . 1 1 68 68 ASN H H 68 8.280 8.280 8.523 -0.243 19231 5005 1 9 . 1 1 69 69 THR N N 69 112.288 112.288 119.171 -6.883 19231 5006 1 9 . 1 1 69 69 THR HA H 69 4.480 4.480 4.142 0.338 19231 5007 1 9 . 1 1 69 69 THR C C 69 175.830 175.830 175.127 0.703 19231 5008 1 9 . 1 1 69 69 THR CA C 69 62.328 62.328 63.120 -0.792 19231 5009 1 9 . 1 1 69 69 THR CB C 69 69.927 69.927 69.776 0.151 19231 5010 1 9 . 1 1 69 69 THR H H 69 7.691 7.691 8.237 -0.546 19231 5011 1 9 . 1 1 70 70 LEU N N 70 123.384 123.384 122.522 0.862 19231 5012 1 9 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.361 -0.281 19231 5013 1 9 . 1 1 70 70 LEU C C 70 177.457 177.457 178.540 -1.083 19231 5014 1 9 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.154 0.454 19231 5015 1 9 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.477 0.017 19231 5016 1 9 . 1 1 70 70 LEU H H 70 8.843 8.843 7.974 0.869 19231 5017 1 9 . 1 1 71 71 GLU N N 71 116.878 116.878 116.914 -0.036 19231 5018 1 9 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.265 -0.560 19231 5019 1 9 . 1 1 71 71 GLU C C 71 179.305 179.305 179.063 0.242 19231 5020 1 9 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.136 2.035 19231 5021 1 9 . 1 1 71 71 GLU CB C 71 28.828 28.828 28.979 -0.151 19231 5022 1 9 . 1 1 71 71 GLU H H 71 8.652 8.652 8.643 0.009 19231 5023 1 9 . 1 1 72 72 VAL N N 72 121.419 121.419 119.169 2.250 19231 5024 1 9 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.830 -0.145 19231 5025 1 9 . 1 1 72 72 VAL C C 72 177.680 177.680 178.133 -0.453 19231 5026 1 9 . 1 1 72 72 VAL CA C 72 66.111 66.111 65.977 0.134 19231 5027 1 9 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.261 0.206 19231 5028 1 9 . 1 1 72 72 VAL H H 72 7.559 7.559 7.659 -0.100 19231 5029 1 9 . 1 1 73 73 HIS N N 73 118.272 118.272 120.149 -1.877 19231 5030 1 9 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.218 0.242 19231 5031 1 9 . 1 1 73 73 HIS C C 73 178.616 178.616 178.237 0.379 19231 5032 1 9 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.781 0.425 19231 5033 1 9 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.707 1.562 19231 5034 1 9 . 1 1 73 73 HIS H H 73 7.420 7.420 7.957 -0.537 19231 5035 1 9 . 1 1 74 74 ILE N N 74 118.940 118.940 118.993 -0.053 19231 5036 1 9 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.734 -0.164 19231 5037 1 9 . 1 1 74 74 ILE C C 74 177.819 177.819 178.049 -0.230 19231 5038 1 9 . 1 1 74 74 ILE CA C 74 61.943 61.943 63.680 -1.737 19231 5039 1 9 . 1 1 74 74 ILE CB C 74 34.275 34.275 36.562 -2.287 19231 5040 1 9 . 1 1 74 74 ILE H H 74 8.515 8.515 7.835 0.680 19231 5041 1 9 . 1 1 75 75 HIS N N 75 120.484 120.484 120.876 -0.392 19231 5042 1 9 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.257 0.013 19231 5043 1 9 . 1 1 75 75 HIS C C 75 177.445 177.445 177.392 0.053 19231 5044 1 9 . 1 1 75 75 HIS CA C 75 60.116 60.116 59.377 0.739 19231 5045 1 9 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.921 -1.109 19231 5046 1 9 . 1 1 75 75 HIS H H 75 8.189 8.189 7.939 0.250 19231 5047 1 9 . 1 1 76 76 ASN N N 76 119.098 119.098 118.381 0.717 19231 5048 1 9 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.334 0.055 19231 5049 1 9 . 1 1 76 76 ASN C C 76 178.615 178.615 178.286 0.329 19231 5050 1 9 . 1 1 76 76 ASN CA C 76 55.505 55.505 56.360 -0.855 19231 5051 1 9 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.261 -0.953 19231 5052 1 9 . 1 1 76 76 ASN H H 76 8.456 8.456 8.616 -0.160 19231 5053 1 9 . 1 1 77 77 LEU N N 77 120.517 120.517 121.218 -0.701 19231 5054 1 9 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.019 -0.068 19231 5055 1 9 . 1 1 77 77 LEU C C 77 178.945 178.945 178.420 0.525 19231 5056 1 9 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.852 0.144 19231 5057 1 9 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.611 1.495 19231 5058 1 9 . 1 1 77 77 LEU H H 77 8.579 8.579 8.595 -0.016 19231 5059 1 9 . 1 1 78 78 ARG N N 78 119.521 119.521 120.459 -0.938 19231 5060 1 9 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.839 -0.179 19231 5061 1 9 . 1 1 78 78 ARG C C 78 178.766 178.766 178.175 0.591 19231 5062 1 9 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.202 -0.767 19231 5063 1 9 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.054 0.780 19231 5064 1 9 . 1 1 78 78 ARG H H 78 8.687 8.687 8.458 0.229 19231 5065 1 9 . 1 1 79 79 GLU N N 79 116.882 116.882 117.242 -0.360 19231 5066 1 9 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.112 -0.183 19231 5067 1 9 . 1 1 79 79 GLU C C 79 178.226 178.226 178.220 0.006 19231 5068 1 9 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.887 -0.221 19231 5069 1 9 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.194 0.357 19231 5070 1 9 . 1 1 79 79 GLU H H 79 7.717 7.717 7.892 -0.175 19231 5071 1 9 . 1 1 80 80 LYS N N 80 116.574 116.574 117.322 -0.748 19231 5072 1 9 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.178 0.074 19231 5073 1 9 . 1 1 80 80 LYS C C 80 178.413 178.413 178.201 0.212 19231 5074 1 9 . 1 1 80 80 LYS CA C 80 59.061 59.061 57.495 1.566 19231 5075 1 9 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.856 1.582 19231 5076 1 9 . 1 1 80 80 LYS H H 80 7.419 7.419 7.871 -0.452 19231 5077 1 9 . 1 1 81 81 ILE N N 81 108.393 108.393 113.050 -4.657 19231 5078 1 9 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.090 0.594 19231 5079 1 9 . 1 1 81 81 ILE C C 81 174.986 174.986 176.427 -1.441 19231 5080 1 9 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.911 -0.765 19231 5081 1 9 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.819 0.393 19231 5082 1 9 . 1 1 81 81 ILE H H 81 8.162 8.162 7.693 0.469 19231 5083 1 9 . 1 1 82 82 GLY N N 82 113.636 113.636 109.451 4.185 19231 5084 1 9 . 1 1 82 82 GLY C C 82 175.419 175.419 174.984 0.435 19231 5085 1 9 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.755 0.101 19231 5086 1 9 . 1 1 82 82 GLY H H 82 7.852 7.852 8.223 -0.371 19231 5087 1 9 . 1 1 83 83 LYS N N 83 125.732 125.732 122.535 3.197 19231 5088 1 9 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.963 -0.233 19231 5089 1 9 . 1 1 83 83 LYS C C 83 178.177 178.177 177.934 0.243 19231 5090 1 9 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.983 0.939 19231 5091 1 9 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.977 0.389 19231 5092 1 9 . 1 1 83 83 LYS H H 83 8.511 8.511 8.685 -0.174 19231 5093 1 9 . 1 1 84 84 SER N N 84 110.852 110.852 116.591 -5.739 19231 5094 1 9 . 1 1 84 84 SER HA H 84 4.346 4.346 4.138 0.208 19231 5095 1 9 . 1 1 84 84 SER C C 84 175.008 175.008 175.910 -0.902 19231 5096 1 9 . 1 1 84 84 SER CA C 84 58.935 58.935 60.740 -1.805 19231 5097 1 9 . 1 1 84 84 SER CB C 84 63.140 63.140 62.130 1.010 19231 5098 1 9 . 1 1 84 84 SER H H 84 8.438 8.438 8.073 0.365 19231 5099 1 9 . 1 1 85 85 ARG N N 85 118.561 118.561 121.576 -3.015 19231 5100 1 9 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.089 0.141 19231 5101 1 9 . 1 1 85 85 ARG C C 85 176.208 176.208 175.777 0.431 19231 5102 1 9 . 1 1 85 85 ARG CA C 85 57.156 57.156 57.902 -0.746 19231 5103 1 9 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.645 -0.257 19231 5104 1 9 . 1 1 85 85 ARG H H 85 7.656 7.656 7.817 -0.161 19231 5105 1 9 . 1 1 86 86 ILE N N 86 113.200 113.200 109.834 3.366 19231 5106 1 9 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.479 0.416 19231 5107 1 9 . 1 1 86 86 ILE C C 86 175.573 175.573 173.934 1.639 19231 5108 1 9 . 1 1 86 86 ILE CA C 86 59.461 59.461 58.948 0.513 19231 5109 1 9 . 1 1 86 86 ILE CB C 86 39.188 39.188 41.479 -2.291 19231 5110 1 9 . 1 1 86 86 ILE H H 86 6.880 6.880 7.288 -0.408 19231 5111 1 9 . 1 1 87 87 ARG N N 87 128.727 128.727 121.173 7.554 19231 5112 1 9 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.754 0.043 19231 5113 1 9 . 1 1 87 87 ARG C C 87 176.501 176.501 175.012 1.489 19231 5114 1 9 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.897 -1.233 19231 5115 1 9 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.857 -1.846 19231 5116 1 9 . 1 1 87 87 ARG H H 87 9.786 9.786 8.265 1.521 19231 5117 1 9 . 1 1 88 88 THR N N 88 122.821 122.821 117.649 5.172 19231 5118 1 9 . 1 1 88 88 THR HA H 88 4.138 4.138 4.081 0.057 19231 5119 1 9 . 1 1 88 88 THR C C 88 173.802 173.802 174.054 -0.252 19231 5120 1 9 . 1 1 88 88 THR CA C 88 63.514 63.514 60.938 2.576 19231 5121 1 9 . 1 1 88 88 THR CB C 88 68.908 68.908 69.298 -0.390 19231 5122 1 9 . 1 1 88 88 THR H H 88 9.421 9.421 8.331 1.090 19231 5123 1 9 . 1 1 89 89 VAL N N 89 130.400 130.400 125.763 4.637 19231 5124 1 9 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.151 0.029 19231 5125 1 9 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.304 0.074 19231 5126 1 9 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.618 -1.732 19231 5127 1 9 . 1 1 89 89 VAL H H 89 8.400 8.400 7.924 0.476 19231 5128 1 9 . 1 1 91 91 GLY C C 91 173.530 173.530 173.343 0.187 19231 5129 1 9 . 1 1 91 91 GLY CA C 91 45.525 45.525 46.050 -0.525 19231 5130 1 9 . 1 1 92 92 PHE N N 92 119.601 119.601 118.971 0.630 19231 5131 1 9 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.707 -0.266 19231 5132 1 9 . 1 1 92 92 PHE C C 92 174.744 174.744 174.353 0.391 19231 5133 1 9 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.649 1.405 19231 5134 1 9 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.807 2.626 19231 5135 1 9 . 1 1 92 92 PHE H H 92 8.332 8.332 7.709 0.623 19231 5136 1 9 . 1 1 93 93 GLY N N 93 105.445 105.445 106.462 -1.017 19231 5137 1 9 . 1 1 93 93 GLY C C 93 171.776 171.776 172.911 -1.135 19231 5138 1 9 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.151 2.564 19231 5139 1 9 . 1 1 93 93 GLY H H 93 8.377 8.377 7.740 0.637 19231 5140 1 9 . 1 1 94 94 TYR N N 94 122.471 122.471 116.231 6.240 19231 5141 1 9 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.912 0.518 19231 5142 1 9 . 1 1 94 94 TYR C C 94 172.889 172.889 173.992 -1.103 19231 5143 1 9 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.727 -0.358 19231 5144 1 9 . 1 1 94 94 TYR CB C 94 44.052 44.052 44.008 0.044 19231 5145 1 9 . 1 1 94 94 TYR H H 94 8.475 8.475 8.255 0.220 19231 5146 1 9 . 1 1 95 95 MET N N 95 118.643 118.643 118.670 -0.027 19231 5147 1 9 . 1 1 95 95 MET HA H 95 4.890 4.890 4.801 0.089 19231 5148 1 9 . 1 1 95 95 MET C C 95 173.438 173.438 173.684 -0.246 19231 5149 1 9 . 1 1 95 95 MET CA C 95 54.125 54.125 55.532 -1.407 19231 5150 1 9 . 1 1 95 95 MET CB C 95 39.364 39.364 36.796 2.568 19231 5151 1 9 . 1 1 95 95 MET H H 95 8.936 8.936 8.562 0.374 19231 5152 1 9 . 1 1 96 96 LEU N N 96 130.194 130.194 126.372 3.822 19231 5153 1 9 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.580 0.499 19231 5154 1 9 . 1 1 96 96 LEU C C 96 174.912 174.912 176.644 -1.732 19231 5155 1 9 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.133 -0.651 19231 5156 1 9 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.791 0.965 19231 5157 1 9 . 1 1 96 96 LEU H H 96 9.848 9.848 8.752 1.096 19231 5158 1 9 . 1 1 97 97 ALA N N 97 131.168 131.168 127.252 3.916 19231 5159 1 9 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.238 0.098 19231 5160 1 9 . 1 1 97 97 ALA C C 97 176.560 176.560 176.785 -0.225 19231 5161 1 9 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.327 -0.432 19231 5162 1 9 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.047 0.964 19231 5163 1 9 . 1 1 97 97 ALA H H 97 8.681 8.681 8.402 0.279 19231 5164 1 9 . 1 1 98 98 ASN N N 98 118.268 118.268 123.284 -5.016 19231 5165 1 9 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.652 0.028 19231 5166 1 9 . 1 1 98 98 ASN C C 98 174.939 174.939 174.347 0.592 19231 5167 1 9 . 1 1 98 98 ASN CA C 98 52.429 52.429 52.978 -0.549 19231 5168 1 9 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.668 0.244 19231 5169 1 9 . 1 1 98 98 ASN H H 98 8.654 8.654 8.621 0.033 19231 5170 1 9 . 1 1 99 99 ASN N N 99 117.488 117.488 119.017 -1.529 19231 5171 1 9 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.413 0.387 19231 5172 1 9 . 1 1 99 99 ASN C C 99 174.744 174.744 176.014 -1.270 19231 5173 1 9 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.513 -0.465 19231 5174 1 9 . 1 1 99 99 ASN CB C 99 39.039 39.039 38.266 0.773 19231 5175 1 9 . 1 1 99 99 ASN H H 99 8.131 8.131 8.375 -0.244 19231 5176 1 9 . 1 1 100 100 ILE N N 100 118.881 118.881 120.338 -1.457 19231 5177 1 9 . 1 1 100 100 ILE HA H 100 4.240 4.240 4.103 0.137 19231 5178 1 9 . 1 1 100 100 ILE C C 100 175.769 175.769 176.333 -0.564 19231 5179 1 9 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.644 -1.640 19231 5180 1 9 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.799 0.880 19231 5181 1 9 . 1 1 100 100 ILE H H 100 8.139 8.139 8.670 -0.531 19231 5182 1 9 . 1 1 101 101 ASP N N 101 123.516 123.516 119.228 4.288 19231 5183 1 9 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.771 -0.051 19231 5184 1 9 . 1 1 101 101 ASP C C 101 176.210 176.210 174.860 1.350 19231 5185 1 9 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.007 0.506 19231 5186 1 9 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.093 1.128 19231 5187 1 9 . 1 1 101 101 ASP H H 101 8.426 8.426 7.830 0.596 19231 5188 1 9 . 1 1 102 102 THR N N 102 113.358 113.358 114.066 -0.708 19231 5189 1 9 . 1 1 102 102 THR HA H 102 4.360 4.360 3.984 0.376 19231 5190 1 9 . 1 1 102 102 THR C C 102 173.733 173.733 174.311 -0.578 19231 5191 1 9 . 1 1 102 102 THR CA C 102 61.477 61.477 63.598 -2.121 19231 5192 1 9 . 1 1 102 102 THR CB C 102 69.788 69.788 68.203 1.585 19231 5193 1 9 . 1 1 102 102 THR H H 102 8.045 8.045 8.064 -0.019 19231 5194 1 10 . 1 1 2 2 GLN N N 2 121.990 121.990 121.232 0.758 19231 5195 1 10 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.035 0.302 19231 5196 1 10 . 1 1 2 2 GLN C C 2 176.320 176.320 175.812 0.508 19231 5197 1 10 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.293 0.002 19231 5198 1 10 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.750 1.520 19231 5199 1 10 . 1 1 2 2 GLN H H 2 8.705 8.705 8.989 -0.284 19231 5200 1 10 . 1 1 3 3 GLY N N 3 110.481 110.481 105.148 5.333 19231 5201 1 10 . 1 1 3 3 GLY C C 3 174.116 174.116 174.084 0.032 19231 5202 1 10 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.319 -0.203 19231 5203 1 10 . 1 1 3 3 GLY H H 3 8.540 8.540 8.398 0.142 19231 5204 1 10 . 1 1 4 4 ASP N N 4 120.750 120.750 118.915 1.835 19231 5205 1 10 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.308 0.333 19231 5206 1 10 . 1 1 4 4 ASP C C 4 175.974 175.974 175.876 0.098 19231 5207 1 10 . 1 1 4 4 ASP CA C 4 54.456 54.456 54.609 -0.153 19231 5208 1 10 . 1 1 4 4 ASP CB C 4 41.190 41.190 40.381 0.809 19231 5209 1 10 . 1 1 4 4 ASP H H 4 8.251 8.251 7.639 0.612 19231 5210 1 10 . 1 1 5 5 ASN N N 5 118.421 118.421 120.790 -2.369 19231 5211 1 10 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.773 -0.012 19231 5212 1 10 . 1 1 5 5 ASN C C 5 174.017 174.017 172.958 1.059 19231 5213 1 10 . 1 1 5 5 ASN CA C 5 53.354 53.354 52.953 0.401 19231 5214 1 10 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.768 -1.832 19231 5215 1 10 . 1 1 5 5 ASN H H 5 8.513 8.513 8.328 0.185 19231 5216 1 10 . 1 1 6 6 GLU N N 6 120.905 120.905 121.384 -0.479 19231 5217 1 10 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.371 0.101 19231 5218 1 10 . 1 1 6 6 GLU C C 6 175.808 175.808 174.501 1.307 19231 5219 1 10 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.431 -0.336 19231 5220 1 10 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.379 -0.366 19231 5221 1 10 . 1 1 6 6 GLU H H 6 8.116 8.116 8.365 -0.249 19231 5222 1 10 . 1 1 7 7 ILE N N 7 122.567 122.567 114.656 7.911 19231 5223 1 10 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.736 -0.202 19231 5224 1 10 . 1 1 7 7 ILE C C 7 174.653 174.653 174.106 0.547 19231 5225 1 10 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.956 0.157 19231 5226 1 10 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.877 -0.535 19231 5227 1 10 . 1 1 7 7 ILE H H 7 8.966 8.966 8.916 0.050 19231 5228 1 10 . 1 1 8 8 SER N N 8 120.446 120.446 117.531 2.915 19231 5229 1 10 . 1 1 8 8 SER HA H 8 5.536 5.536 5.472 0.064 19231 5230 1 10 . 1 1 8 8 SER C C 8 174.082 174.082 173.083 0.999 19231 5231 1 10 . 1 1 8 8 SER CA C 8 57.050 57.050 57.554 -0.504 19231 5232 1 10 . 1 1 8 8 SER CB C 8 65.470 65.470 66.320 -0.850 19231 5233 1 10 . 1 1 8 8 SER H H 8 8.773 8.773 8.414 0.359 19231 5234 1 10 . 1 1 9 9 VAL N N 9 124.896 124.896 122.635 2.261 19231 5235 1 10 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.390 -0.200 19231 5236 1 10 . 1 1 9 9 VAL C C 9 176.141 176.141 175.559 0.582 19231 5237 1 10 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.310 -0.012 19231 5238 1 10 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.389 1.374 19231 5239 1 10 . 1 1 9 9 VAL H H 9 8.874 8.874 8.863 0.011 19231 5240 1 10 . 1 1 10 10 GLY N N 10 117.992 117.992 117.938 0.054 19231 5241 1 10 . 1 1 10 10 GLY C C 10 174.785 174.785 174.863 -0.078 19231 5242 1 10 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.355 0.975 19231 5243 1 10 . 1 1 10 10 GLY H H 10 9.114 9.114 8.630 0.484 19231 5244 1 10 . 1 1 11 11 ASN N N 11 124.908 124.908 123.097 1.811 19231 5245 1 10 . 1 1 11 11 ASN HA H 11 4.688 4.688 5.003 -0.315 19231 5246 1 10 . 1 1 11 11 ASN C C 11 174.765 174.765 174.183 0.582 19231 5247 1 10 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.476 0.402 19231 5248 1 10 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.149 -1.872 19231 5249 1 10 . 1 1 11 11 ASN H H 11 8.609 8.609 8.600 0.009 19231 5250 1 10 . 1 1 12 12 LEU N N 12 123.550 123.550 121.604 1.946 19231 5251 1 10 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.144 0.271 19231 5252 1 10 . 1 1 12 12 LEU C C 12 175.653 175.653 175.446 0.207 19231 5253 1 10 . 1 1 12 12 LEU CA C 12 53.937 53.937 53.760 0.177 19231 5254 1 10 . 1 1 12 12 LEU CB C 12 44.438 44.438 43.208 1.230 19231 5255 1 10 . 1 1 12 12 LEU H H 12 8.256 8.256 7.358 0.898 19231 5256 1 10 . 1 1 13 13 ARG N N 13 124.719 124.719 124.781 -0.062 19231 5257 1 10 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.908 0.319 19231 5258 1 10 . 1 1 13 13 ARG C C 13 173.394 173.394 174.278 -0.884 19231 5259 1 10 . 1 1 13 13 ARG CA C 13 55.017 55.017 54.964 0.053 19231 5260 1 10 . 1 1 13 13 ARG CB C 13 34.507 34.507 33.465 1.042 19231 5261 1 10 . 1 1 13 13 ARG H H 13 9.169 9.169 8.357 0.812 19231 5262 1 10 . 1 1 14 14 LEU N N 14 127.743 127.743 128.004 -0.261 19231 5263 1 10 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.988 0.328 19231 5264 1 10 . 1 1 14 14 LEU C C 14 174.807 174.807 174.418 0.389 19231 5265 1 10 . 1 1 14 14 LEU CA C 14 53.816 53.816 54.030 -0.214 19231 5266 1 10 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.598 0.208 19231 5267 1 10 . 1 1 14 14 LEU H H 14 9.394 9.394 9.378 0.016 19231 5268 1 10 . 1 1 15 15 ASN N N 15 125.577 125.577 126.687 -1.110 19231 5269 1 10 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.264 0.143 19231 5270 1 10 . 1 1 15 15 ASN C C 15 175.621 175.621 175.910 -0.289 19231 5271 1 10 . 1 1 15 15 ASN CA C 15 52.044 52.044 51.996 0.048 19231 5272 1 10 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.022 1.045 19231 5273 1 10 . 1 1 15 15 ASN H H 15 9.520 9.520 9.020 0.500 19231 5274 1 10 . 1 1 16 16 VAL N N 16 123.478 123.478 125.256 -1.778 19231 5275 1 10 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.001 0.079 19231 5276 1 10 . 1 1 16 16 VAL C C 16 177.902 177.902 176.689 1.213 19231 5277 1 10 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.345 -0.931 19231 5278 1 10 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.321 0.883 19231 5279 1 10 . 1 1 16 16 VAL H H 16 8.759 8.759 8.393 0.366 19231 5280 1 10 . 1 1 17 17 THR N N 17 117.004 117.004 112.987 4.017 19231 5281 1 10 . 1 1 17 17 THR HA H 17 4.340 4.340 4.071 0.269 19231 5282 1 10 . 1 1 17 17 THR C C 17 176.177 176.177 176.443 -0.266 19231 5283 1 10 . 1 1 17 17 THR CA C 17 65.922 65.922 65.311 0.611 19231 5284 1 10 . 1 1 17 17 THR CB C 17 68.899 68.899 69.200 -0.301 19231 5285 1 10 . 1 1 17 17 THR H H 17 8.045 8.045 7.532 0.513 19231 5286 1 10 . 1 1 18 18 ARG N N 18 117.565 117.565 118.179 -0.614 19231 5287 1 10 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.346 -0.148 19231 5288 1 10 . 1 1 18 18 ARG C C 18 174.802 174.802 175.726 -0.924 19231 5289 1 10 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.952 -0.347 19231 5290 1 10 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.670 0.555 19231 5291 1 10 . 1 1 18 18 ARG H H 18 8.035 8.035 8.345 -0.310 19231 5292 1 10 . 1 1 19 19 ARG N N 19 117.471 117.471 116.436 1.035 19231 5293 1 10 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.436 0.478 19231 5294 1 10 . 1 1 19 19 ARG C C 19 174.359 174.359 174.335 0.024 19231 5295 1 10 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.783 -0.296 19231 5296 1 10 . 1 1 19 19 ARG CB C 19 26.248 26.248 26.603 -0.355 19231 5297 1 10 . 1 1 19 19 ARG H H 19 7.877 7.877 8.011 -0.134 19231 5298 1 10 . 1 1 20 20 LEU N N 20 118.701 118.701 118.750 -0.049 19231 5299 1 10 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.574 -0.044 19231 5300 1 10 . 1 1 20 20 LEU C C 20 174.619 174.619 174.094 0.525 19231 5301 1 10 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.480 -0.626 19231 5302 1 10 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.574 0.673 19231 5303 1 10 . 1 1 20 20 LEU H H 20 7.565 7.565 7.919 -0.354 19231 5304 1 10 . 1 1 21 21 VAL N N 21 120.636 120.636 118.015 2.621 19231 5305 1 10 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.145 0.052 19231 5306 1 10 . 1 1 21 21 VAL C C 21 174.036 174.036 175.029 -0.993 19231 5307 1 10 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.437 -0.566 19231 5308 1 10 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.318 0.130 19231 5309 1 10 . 1 1 21 21 VAL H H 21 8.466 8.466 8.196 0.270 19231 5310 1 10 . 1 1 22 22 TRP N N 22 126.709 126.709 126.854 -0.145 19231 5311 1 10 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.125 0.005 19231 5312 1 10 . 1 1 22 22 TRP C C 22 174.877 174.877 174.771 0.106 19231 5313 1 10 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.184 0.883 19231 5314 1 10 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.084 0.053 19231 5315 1 10 . 1 1 22 22 TRP H H 22 9.596 9.596 8.915 0.681 19231 5316 1 10 . 1 1 23 23 LEU N N 23 123.443 123.443 120.875 2.568 19231 5317 1 10 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.770 0.264 19231 5318 1 10 . 1 1 23 23 LEU C C 23 177.552 177.552 176.876 0.676 19231 5319 1 10 . 1 1 23 23 LEU CA C 23 53.427 53.427 54.579 -1.152 19231 5320 1 10 . 1 1 23 23 LEU CB C 23 43.922 43.922 44.963 -1.041 19231 5321 1 10 . 1 1 23 23 LEU H H 23 8.834 8.834 9.147 -0.313 19231 5322 1 10 . 1 1 24 24 GLY N N 24 117.546 117.546 116.963 0.583 19231 5323 1 10 . 1 1 24 24 GLY C C 24 174.915 174.915 175.117 -0.202 19231 5324 1 10 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.976 1.244 19231 5325 1 10 . 1 1 24 24 GLY H H 24 9.401 9.401 8.795 0.606 19231 5326 1 10 . 1 1 25 25 GLU N N 25 124.565 124.565 115.482 9.083 19231 5327 1 10 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.913 0.415 19231 5328 1 10 . 1 1 25 25 GLU C C 25 176.350 176.350 175.472 0.878 19231 5329 1 10 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.162 -1.762 19231 5330 1 10 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.518 0.293 19231 5331 1 10 . 1 1 25 25 GLU H H 25 9.051 9.051 8.894 0.157 19231 5332 1 10 . 1 1 26 26 THR N N 26 117.538 117.538 111.229 6.309 19231 5333 1 10 . 1 1 26 26 THR HA H 26 4.305 4.305 4.589 -0.284 19231 5334 1 10 . 1 1 26 26 THR C C 26 173.226 173.226 173.744 -0.518 19231 5335 1 10 . 1 1 26 26 THR CA C 26 62.118 62.118 60.721 1.397 19231 5336 1 10 . 1 1 26 26 THR CB C 26 70.399 70.399 70.716 -0.317 19231 5337 1 10 . 1 1 26 26 THR H H 26 8.140 8.140 7.574 0.566 19231 5338 1 10 . 1 1 27 27 ALA N N 27 131.183 131.183 128.226 2.957 19231 5339 1 10 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.889 0.201 19231 5340 1 10 . 1 1 27 27 ALA C C 27 177.483 177.483 176.807 0.676 19231 5341 1 10 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.259 0.175 19231 5342 1 10 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.793 -0.878 19231 5343 1 10 . 1 1 27 27 ALA H H 27 8.937 8.937 8.571 0.366 19231 5344 1 10 . 1 1 28 28 LEU N N 28 124.160 124.160 125.599 -1.439 19231 5345 1 10 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.314 0.022 19231 5346 1 10 . 1 1 28 28 LEU C C 28 176.114 176.114 176.131 -0.017 19231 5347 1 10 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.945 -1.339 19231 5348 1 10 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.318 0.004 19231 5349 1 10 . 1 1 28 28 LEU H H 28 8.663 8.663 8.055 0.608 19231 5350 1 10 . 1 1 29 29 ASP N N 29 124.715 124.715 127.626 -2.911 19231 5351 1 10 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.781 -0.071 19231 5352 1 10 . 1 1 29 29 ASP C C 29 174.721 174.721 175.277 -0.556 19231 5353 1 10 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.781 -0.457 19231 5354 1 10 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.168 0.168 19231 5355 1 10 . 1 1 29 29 ASP H H 29 8.690 8.690 8.545 0.145 19231 5356 1 10 . 1 1 30 30 LEU N N 30 123.472 123.472 120.799 2.673 19231 5357 1 10 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.858 -0.027 19231 5358 1 10 . 1 1 30 30 LEU C C 30 177.944 177.944 176.283 1.661 19231 5359 1 10 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.122 -0.185 19231 5360 1 10 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.456 -0.476 19231 5361 1 10 . 1 1 30 30 LEU H H 30 7.969 7.969 7.760 0.209 19231 5362 1 10 . 1 1 31 31 THR N N 31 115.969 115.969 111.374 4.595 19231 5363 1 10 . 1 1 31 31 THR HA H 31 4.700 4.700 4.417 0.283 19231 5364 1 10 . 1 1 31 31 THR C C 31 173.645 173.645 174.880 -1.235 19231 5365 1 10 . 1 1 31 31 THR CA C 31 60.704 60.704 60.246 0.458 19231 5366 1 10 . 1 1 31 31 THR CB C 31 67.869 67.869 68.758 -0.889 19231 5367 1 10 . 1 1 31 31 THR H H 31 8.864 8.864 8.277 0.587 19231 5368 1 10 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.057 0.223 19231 5369 1 10 . 1 1 32 32 PRO C C 32 178.657 178.657 178.387 0.270 19231 5370 1 10 . 1 1 32 32 PRO CA C 32 66.504 66.504 66.103 0.401 19231 5371 1 10 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.634 0.345 19231 5372 1 10 . 1 1 33 33 LYS N N 33 116.417 116.417 115.989 0.428 19231 5373 1 10 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.944 -0.020 19231 5374 1 10 . 1 1 33 33 LYS C C 33 178.084 178.084 178.758 -0.674 19231 5375 1 10 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.441 0.224 19231 5376 1 10 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.458 1.114 19231 5377 1 10 . 1 1 33 33 LYS H H 33 8.044 8.044 8.581 -0.537 19231 5378 1 10 . 1 1 34 34 GLU N N 34 118.272 118.272 119.408 -1.136 19231 5379 1 10 . 1 1 34 34 GLU HA H 34 3.620 3.620 4.005 -0.385 19231 5380 1 10 . 1 1 34 34 GLU C C 34 178.512 178.512 178.755 -0.243 19231 5381 1 10 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.963 0.581 19231 5382 1 10 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.268 1.253 19231 5383 1 10 . 1 1 34 34 GLU H H 34 7.376 7.376 7.939 -0.563 19231 5384 1 10 . 1 1 35 35 TYR N N 35 118.351 118.351 119.931 -1.580 19231 5385 1 10 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.114 -0.417 19231 5386 1 10 . 1 1 35 35 TYR C C 35 177.597 177.597 176.845 0.752 19231 5387 1 10 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.179 1.122 19231 5388 1 10 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.082 -0.148 19231 5389 1 10 . 1 1 35 35 TYR H H 35 8.950 8.950 7.612 1.338 19231 5390 1 10 . 1 1 36 36 ALA N N 36 123.913 123.913 122.570 1.343 19231 5391 1 10 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.149 -0.406 19231 5392 1 10 . 1 1 36 36 ALA C C 36 180.061 180.061 179.198 0.863 19231 5393 1 10 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.603 0.810 19231 5394 1 10 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.407 -0.345 19231 5395 1 10 . 1 1 36 36 ALA H H 36 8.147 8.147 7.572 0.575 19231 5396 1 10 . 1 1 37 37 LEU N N 37 116.924 116.924 119.915 -2.991 19231 5397 1 10 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.292 -0.382 19231 5398 1 10 . 1 1 37 37 LEU C C 37 177.760 177.760 179.363 -1.603 19231 5399 1 10 . 1 1 37 37 LEU CA C 37 57.336 57.336 58.083 -0.747 19231 5400 1 10 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.575 1.468 19231 5401 1 10 . 1 1 37 37 LEU H H 37 7.651 7.651 7.532 0.119 19231 5402 1 10 . 1 1 38 38 LEU N N 38 118.232 118.232 119.557 -1.325 19231 5403 1 10 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.872 -0.002 19231 5404 1 10 . 1 1 38 38 LEU C C 38 178.524 178.524 177.999 0.525 19231 5405 1 10 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.124 -0.727 19231 5406 1 10 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.569 -0.440 19231 5407 1 10 . 1 1 38 38 LEU H H 38 8.550 8.550 8.657 -0.107 19231 5408 1 10 . 1 1 39 39 SER N N 39 113.045 113.045 114.578 -1.533 19231 5409 1 10 . 1 1 39 39 SER HA H 39 3.700 3.700 3.886 -0.186 19231 5410 1 10 . 1 1 39 39 SER C C 39 175.854 175.854 176.836 -0.982 19231 5411 1 10 . 1 1 39 39 SER CA C 39 62.126 62.126 61.138 0.988 19231 5412 1 10 . 1 1 39 39 SER CB C 39 68.227 68.227 62.684 5.543 19231 5413 1 10 . 1 1 39 39 SER H H 39 8.540 8.540 8.229 0.311 19231 5414 1 10 . 1 1 40 40 ARG N N 40 121.521 121.521 122.014 -0.493 19231 5415 1 10 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.257 -0.247 19231 5416 1 10 . 1 1 40 40 ARG C C 40 178.731 178.731 178.078 0.653 19231 5417 1 10 . 1 1 40 40 ARG CA C 40 58.311 58.311 57.697 0.614 19231 5418 1 10 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.657 -1.133 19231 5419 1 10 . 1 1 40 40 ARG H H 40 7.112 7.112 8.245 -1.133 19231 5420 1 10 . 1 1 41 41 LEU N N 41 115.939 115.939 119.979 -4.040 19231 5421 1 10 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.950 0.042 19231 5422 1 10 . 1 1 41 41 LEU C C 41 180.049 180.049 178.314 1.735 19231 5423 1 10 . 1 1 41 41 LEU CA C 41 57.836 57.836 57.736 0.100 19231 5424 1 10 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.714 0.302 19231 5425 1 10 . 1 1 41 41 LEU H H 41 7.960 7.960 7.424 0.536 19231 5426 1 10 . 1 1 42 42 MET N N 42 116.335 116.335 115.527 0.808 19231 5427 1 10 . 1 1 42 42 MET HA H 42 3.877 3.877 4.120 -0.243 19231 5428 1 10 . 1 1 42 42 MET C C 42 178.748 178.748 179.149 -0.401 19231 5429 1 10 . 1 1 42 42 MET CA C 42 59.530 59.530 57.552 1.978 19231 5430 1 10 . 1 1 42 42 MET CB C 42 33.449 33.449 32.148 1.302 19231 5431 1 10 . 1 1 42 42 MET H H 42 8.825 8.825 7.608 1.217 19231 5432 1 10 . 1 1 43 43 MET N N 43 119.000 119.000 118.731 0.269 19231 5433 1 10 . 1 1 43 43 MET HA H 43 4.137 4.137 4.184 -0.047 19231 5434 1 10 . 1 1 43 43 MET C C 43 176.813 176.813 177.761 -0.948 19231 5435 1 10 . 1 1 43 43 MET CA C 43 58.405 58.405 58.508 -0.103 19231 5436 1 10 . 1 1 43 43 MET CB C 43 32.382 32.382 32.505 -0.123 19231 5437 1 10 . 1 1 43 43 MET H H 43 8.250 8.250 7.505 0.745 19231 5438 1 10 . 1 1 44 44 LYS N N 44 117.715 117.715 116.988 0.727 19231 5439 1 10 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.577 0.054 19231 5440 1 10 . 1 1 44 44 LYS C C 44 175.226 175.226 175.229 -0.003 19231 5441 1 10 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.787 -1.961 19231 5442 1 10 . 1 1 44 44 LYS CB C 44 31.471 31.471 31.841 -0.370 19231 5443 1 10 . 1 1 44 44 LYS H H 44 7.088 7.088 7.475 -0.387 19231 5444 1 10 . 1 1 45 45 ALA N N 45 122.613 122.613 122.555 0.058 19231 5445 1 10 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.334 -0.015 19231 5446 1 10 . 1 1 45 45 ALA C C 45 178.994 178.994 177.524 1.470 19231 5447 1 10 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.447 1.227 19231 5448 1 10 . 1 1 45 45 ALA CB C 45 19.397 19.397 17.940 1.457 19231 5449 1 10 . 1 1 45 45 ALA H H 45 6.952 6.952 7.707 -0.755 19231 5450 1 10 . 1 1 46 46 GLY N N 46 109.561 109.561 111.709 -2.148 19231 5451 1 10 . 1 1 46 46 GLY C C 46 173.547 173.547 174.067 -0.520 19231 5452 1 10 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.141 0.325 19231 5453 1 10 . 1 1 46 46 GLY H H 46 8.944 8.944 8.345 0.599 19231 5454 1 10 . 1 1 47 47 SER N N 47 116.886 116.886 117.210 -0.324 19231 5455 1 10 . 1 1 47 47 SER HA H 47 5.130 5.130 5.054 0.076 19231 5456 1 10 . 1 1 47 47 SER C C 47 170.481 170.481 171.918 -1.437 19231 5457 1 10 . 1 1 47 47 SER CA C 47 55.988 55.988 55.471 0.517 19231 5458 1 10 . 1 1 47 47 SER CB C 47 65.098 65.098 64.467 0.631 19231 5459 1 10 . 1 1 47 47 SER H H 47 8.759 8.759 7.832 0.927 19231 5460 1 10 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.824 -0.406 19231 5461 1 10 . 1 1 48 48 PRO C C 48 175.854 175.854 176.361 -0.507 19231 5462 1 10 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.728 -0.282 19231 5463 1 10 . 1 1 48 48 PRO CB C 48 32.909 32.909 31.806 1.103 19231 5464 1 10 . 1 1 49 49 VAL N N 49 124.173 124.173 124.244 -0.071 19231 5465 1 10 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.293 0.118 19231 5466 1 10 . 1 1 49 49 VAL C C 49 175.186 175.186 175.721 -0.535 19231 5467 1 10 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.332 0.127 19231 5468 1 10 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.894 -0.398 19231 5469 1 10 . 1 1 49 49 VAL H H 49 9.235 9.235 8.871 0.364 19231 5470 1 10 . 1 1 50 50 HIS N N 50 128.035 128.035 125.548 2.487 19231 5471 1 10 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.313 -0.743 19231 5472 1 10 . 1 1 50 50 HIS C C 50 177.130 177.130 175.971 1.159 19231 5473 1 10 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.565 2.889 19231 5474 1 10 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.642 0.899 19231 5475 1 10 . 1 1 50 50 HIS H H 50 8.791 8.791 8.848 -0.057 19231 5476 1 10 . 1 1 51 51 ARG N N 51 125.631 125.631 125.675 -0.044 19231 5477 1 10 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.871 0.009 19231 5478 1 10 . 1 1 51 51 ARG C C 51 176.786 176.786 177.390 -0.604 19231 5479 1 10 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.090 0.989 19231 5480 1 10 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.702 0.448 19231 5481 1 10 . 1 1 51 51 ARG H H 51 8.544 8.544 8.484 0.060 19231 5482 1 10 . 1 1 52 52 GLU N N 52 120.964 120.964 120.200 0.764 19231 5483 1 10 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.940 0.140 19231 5484 1 10 . 1 1 52 52 GLU C C 52 179.334 179.334 178.471 0.863 19231 5485 1 10 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.684 1.085 19231 5486 1 10 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.939 0.289 19231 5487 1 10 . 1 1 52 52 GLU H H 52 10.831 10.831 7.366 3.465 19231 5488 1 10 . 1 1 53 53 ILE N N 53 119.337 119.337 119.448 -0.111 19231 5489 1 10 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.732 0.139 19231 5490 1 10 . 1 1 53 53 ILE C C 53 178.080 178.080 178.282 -0.202 19231 5491 1 10 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.460 -1.350 19231 5492 1 10 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.743 -0.247 19231 5493 1 10 . 1 1 53 53 ILE H H 53 7.239 7.239 7.658 -0.419 19231 5494 1 10 . 1 1 54 54 LEU N N 54 118.502 118.502 119.939 -1.437 19231 5495 1 10 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.151 0.009 19231 5496 1 10 . 1 1 54 54 LEU C C 54 178.676 178.676 179.827 -1.151 19231 5497 1 10 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.559 -0.485 19231 5498 1 10 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.398 -0.075 19231 5499 1 10 . 1 1 54 54 LEU H H 54 7.198 7.198 7.265 -0.067 19231 5500 1 10 . 1 1 55 55 TYR N N 55 117.114 117.114 120.373 -3.259 19231 5501 1 10 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.037 0.098 19231 5502 1 10 . 1 1 55 55 TYR C C 55 177.987 177.987 177.253 0.734 19231 5503 1 10 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.752 -0.615 19231 5504 1 10 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.179 -0.072 19231 5505 1 10 . 1 1 55 55 TYR H H 55 8.872 8.872 7.942 0.930 19231 5506 1 10 . 1 1 56 56 ASN N N 56 116.720 116.720 115.459 1.261 19231 5507 1 10 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.396 0.089 19231 5508 1 10 . 1 1 56 56 ASN C C 56 177.439 177.439 176.247 1.192 19231 5509 1 10 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.630 0.383 19231 5510 1 10 . 1 1 56 56 ASN CB C 56 38.290 38.290 37.897 0.393 19231 5511 1 10 . 1 1 56 56 ASN H H 56 7.796 7.796 7.824 -0.028 19231 5512 1 10 . 1 1 57 57 ASP N N 57 118.532 118.532 119.853 -1.321 19231 5513 1 10 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.339 0.201 19231 5514 1 10 . 1 1 57 57 ASP C C 57 177.886 177.886 177.115 0.771 19231 5515 1 10 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.385 0.701 19231 5516 1 10 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.793 0.087 19231 5517 1 10 . 1 1 57 57 ASP H H 57 7.842 7.842 8.130 -0.288 19231 5518 1 10 . 1 1 58 58 ILE N N 58 109.975 109.975 116.365 -6.390 19231 5519 1 10 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.796 0.504 19231 5520 1 10 . 1 1 58 58 ILE C C 58 175.916 175.916 175.642 0.274 19231 5521 1 10 . 1 1 58 58 ILE CA C 58 61.340 61.340 61.542 -0.202 19231 5522 1 10 . 1 1 58 58 ILE CB C 58 38.830 38.830 39.090 -0.260 19231 5523 1 10 . 1 1 58 58 ILE H H 58 7.277 7.277 7.159 0.118 19231 5524 1 10 . 1 1 59 59 TYR N N 59 122.761 122.761 120.996 1.765 19231 5525 1 10 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.333 -0.037 19231 5526 1 10 . 1 1 59 59 TYR C C 59 176.037 176.037 175.132 0.905 19231 5527 1 10 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.495 2.675 19231 5528 1 10 . 1 1 59 59 TYR CB C 59 38.277 38.277 36.497 1.780 19231 5529 1 10 . 1 1 59 59 TYR H H 59 7.788 7.788 8.102 -0.314 19231 5530 1 10 . 1 1 60 60 SER N N 60 117.350 117.350 122.211 -4.861 19231 5531 1 10 . 1 1 60 60 SER HA H 60 4.292 4.292 3.560 0.732 19231 5532 1 10 . 1 1 60 60 SER C C 60 174.206 174.206 173.591 0.615 19231 5533 1 10 . 1 1 60 60 SER CA C 60 57.976 57.976 58.495 -0.519 19231 5534 1 10 . 1 1 60 60 SER CB C 60 63.884 63.884 61.692 2.192 19231 5535 1 10 . 1 1 60 60 SER H H 60 7.721 7.721 8.723 -1.002 19231 5536 1 10 . 1 1 61 61 TRP N N 61 122.170 122.170 119.439 2.731 19231 5537 1 10 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.353 0.124 19231 5538 1 10 . 1 1 61 61 TRP C C 61 175.798 175.798 175.925 -0.127 19231 5539 1 10 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.059 0.805 19231 5540 1 10 . 1 1 61 61 TRP CB C 61 28.826 28.826 26.064 2.762 19231 5541 1 10 . 1 1 61 61 TRP H H 61 7.990 7.990 8.145 -0.155 19231 5542 1 10 . 1 1 62 62 ASP N N 62 119.118 119.118 120.701 -1.583 19231 5543 1 10 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.527 -0.087 19231 5544 1 10 . 1 1 62 62 ASP C C 62 175.559 175.559 177.591 -2.032 19231 5545 1 10 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.470 -1.659 19231 5546 1 10 . 1 1 62 62 ASP CB C 62 40.716 40.716 41.264 -0.548 19231 5547 1 10 . 1 1 62 62 ASP H H 62 7.900 7.900 8.206 -0.306 19231 5548 1 10 . 1 1 63 63 ASN N N 63 117.586 117.586 117.838 -0.252 19231 5549 1 10 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.710 -0.164 19231 5550 1 10 . 1 1 63 63 ASN C C 63 174.737 174.737 175.092 -0.355 19231 5551 1 10 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.575 -0.417 19231 5552 1 10 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.590 0.153 19231 5553 1 10 . 1 1 63 63 ASN H H 63 8.080 8.080 8.590 -0.510 19231 5554 1 10 . 1 1 64 64 GLU N N 64 121.831 121.831 120.155 1.676 19231 5555 1 10 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.188 0.393 19231 5556 1 10 . 1 1 64 64 GLU C C 64 174.706 174.706 174.252 0.454 19231 5557 1 10 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.669 -0.909 19231 5558 1 10 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.388 0.441 19231 5559 1 10 . 1 1 64 64 GLU H H 64 8.224 8.224 8.706 -0.482 19231 5560 1 10 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.346 0.048 19231 5561 1 10 . 1 1 65 65 PRO C C 65 177.312 177.312 176.698 0.614 19231 5562 1 10 . 1 1 65 65 PRO CA C 65 63.824 63.824 63.254 0.570 19231 5563 1 10 . 1 1 65 65 PRO CB C 65 31.871 31.871 32.101 -0.230 19231 5564 1 10 . 1 1 66 66 ALA N N 66 122.755 122.755 124.241 -1.486 19231 5565 1 10 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.235 0.115 19231 5566 1 10 . 1 1 66 66 ALA C C 66 178.352 178.352 177.786 0.566 19231 5567 1 10 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.187 -0.339 19231 5568 1 10 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.713 -0.627 19231 5569 1 10 . 1 1 66 66 ALA H H 66 8.465 8.465 8.481 -0.016 19231 5570 1 10 . 1 1 67 67 THR N N 67 111.079 111.079 109.941 1.138 19231 5571 1 10 . 1 1 67 67 THR HA H 67 4.287 4.287 4.255 0.032 19231 5572 1 10 . 1 1 67 67 THR C C 67 175.040 175.040 173.164 1.876 19231 5573 1 10 . 1 1 67 67 THR CA C 67 62.505 62.505 61.939 0.566 19231 5574 1 10 . 1 1 67 67 THR CB C 67 69.187 69.187 69.252 -0.065 19231 5575 1 10 . 1 1 67 67 THR H H 67 8.002 8.002 7.472 0.530 19231 5576 1 10 . 1 1 68 68 ASN N N 68 120.768 120.768 120.865 -0.097 19231 5577 1 10 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.402 0.577 19231 5578 1 10 . 1 1 68 68 ASN C C 68 175.250 175.250 173.816 1.434 19231 5579 1 10 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.080 -1.044 19231 5580 1 10 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.217 0.461 19231 5581 1 10 . 1 1 68 68 ASN H H 68 8.280 8.280 8.908 -0.628 19231 5582 1 10 . 1 1 69 69 THR N N 69 112.288 112.288 111.769 0.519 19231 5583 1 10 . 1 1 69 69 THR HA H 69 4.480 4.480 4.337 0.143 19231 5584 1 10 . 1 1 69 69 THR C C 69 175.830 175.830 175.213 0.617 19231 5585 1 10 . 1 1 69 69 THR CA C 69 62.328 62.328 62.771 -0.443 19231 5586 1 10 . 1 1 69 69 THR CB C 69 69.927 69.927 68.851 1.076 19231 5587 1 10 . 1 1 69 69 THR H H 69 7.691 7.691 7.608 0.083 19231 5588 1 10 . 1 1 70 70 LEU N N 70 123.384 123.384 121.114 2.270 19231 5589 1 10 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.248 -0.168 19231 5590 1 10 . 1 1 70 70 LEU C C 70 177.457 177.457 178.197 -0.740 19231 5591 1 10 . 1 1 70 70 LEU CA C 70 58.608 58.608 57.868 0.740 19231 5592 1 10 . 1 1 70 70 LEU CB C 70 41.494 41.494 40.664 0.830 19231 5593 1 10 . 1 1 70 70 LEU H H 70 8.843 8.843 8.004 0.839 19231 5594 1 10 . 1 1 71 71 GLU N N 71 116.878 116.878 119.381 -2.503 19231 5595 1 10 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.044 -0.339 19231 5596 1 10 . 1 1 71 71 GLU C C 71 179.305 179.305 179.139 0.166 19231 5597 1 10 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.419 1.752 19231 5598 1 10 . 1 1 71 71 GLU CB C 71 28.828 28.828 28.984 -0.156 19231 5599 1 10 . 1 1 71 71 GLU H H 71 8.652 8.652 8.684 -0.032 19231 5600 1 10 . 1 1 72 72 VAL N N 72 121.419 121.419 119.192 2.227 19231 5601 1 10 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.726 -0.041 19231 5602 1 10 . 1 1 72 72 VAL C C 72 177.680 177.680 178.035 -0.355 19231 5603 1 10 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.255 -0.144 19231 5604 1 10 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.799 -0.332 19231 5605 1 10 . 1 1 72 72 VAL H H 72 7.559 7.559 7.378 0.181 19231 5606 1 10 . 1 1 73 73 HIS N N 73 118.272 118.272 119.101 -0.829 19231 5607 1 10 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.278 0.182 19231 5608 1 10 . 1 1 73 73 HIS C C 73 178.616 178.616 177.930 0.686 19231 5609 1 10 . 1 1 73 73 HIS CA C 73 60.206 60.206 60.395 -0.189 19231 5610 1 10 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.153 2.116 19231 5611 1 10 . 1 1 73 73 HIS H H 73 7.420 7.420 7.850 -0.430 19231 5612 1 10 . 1 1 74 74 ILE N N 74 118.940 118.940 119.828 -0.888 19231 5613 1 10 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.638 -0.068 19231 5614 1 10 . 1 1 74 74 ILE C C 74 177.819 177.819 177.432 0.387 19231 5615 1 10 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.406 -3.463 19231 5616 1 10 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.694 -3.419 19231 5617 1 10 . 1 1 74 74 ILE H H 74 8.515 8.515 7.825 0.690 19231 5618 1 10 . 1 1 75 75 HIS N N 75 120.484 120.484 120.083 0.401 19231 5619 1 10 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.167 0.103 19231 5620 1 10 . 1 1 75 75 HIS C C 75 177.445 177.445 177.434 0.011 19231 5621 1 10 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.669 -0.553 19231 5622 1 10 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.869 -1.058 19231 5623 1 10 . 1 1 75 75 HIS H H 75 8.189 8.189 8.050 0.139 19231 5624 1 10 . 1 1 76 76 ASN N N 76 119.098 119.098 117.626 1.472 19231 5625 1 10 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.545 -0.156 19231 5626 1 10 . 1 1 76 76 ASN C C 76 178.615 178.615 177.762 0.853 19231 5627 1 10 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.746 -0.241 19231 5628 1 10 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.268 -0.959 19231 5629 1 10 . 1 1 76 76 ASN H H 76 8.456 8.456 8.112 0.344 19231 5630 1 10 . 1 1 77 77 LEU N N 77 120.517 120.517 122.663 -2.146 19231 5631 1 10 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.375 -0.424 19231 5632 1 10 . 1 1 77 77 LEU C C 77 178.945 178.945 178.345 0.600 19231 5633 1 10 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.602 0.394 19231 5634 1 10 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.619 1.487 19231 5635 1 10 . 1 1 77 77 LEU H H 77 8.579 8.579 8.393 0.186 19231 5636 1 10 . 1 1 78 78 ARG N N 78 119.521 119.521 119.905 -0.384 19231 5637 1 10 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.795 -0.135 19231 5638 1 10 . 1 1 78 78 ARG C C 78 178.766 178.766 178.365 0.401 19231 5639 1 10 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.880 -0.445 19231 5640 1 10 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.030 0.804 19231 5641 1 10 . 1 1 78 78 ARG H H 78 8.687 8.687 8.788 -0.101 19231 5642 1 10 . 1 1 79 79 GLU N N 79 116.882 116.882 116.300 0.582 19231 5643 1 10 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.070 -0.141 19231 5644 1 10 . 1 1 79 79 GLU C C 79 178.226 178.226 178.614 -0.388 19231 5645 1 10 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.656 0.010 19231 5646 1 10 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.052 0.499 19231 5647 1 10 . 1 1 79 79 GLU H H 79 7.717 7.717 7.701 0.016 19231 5648 1 10 . 1 1 80 80 LYS N N 80 116.574 116.574 117.848 -1.274 19231 5649 1 10 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.120 0.132 19231 5650 1 10 . 1 1 80 80 LYS C C 80 178.413 178.413 178.892 -0.479 19231 5651 1 10 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.354 0.707 19231 5652 1 10 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.965 1.473 19231 5653 1 10 . 1 1 80 80 LYS H H 80 7.419 7.419 7.640 -0.221 19231 5654 1 10 . 1 1 81 81 ILE N N 81 108.393 108.393 111.932 -3.539 19231 5655 1 10 . 1 1 81 81 ILE HA H 81 4.684 4.684 3.964 0.720 19231 5656 1 10 . 1 1 81 81 ILE C C 81 174.986 174.986 176.504 -1.518 19231 5657 1 10 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.786 -0.640 19231 5658 1 10 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.311 0.901 19231 5659 1 10 . 1 1 81 81 ILE H H 81 8.162 8.162 7.686 0.476 19231 5660 1 10 . 1 1 82 82 GLY N N 82 113.636 113.636 109.712 3.924 19231 5661 1 10 . 1 1 82 82 GLY C C 82 175.419 175.419 175.049 0.370 19231 5662 1 10 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.894 -0.038 19231 5663 1 10 . 1 1 82 82 GLY H H 82 7.852 7.852 7.834 0.018 19231 5664 1 10 . 1 1 83 83 LYS N N 83 125.732 125.732 121.831 3.901 19231 5665 1 10 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.924 -0.194 19231 5666 1 10 . 1 1 83 83 LYS C C 83 178.177 178.177 178.268 -0.091 19231 5667 1 10 . 1 1 83 83 LYS CA C 83 59.922 59.922 59.022 0.900 19231 5668 1 10 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.760 0.606 19231 5669 1 10 . 1 1 83 83 LYS H H 83 8.511 8.511 7.980 0.531 19231 5670 1 10 . 1 1 84 84 SER N N 84 110.852 110.852 116.788 -5.936 19231 5671 1 10 . 1 1 84 84 SER HA H 84 4.346 4.346 4.206 0.140 19231 5672 1 10 . 1 1 84 84 SER C C 84 175.008 175.008 175.780 -0.772 19231 5673 1 10 . 1 1 84 84 SER CA C 84 58.935 58.935 60.918 -1.983 19231 5674 1 10 . 1 1 84 84 SER CB C 84 63.140 63.140 62.537 0.603 19231 5675 1 10 . 1 1 84 84 SER H H 84 8.438 8.438 8.207 0.231 19231 5676 1 10 . 1 1 85 85 ARG N N 85 118.561 118.561 120.096 -1.535 19231 5677 1 10 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.420 -0.190 19231 5678 1 10 . 1 1 85 85 ARG C C 85 176.208 176.208 174.891 1.317 19231 5679 1 10 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.694 1.462 19231 5680 1 10 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.214 0.174 19231 5681 1 10 . 1 1 85 85 ARG H H 85 7.656 7.656 7.781 -0.125 19231 5682 1 10 . 1 1 86 86 ILE N N 86 113.200 113.200 117.446 -4.246 19231 5683 1 10 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.310 0.585 19231 5684 1 10 . 1 1 86 86 ILE C C 86 175.573 175.573 174.741 0.832 19231 5685 1 10 . 1 1 86 86 ILE CA C 86 59.461 59.461 60.123 -0.662 19231 5686 1 10 . 1 1 86 86 ILE CB C 86 39.188 39.188 42.184 -2.996 19231 5687 1 10 . 1 1 86 86 ILE H H 86 6.880 6.880 7.822 -0.942 19231 5688 1 10 . 1 1 87 87 ARG N N 87 128.727 128.727 122.809 5.918 19231 5689 1 10 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.773 0.024 19231 5690 1 10 . 1 1 87 87 ARG C C 87 176.501 176.501 174.739 1.762 19231 5691 1 10 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.896 -1.232 19231 5692 1 10 . 1 1 87 87 ARG CB C 87 32.011 32.011 34.041 -2.030 19231 5693 1 10 . 1 1 87 87 ARG H H 87 9.786 9.786 8.326 1.460 19231 5694 1 10 . 1 1 88 88 THR N N 88 122.821 122.821 116.357 6.464 19231 5695 1 10 . 1 1 88 88 THR HA H 88 4.138 4.138 4.115 0.023 19231 5696 1 10 . 1 1 88 88 THR C C 88 173.802 173.802 174.424 -0.622 19231 5697 1 10 . 1 1 88 88 THR CA C 88 63.514 63.514 60.926 2.588 19231 5698 1 10 . 1 1 88 88 THR CB C 88 68.908 68.908 69.638 -0.730 19231 5699 1 10 . 1 1 88 88 THR H H 88 9.421 9.421 8.340 1.081 19231 5700 1 10 . 1 1 89 89 VAL N N 89 130.400 130.400 125.212 5.188 19231 5701 1 10 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.163 0.017 19231 5702 1 10 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.344 0.034 19231 5703 1 10 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.332 -1.446 19231 5704 1 10 . 1 1 89 89 VAL H H 89 8.400 8.400 8.172 0.228 19231 5705 1 10 . 1 1 91 91 GLY C C 91 173.530 173.530 173.858 -0.328 19231 5706 1 10 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.955 -0.429 19231 5707 1 10 . 1 1 92 92 PHE N N 92 119.601 119.601 119.327 0.274 19231 5708 1 10 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.695 -0.254 19231 5709 1 10 . 1 1 92 92 PHE C C 92 174.744 174.744 174.382 0.362 19231 5710 1 10 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.678 1.377 19231 5711 1 10 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.380 3.053 19231 5712 1 10 . 1 1 92 92 PHE H H 92 8.332 8.332 7.707 0.625 19231 5713 1 10 . 1 1 93 93 GLY N N 93 105.445 105.445 106.087 -0.642 19231 5714 1 10 . 1 1 93 93 GLY C C 93 171.776 171.776 172.777 -1.001 19231 5715 1 10 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.024 2.691 19231 5716 1 10 . 1 1 93 93 GLY H H 93 8.377 8.377 7.730 0.647 19231 5717 1 10 . 1 1 94 94 TYR N N 94 122.471 122.471 116.362 6.109 19231 5718 1 10 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.765 0.665 19231 5719 1 10 . 1 1 94 94 TYR C C 94 172.889 172.889 173.999 -1.110 19231 5720 1 10 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.829 -0.460 19231 5721 1 10 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.927 0.125 19231 5722 1 10 . 1 1 94 94 TYR H H 94 8.475 8.475 8.096 0.379 19231 5723 1 10 . 1 1 95 95 MET N N 95 118.643 118.643 120.245 -1.602 19231 5724 1 10 . 1 1 95 95 MET HA H 95 4.890 4.890 4.859 0.031 19231 5725 1 10 . 1 1 95 95 MET C C 95 173.438 173.438 173.666 -0.228 19231 5726 1 10 . 1 1 95 95 MET CA C 95 54.125 54.125 54.796 -0.671 19231 5727 1 10 . 1 1 95 95 MET CB C 95 39.364 39.364 36.626 2.738 19231 5728 1 10 . 1 1 95 95 MET H H 95 8.936 8.936 8.432 0.504 19231 5729 1 10 . 1 1 96 96 LEU N N 96 130.194 130.194 126.283 3.911 19231 5730 1 10 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.469 0.611 19231 5731 1 10 . 1 1 96 96 LEU C C 96 174.912 174.912 176.469 -1.557 19231 5732 1 10 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.157 -0.675 19231 5733 1 10 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.528 1.228 19231 5734 1 10 . 1 1 96 96 LEU H H 96 9.848 9.848 8.796 1.052 19231 5735 1 10 . 1 1 97 97 ALA N N 97 131.168 131.168 126.003 5.165 19231 5736 1 10 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.116 0.220 19231 5737 1 10 . 1 1 97 97 ALA C C 97 176.560 176.560 177.694 -1.134 19231 5738 1 10 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.708 -0.813 19231 5739 1 10 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.145 0.866 19231 5740 1 10 . 1 1 97 97 ALA H H 97 8.681 8.681 8.636 0.045 19231 5741 1 10 . 1 1 98 98 ASN N N 98 118.268 118.268 124.887 -6.619 19231 5742 1 10 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.499 0.181 19231 5743 1 10 . 1 1 98 98 ASN C C 98 174.939 174.939 175.051 -0.112 19231 5744 1 10 . 1 1 98 98 ASN CA C 98 52.429 52.429 53.267 -0.837 19231 5745 1 10 . 1 1 98 98 ASN CB C 98 38.912 38.912 37.602 1.310 19231 5746 1 10 . 1 1 98 98 ASN H H 98 8.654 8.654 8.683 -0.029 19231 5747 1 10 . 1 1 99 99 ASN N N 99 117.488 117.488 117.956 -0.468 19231 5748 1 10 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.369 0.431 19231 5749 1 10 . 1 1 99 99 ASN C C 99 174.744 174.744 175.050 -0.306 19231 5750 1 10 . 1 1 99 99 ASN CA C 99 53.048 53.048 54.017 -0.969 19231 5751 1 10 . 1 1 99 99 ASN CB C 99 39.039 39.039 37.985 1.054 19231 5752 1 10 . 1 1 99 99 ASN H H 99 8.131 8.131 8.785 -0.654 19231 5753 1 10 . 1 1 100 100 ILE N N 100 118.881 118.881 116.042 2.839 19231 5754 1 10 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.925 0.315 19231 5755 1 10 . 1 1 100 100 ILE C C 100 175.769 175.769 176.353 -0.584 19231 5756 1 10 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.407 -1.403 19231 5757 1 10 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.105 1.574 19231 5758 1 10 . 1 1 100 100 ILE H H 100 8.139 8.139 8.259 -0.120 19231 5759 1 10 . 1 1 101 101 ASP N N 101 123.516 123.516 118.760 4.756 19231 5760 1 10 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.404 0.316 19231 5761 1 10 . 1 1 101 101 ASP C C 101 176.210 176.210 176.530 -0.320 19231 5762 1 10 . 1 1 101 101 ASP CA C 101 54.513 54.513 55.341 -0.828 19231 5763 1 10 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.952 0.269 19231 5764 1 10 . 1 1 101 101 ASP H H 101 8.426 8.426 8.196 0.230 19231 5765 1 10 . 1 1 102 102 THR N N 102 113.358 113.358 113.978 -0.620 19231 5766 1 10 . 1 1 102 102 THR HA H 102 4.360 4.360 4.280 0.080 19231 5767 1 10 . 1 1 102 102 THR C C 102 173.733 173.733 174.640 -0.907 19231 5768 1 10 . 1 1 102 102 THR CA C 102 61.477 61.477 62.238 -0.761 19231 5769 1 10 . 1 1 102 102 THR CB C 102 69.788 69.788 69.616 0.172 19231 5770 1 10 . 1 1 102 102 THR H H 102 8.045 8.045 7.467 0.578 19231 5771 1 11 . 1 1 2 2 GLN N N 2 121.990 121.990 121.936 0.054 19231 5772 1 11 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.477 -0.140 19231 5773 1 11 . 1 1 2 2 GLN C C 2 176.320 176.320 175.923 0.397 19231 5774 1 11 . 1 1 2 2 GLN CA C 2 56.295 56.295 55.710 0.585 19231 5775 1 11 . 1 1 2 2 GLN CB C 2 29.270 29.270 29.182 0.088 19231 5776 1 11 . 1 1 2 2 GLN H H 2 8.705 8.705 8.965 -0.260 19231 5777 1 11 . 1 1 3 3 GLY N N 3 110.481 110.481 109.798 0.683 19231 5778 1 11 . 1 1 3 3 GLY C C 3 174.116 174.116 173.899 0.217 19231 5779 1 11 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.163 -0.048 19231 5780 1 11 . 1 1 3 3 GLY H H 3 8.540 8.540 8.264 0.276 19231 5781 1 11 . 1 1 4 4 ASP N N 4 120.750 120.750 118.310 2.440 19231 5782 1 11 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.405 0.236 19231 5783 1 11 . 1 1 4 4 ASP C C 4 175.974 175.974 175.482 0.492 19231 5784 1 11 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.716 0.740 19231 5785 1 11 . 1 1 4 4 ASP CB C 4 41.190 41.190 41.520 -0.330 19231 5786 1 11 . 1 1 4 4 ASP H H 4 8.251 8.251 8.051 0.200 19231 5787 1 11 . 1 1 5 5 ASN N N 5 118.421 118.421 119.555 -1.134 19231 5788 1 11 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.830 -0.069 19231 5789 1 11 . 1 1 5 5 ASN C C 5 174.017 174.017 172.682 1.335 19231 5790 1 11 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.274 0.080 19231 5791 1 11 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.114 -1.178 19231 5792 1 11 . 1 1 5 5 ASN H H 5 8.513 8.513 8.626 -0.113 19231 5793 1 11 . 1 1 6 6 GLU N N 6 120.905 120.905 120.008 0.897 19231 5794 1 11 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.836 0.636 19231 5795 1 11 . 1 1 6 6 GLU C C 6 175.808 175.808 173.974 1.834 19231 5796 1 11 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.489 -0.394 19231 5797 1 11 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.141 -0.128 19231 5798 1 11 . 1 1 6 6 GLU H H 6 8.116 8.116 8.078 0.038 19231 5799 1 11 . 1 1 7 7 ILE N N 7 122.567 122.567 114.922 7.645 19231 5800 1 11 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.756 -0.222 19231 5801 1 11 . 1 1 7 7 ILE C C 7 174.653 174.653 174.114 0.539 19231 5802 1 11 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.798 0.315 19231 5803 1 11 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.649 -0.307 19231 5804 1 11 . 1 1 7 7 ILE H H 7 8.966 8.966 8.686 0.280 19231 5805 1 11 . 1 1 8 8 SER N N 8 120.446 120.446 117.732 2.714 19231 5806 1 11 . 1 1 8 8 SER HA H 8 5.536 5.536 5.511 0.025 19231 5807 1 11 . 1 1 8 8 SER C C 8 174.082 174.082 173.713 0.369 19231 5808 1 11 . 1 1 8 8 SER CA C 8 57.050 57.050 57.178 -0.128 19231 5809 1 11 . 1 1 8 8 SER CB C 8 65.470 65.470 65.750 -0.280 19231 5810 1 11 . 1 1 8 8 SER H H 8 8.773 8.773 8.387 0.386 19231 5811 1 11 . 1 1 9 9 VAL N N 9 124.896 124.896 123.596 1.300 19231 5812 1 11 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.350 -0.160 19231 5813 1 11 . 1 1 9 9 VAL C C 9 176.141 176.141 176.250 -0.109 19231 5814 1 11 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.519 -0.221 19231 5815 1 11 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.232 1.531 19231 5816 1 11 . 1 1 9 9 VAL H H 9 8.874 8.874 8.896 -0.022 19231 5817 1 11 . 1 1 10 10 GLY N N 10 117.992 117.992 117.198 0.794 19231 5818 1 11 . 1 1 10 10 GLY C C 10 174.785 174.785 174.089 0.696 19231 5819 1 11 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.953 0.378 19231 5820 1 11 . 1 1 10 10 GLY H H 10 9.114 9.114 8.825 0.289 19231 5821 1 11 . 1 1 11 11 ASN N N 11 124.908 124.908 121.575 3.333 19231 5822 1 11 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.852 -0.164 19231 5823 1 11 . 1 1 11 11 ASN C C 11 174.765 174.765 175.056 -0.291 19231 5824 1 11 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.646 0.232 19231 5825 1 11 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.076 -1.799 19231 5826 1 11 . 1 1 11 11 ASN H H 11 8.609 8.609 8.383 0.226 19231 5827 1 11 . 1 1 12 12 LEU N N 12 123.550 123.550 123.316 0.234 19231 5828 1 11 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.062 0.353 19231 5829 1 11 . 1 1 12 12 LEU C C 12 175.653 175.653 176.072 -0.419 19231 5830 1 11 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.574 -0.637 19231 5831 1 11 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.597 1.841 19231 5832 1 11 . 1 1 12 12 LEU H H 12 8.256 8.256 7.582 0.674 19231 5833 1 11 . 1 1 13 13 ARG N N 13 124.719 124.719 124.808 -0.089 19231 5834 1 11 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.883 0.344 19231 5835 1 11 . 1 1 13 13 ARG C C 13 173.394 173.394 175.053 -1.659 19231 5836 1 11 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.322 -0.305 19231 5837 1 11 . 1 1 13 13 ARG CB C 13 34.507 34.507 31.721 2.786 19231 5838 1 11 . 1 1 13 13 ARG H H 13 9.169 9.169 8.307 0.862 19231 5839 1 11 . 1 1 14 14 LEU N N 14 127.743 127.743 125.979 1.764 19231 5840 1 11 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.718 0.598 19231 5841 1 11 . 1 1 14 14 LEU C C 14 174.807 174.807 175.700 -0.893 19231 5842 1 11 . 1 1 14 14 LEU CA C 14 53.816 53.816 54.248 -0.432 19231 5843 1 11 . 1 1 14 14 LEU CB C 14 45.806 45.806 43.933 1.873 19231 5844 1 11 . 1 1 14 14 LEU H H 14 9.394 9.394 9.167 0.227 19231 5845 1 11 . 1 1 15 15 ASN N N 15 125.577 125.577 122.294 3.283 19231 5846 1 11 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.249 0.158 19231 5847 1 11 . 1 1 15 15 ASN C C 15 175.621 175.621 175.899 -0.278 19231 5848 1 11 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.642 -0.598 19231 5849 1 11 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.681 0.386 19231 5850 1 11 . 1 1 15 15 ASN H H 15 9.520 9.520 8.405 1.115 19231 5851 1 11 . 1 1 16 16 VAL N N 16 123.478 123.478 125.549 -2.071 19231 5852 1 11 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.838 0.242 19231 5853 1 11 . 1 1 16 16 VAL C C 16 177.902 177.902 177.159 0.743 19231 5854 1 11 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.822 -1.408 19231 5855 1 11 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.017 0.187 19231 5856 1 11 . 1 1 16 16 VAL H H 16 8.759 8.759 8.377 0.382 19231 5857 1 11 . 1 1 17 17 THR N N 17 117.004 117.004 115.559 1.445 19231 5858 1 11 . 1 1 17 17 THR HA H 17 4.340 4.340 4.052 0.288 19231 5859 1 11 . 1 1 17 17 THR C C 17 176.177 176.177 176.154 0.023 19231 5860 1 11 . 1 1 17 17 THR CA C 17 65.922 65.922 65.268 0.654 19231 5861 1 11 . 1 1 17 17 THR CB C 17 68.899 68.899 69.115 -0.216 19231 5862 1 11 . 1 1 17 17 THR H H 17 8.045 8.045 7.734 0.311 19231 5863 1 11 . 1 1 18 18 ARG N N 18 117.565 117.565 118.411 -0.846 19231 5864 1 11 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.412 -0.214 19231 5865 1 11 . 1 1 18 18 ARG C C 18 174.802 174.802 175.435 -0.633 19231 5866 1 11 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.644 -0.039 19231 5867 1 11 . 1 1 18 18 ARG CB C 18 31.225 31.225 31.036 0.189 19231 5868 1 11 . 1 1 18 18 ARG H H 18 8.035 8.035 8.253 -0.218 19231 5869 1 11 . 1 1 19 19 ARG N N 19 117.471 117.471 120.080 -2.609 19231 5870 1 11 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.343 0.571 19231 5871 1 11 . 1 1 19 19 ARG C C 19 174.359 174.359 174.021 0.338 19231 5872 1 11 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.778 -0.291 19231 5873 1 11 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.680 -1.432 19231 5874 1 11 . 1 1 19 19 ARG H H 19 7.877 7.877 7.920 -0.043 19231 5875 1 11 . 1 1 20 20 LEU N N 20 118.701 118.701 122.589 -3.888 19231 5876 1 11 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.374 0.156 19231 5877 1 11 . 1 1 20 20 LEU C C 20 174.619 174.619 173.581 1.038 19231 5878 1 11 . 1 1 20 20 LEU CA C 20 52.854 52.854 54.287 -1.433 19231 5879 1 11 . 1 1 20 20 LEU CB C 20 47.247 47.247 45.989 1.258 19231 5880 1 11 . 1 1 20 20 LEU H H 20 7.565 7.565 7.724 -0.159 19231 5881 1 11 . 1 1 21 21 VAL N N 21 120.636 120.636 122.135 -1.499 19231 5882 1 11 . 1 1 21 21 VAL HA H 21 5.197 5.197 4.916 0.281 19231 5883 1 11 . 1 1 21 21 VAL C C 21 174.036 174.036 174.868 -0.832 19231 5884 1 11 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.258 -0.388 19231 5885 1 11 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.247 0.201 19231 5886 1 11 . 1 1 21 21 VAL H H 21 8.466 8.466 8.386 0.080 19231 5887 1 11 . 1 1 22 22 TRP N N 22 126.709 126.709 126.684 0.025 19231 5888 1 11 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.201 -0.071 19231 5889 1 11 . 1 1 22 22 TRP C C 22 174.877 174.877 174.894 -0.017 19231 5890 1 11 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.192 0.875 19231 5891 1 11 . 1 1 22 22 TRP CB C 22 33.137 33.137 31.903 1.234 19231 5892 1 11 . 1 1 22 22 TRP H H 22 9.596 9.596 8.728 0.868 19231 5893 1 11 . 1 1 23 23 LEU N N 23 123.443 123.443 125.762 -2.319 19231 5894 1 11 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.611 0.423 19231 5895 1 11 . 1 1 23 23 LEU C C 23 177.552 177.552 177.206 0.346 19231 5896 1 11 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.425 0.002 19231 5897 1 11 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.114 0.808 19231 5898 1 11 . 1 1 23 23 LEU H H 23 8.834 8.834 9.270 -0.436 19231 5899 1 11 . 1 1 24 24 GLY N N 24 117.546 117.546 117.295 0.251 19231 5900 1 11 . 1 1 24 24 GLY C C 24 174.915 174.915 175.115 -0.200 19231 5901 1 11 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.759 1.461 19231 5902 1 11 . 1 1 24 24 GLY H H 24 9.401 9.401 8.669 0.732 19231 5903 1 11 . 1 1 25 25 GLU N N 25 124.565 124.565 115.218 9.347 19231 5904 1 11 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.944 0.384 19231 5905 1 11 . 1 1 25 25 GLU C C 25 176.350 176.350 175.367 0.983 19231 5906 1 11 . 1 1 25 25 GLU CA C 25 56.400 56.400 57.930 -1.530 19231 5907 1 11 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.509 0.302 19231 5908 1 11 . 1 1 25 25 GLU H H 25 9.051 9.051 8.731 0.320 19231 5909 1 11 . 1 1 26 26 THR N N 26 117.538 117.538 111.427 6.111 19231 5910 1 11 . 1 1 26 26 THR HA H 26 4.305 4.305 4.633 -0.328 19231 5911 1 11 . 1 1 26 26 THR C C 26 173.226 173.226 173.727 -0.501 19231 5912 1 11 . 1 1 26 26 THR CA C 26 62.118 62.118 61.011 1.107 19231 5913 1 11 . 1 1 26 26 THR CB C 26 70.399 70.399 70.691 -0.292 19231 5914 1 11 . 1 1 26 26 THR H H 26 8.140 8.140 7.658 0.482 19231 5915 1 11 . 1 1 27 27 ALA N N 27 131.183 131.183 128.977 2.206 19231 5916 1 11 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.995 0.095 19231 5917 1 11 . 1 1 27 27 ALA C C 27 177.483 177.483 176.830 0.653 19231 5918 1 11 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.207 0.227 19231 5919 1 11 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.741 -0.826 19231 5920 1 11 . 1 1 27 27 ALA H H 27 8.937 8.937 8.672 0.265 19231 5921 1 11 . 1 1 28 28 LEU N N 28 124.160 124.160 125.801 -1.641 19231 5922 1 11 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.406 -0.070 19231 5923 1 11 . 1 1 28 28 LEU C C 28 176.114 176.114 176.346 -0.232 19231 5924 1 11 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.553 -0.947 19231 5925 1 11 . 1 1 28 28 LEU CB C 28 43.322 43.322 44.118 -0.796 19231 5926 1 11 . 1 1 28 28 LEU H H 28 8.663 8.663 7.783 0.880 19231 5927 1 11 . 1 1 29 29 ASP N N 29 124.715 124.715 125.670 -0.955 19231 5928 1 11 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.696 0.014 19231 5929 1 11 . 1 1 29 29 ASP C C 29 174.721 174.721 175.022 -0.301 19231 5930 1 11 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.447 -0.123 19231 5931 1 11 . 1 1 29 29 ASP CB C 29 40.336 40.336 39.912 0.424 19231 5932 1 11 . 1 1 29 29 ASP H H 29 8.690 8.690 8.492 0.199 19231 5933 1 11 . 1 1 30 30 LEU N N 30 123.472 123.472 119.226 4.246 19231 5934 1 11 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.964 -0.133 19231 5935 1 11 . 1 1 30 30 LEU C C 30 177.944 177.944 176.199 1.745 19231 5936 1 11 . 1 1 30 30 LEU CA C 30 52.937 52.937 52.837 0.100 19231 5937 1 11 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.501 -0.521 19231 5938 1 11 . 1 1 30 30 LEU H H 30 7.969 7.969 7.858 0.111 19231 5939 1 11 . 1 1 31 31 THR N N 31 115.969 115.969 112.827 3.142 19231 5940 1 11 . 1 1 31 31 THR HA H 31 4.700 4.700 4.358 0.342 19231 5941 1 11 . 1 1 31 31 THR C C 31 173.645 173.645 174.847 -1.202 19231 5942 1 11 . 1 1 31 31 THR CA C 31 60.704 60.704 60.944 -0.240 19231 5943 1 11 . 1 1 31 31 THR CB C 31 67.869 67.869 68.467 -0.598 19231 5944 1 11 . 1 1 31 31 THR H H 31 8.864 8.864 8.529 0.335 19231 5945 1 11 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.267 0.013 19231 5946 1 11 . 1 1 32 32 PRO C C 32 178.657 178.657 178.781 -0.124 19231 5947 1 11 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.770 0.734 19231 5948 1 11 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.956 0.023 19231 5949 1 11 . 1 1 33 33 LYS N N 33 116.417 116.417 117.591 -1.174 19231 5950 1 11 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.024 -0.100 19231 5951 1 11 . 1 1 33 33 LYS C C 33 178.084 178.084 179.041 -0.957 19231 5952 1 11 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.933 -0.268 19231 5953 1 11 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.924 0.648 19231 5954 1 11 . 1 1 33 33 LYS H H 33 8.044 8.044 8.499 -0.455 19231 5955 1 11 . 1 1 34 34 GLU N N 34 118.272 118.272 119.345 -1.073 19231 5956 1 11 . 1 1 34 34 GLU HA H 34 3.620 3.620 4.017 -0.397 19231 5957 1 11 . 1 1 34 34 GLU C C 34 178.512 178.512 178.538 -0.026 19231 5958 1 11 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.231 0.313 19231 5959 1 11 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.471 1.050 19231 5960 1 11 . 1 1 34 34 GLU H H 34 7.376 7.376 8.066 -0.690 19231 5961 1 11 . 1 1 35 35 TYR N N 35 118.351 118.351 120.081 -1.730 19231 5962 1 11 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.055 -0.358 19231 5963 1 11 . 1 1 35 35 TYR C C 35 177.597 177.597 176.588 1.009 19231 5964 1 11 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.264 1.037 19231 5965 1 11 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.233 -0.300 19231 5966 1 11 . 1 1 35 35 TYR H H 35 8.950 8.950 7.822 1.128 19231 5967 1 11 . 1 1 36 36 ALA N N 36 123.913 123.913 122.282 1.631 19231 5968 1 11 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.136 -0.393 19231 5969 1 11 . 1 1 36 36 ALA C C 36 180.061 180.061 179.249 0.812 19231 5970 1 11 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.688 0.725 19231 5971 1 11 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.357 -0.295 19231 5972 1 11 . 1 1 36 36 ALA H H 36 8.147 8.147 7.662 0.485 19231 5973 1 11 . 1 1 37 37 LEU N N 37 116.924 116.924 120.044 -3.120 19231 5974 1 11 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.264 -0.354 19231 5975 1 11 . 1 1 37 37 LEU C C 37 177.760 177.760 179.293 -1.533 19231 5976 1 11 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.922 -0.586 19231 5977 1 11 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.377 1.666 19231 5978 1 11 . 1 1 37 37 LEU H H 37 7.651 7.651 7.497 0.154 19231 5979 1 11 . 1 1 38 38 LEU N N 38 118.232 118.232 120.085 -1.853 19231 5980 1 11 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.750 0.120 19231 5981 1 11 . 1 1 38 38 LEU C C 38 178.524 178.524 178.175 0.349 19231 5982 1 11 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.485 -1.088 19231 5983 1 11 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.289 -0.160 19231 5984 1 11 . 1 1 38 38 LEU H H 38 8.550 8.550 8.549 0.001 19231 5985 1 11 . 1 1 39 39 SER N N 39 113.045 113.045 114.505 -1.460 19231 5986 1 11 . 1 1 39 39 SER HA H 39 3.700 3.700 4.008 -0.308 19231 5987 1 11 . 1 1 39 39 SER C C 39 175.854 175.854 176.769 -0.915 19231 5988 1 11 . 1 1 39 39 SER CA C 39 62.126 62.126 61.925 0.201 19231 5989 1 11 . 1 1 39 39 SER CB C 39 68.227 68.227 62.386 5.841 19231 5990 1 11 . 1 1 39 39 SER H H 39 8.540 8.540 7.963 0.577 19231 5991 1 11 . 1 1 40 40 ARG N N 40 121.521 121.521 121.473 0.048 19231 5992 1 11 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.186 -0.176 19231 5993 1 11 . 1 1 40 40 ARG C C 40 178.731 178.731 178.507 0.224 19231 5994 1 11 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.233 0.078 19231 5995 1 11 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.722 -1.197 19231 5996 1 11 . 1 1 40 40 ARG H H 40 7.112 7.112 7.505 -0.393 19231 5997 1 11 . 1 1 41 41 LEU N N 41 115.939 115.939 120.242 -4.303 19231 5998 1 11 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.986 0.006 19231 5999 1 11 . 1 1 41 41 LEU C C 41 180.049 180.049 179.584 0.465 19231 6000 1 11 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.098 -0.262 19231 6001 1 11 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.751 0.265 19231 6002 1 11 . 1 1 41 41 LEU H H 41 7.960 7.960 7.953 0.007 19231 6003 1 11 . 1 1 42 42 MET N N 42 116.335 116.335 117.209 -0.874 19231 6004 1 11 . 1 1 42 42 MET HA H 42 3.877 3.877 4.183 -0.306 19231 6005 1 11 . 1 1 42 42 MET C C 42 178.748 178.748 178.210 0.538 19231 6006 1 11 . 1 1 42 42 MET CA C 42 59.530 59.530 57.748 1.782 19231 6007 1 11 . 1 1 42 42 MET CB C 42 33.449 33.449 31.834 1.615 19231 6008 1 11 . 1 1 42 42 MET H H 42 8.825 8.825 8.606 0.219 19231 6009 1 11 . 1 1 43 43 MET N N 43 119.000 119.000 119.901 -0.901 19231 6010 1 11 . 1 1 43 43 MET HA H 43 4.137 4.137 4.238 -0.101 19231 6011 1 11 . 1 1 43 43 MET C C 43 176.813 176.813 176.612 0.201 19231 6012 1 11 . 1 1 43 43 MET CA C 43 58.405 58.405 57.992 0.413 19231 6013 1 11 . 1 1 43 43 MET CB C 43 32.382 32.382 32.848 -0.466 19231 6014 1 11 . 1 1 43 43 MET H H 43 8.250 8.250 7.739 0.511 19231 6015 1 11 . 1 1 44 44 LYS N N 44 117.715 117.715 117.564 0.151 19231 6016 1 11 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.548 0.083 19231 6017 1 11 . 1 1 44 44 LYS C C 44 175.226 175.226 174.871 0.355 19231 6018 1 11 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.601 -1.775 19231 6019 1 11 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.792 -1.321 19231 6020 1 11 . 1 1 44 44 LYS H H 44 7.088 7.088 7.381 -0.293 19231 6021 1 11 . 1 1 45 45 ALA N N 45 122.613 122.613 122.157 0.456 19231 6022 1 11 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.272 0.047 19231 6023 1 11 . 1 1 45 45 ALA C C 45 178.994 178.994 178.414 0.580 19231 6024 1 11 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.776 0.898 19231 6025 1 11 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.803 0.594 19231 6026 1 11 . 1 1 45 45 ALA H H 45 6.952 6.952 7.778 -0.826 19231 6027 1 11 . 1 1 46 46 GLY N N 46 109.561 109.561 111.516 -1.955 19231 6028 1 11 . 1 1 46 46 GLY C C 46 173.547 173.547 174.292 -0.745 19231 6029 1 11 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.087 0.379 19231 6030 1 11 . 1 1 46 46 GLY H H 46 8.944 8.944 8.631 0.313 19231 6031 1 11 . 1 1 47 47 SER N N 47 116.886 116.886 116.176 0.710 19231 6032 1 11 . 1 1 47 47 SER HA H 47 5.130 5.130 4.982 0.148 19231 6033 1 11 . 1 1 47 47 SER C C 47 170.481 170.481 172.073 -1.592 19231 6034 1 11 . 1 1 47 47 SER CA C 47 55.988 55.988 55.683 0.305 19231 6035 1 11 . 1 1 47 47 SER CB C 47 65.098 65.098 64.980 0.118 19231 6036 1 11 . 1 1 47 47 SER H H 47 8.759 8.759 7.719 1.040 19231 6037 1 11 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.713 -0.295 19231 6038 1 11 . 1 1 48 48 PRO C C 48 175.854 175.854 176.088 -0.234 19231 6039 1 11 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.472 -0.027 19231 6040 1 11 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.147 0.762 19231 6041 1 11 . 1 1 49 49 VAL N N 49 124.173 124.173 124.081 0.092 19231 6042 1 11 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.242 0.169 19231 6043 1 11 . 1 1 49 49 VAL C C 49 175.186 175.186 175.342 -0.156 19231 6044 1 11 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.095 0.364 19231 6045 1 11 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.679 -0.183 19231 6046 1 11 . 1 1 49 49 VAL H H 49 9.235 9.235 8.707 0.528 19231 6047 1 11 . 1 1 50 50 HIS N N 50 128.035 128.035 124.214 3.821 19231 6048 1 11 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.233 -0.663 19231 6049 1 11 . 1 1 50 50 HIS C C 50 177.130 177.130 176.195 0.935 19231 6050 1 11 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.570 2.883 19231 6051 1 11 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.571 0.971 19231 6052 1 11 . 1 1 50 50 HIS H H 50 8.791 8.791 8.731 0.060 19231 6053 1 11 . 1 1 51 51 ARG N N 51 125.631 125.631 126.109 -0.478 19231 6054 1 11 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.898 -0.018 19231 6055 1 11 . 1 1 51 51 ARG C C 51 176.786 176.786 177.640 -0.854 19231 6056 1 11 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.028 1.051 19231 6057 1 11 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.761 0.389 19231 6058 1 11 . 1 1 51 51 ARG H H 51 8.544 8.544 8.491 0.053 19231 6059 1 11 . 1 1 52 52 GLU N N 52 120.964 120.964 119.646 1.318 19231 6060 1 11 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.947 0.133 19231 6061 1 11 . 1 1 52 52 GLU C C 52 179.334 179.334 178.666 0.668 19231 6062 1 11 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.741 1.028 19231 6063 1 11 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.476 0.753 19231 6064 1 11 . 1 1 52 52 GLU H H 52 10.831 10.831 7.623 3.208 19231 6065 1 11 . 1 1 53 53 ILE N N 53 119.337 119.337 119.510 -0.173 19231 6066 1 11 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.726 0.145 19231 6067 1 11 . 1 1 53 53 ILE C C 53 178.080 178.080 178.291 -0.211 19231 6068 1 11 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.465 -1.355 19231 6069 1 11 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.681 -0.185 19231 6070 1 11 . 1 1 53 53 ILE H H 53 7.239 7.239 7.642 -0.403 19231 6071 1 11 . 1 1 54 54 LEU N N 54 118.502 118.502 118.069 0.433 19231 6072 1 11 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.267 -0.107 19231 6073 1 11 . 1 1 54 54 LEU C C 54 178.676 178.676 178.906 -0.230 19231 6074 1 11 . 1 1 54 54 LEU CA C 54 57.074 57.074 56.984 0.090 19231 6075 1 11 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.453 -0.130 19231 6076 1 11 . 1 1 54 54 LEU H H 54 7.198 7.198 7.314 -0.116 19231 6077 1 11 . 1 1 55 55 TYR N N 55 117.114 117.114 119.786 -2.672 19231 6078 1 11 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.183 -0.048 19231 6079 1 11 . 1 1 55 55 TYR C C 55 177.987 177.987 177.443 0.544 19231 6080 1 11 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.078 0.059 19231 6081 1 11 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.709 -0.602 19231 6082 1 11 . 1 1 55 55 TYR H H 55 8.872 8.872 8.056 0.816 19231 6083 1 11 . 1 1 56 56 ASN N N 56 116.720 116.720 116.926 -0.206 19231 6084 1 11 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.600 -0.115 19231 6085 1 11 . 1 1 56 56 ASN C C 56 177.439 177.439 176.263 1.176 19231 6086 1 11 . 1 1 56 56 ASN CA C 56 56.013 56.013 56.419 -0.406 19231 6087 1 11 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.157 0.133 19231 6088 1 11 . 1 1 56 56 ASN H H 56 7.796 7.796 7.953 -0.157 19231 6089 1 11 . 1 1 57 57 ASP N N 57 118.532 118.532 120.501 -1.969 19231 6090 1 11 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.406 0.134 19231 6091 1 11 . 1 1 57 57 ASP C C 57 177.886 177.886 177.810 0.076 19231 6092 1 11 . 1 1 57 57 ASP CA C 57 57.086 57.086 57.004 0.082 19231 6093 1 11 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.608 0.272 19231 6094 1 11 . 1 1 57 57 ASP H H 57 7.842 7.842 7.573 0.269 19231 6095 1 11 . 1 1 58 58 ILE N N 58 109.975 109.975 116.898 -6.923 19231 6096 1 11 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.831 0.469 19231 6097 1 11 . 1 1 58 58 ILE C C 58 175.916 175.916 176.275 -0.359 19231 6098 1 11 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.652 -1.312 19231 6099 1 11 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.614 0.216 19231 6100 1 11 . 1 1 58 58 ILE H H 58 7.277 7.277 7.354 -0.077 19231 6101 1 11 . 1 1 59 59 TYR N N 59 122.761 122.761 117.539 5.222 19231 6102 1 11 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.599 -0.303 19231 6103 1 11 . 1 1 59 59 TYR C C 59 176.037 176.037 174.990 1.047 19231 6104 1 11 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.566 1.604 19231 6105 1 11 . 1 1 59 59 TYR CB C 59 38.277 38.277 41.331 -3.054 19231 6106 1 11 . 1 1 59 59 TYR H H 59 7.788 7.788 7.915 -0.127 19231 6107 1 11 . 1 1 60 60 SER N N 60 117.350 117.350 113.818 3.532 19231 6108 1 11 . 1 1 60 60 SER HA H 60 4.292 4.292 4.526 -0.234 19231 6109 1 11 . 1 1 60 60 SER C C 60 174.206 174.206 174.305 -0.099 19231 6110 1 11 . 1 1 60 60 SER CA C 60 57.976 57.976 58.905 -0.929 19231 6111 1 11 . 1 1 60 60 SER CB C 60 63.884 63.884 64.393 -0.509 19231 6112 1 11 . 1 1 60 60 SER H H 60 7.721 7.721 8.986 -1.265 19231 6113 1 11 . 1 1 61 61 TRP N N 61 122.170 122.170 122.025 0.145 19231 6114 1 11 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.688 -0.211 19231 6115 1 11 . 1 1 61 61 TRP C C 61 175.798 175.798 175.602 0.196 19231 6116 1 11 . 1 1 61 61 TRP CA C 61 57.863 57.863 58.069 -0.207 19231 6117 1 11 . 1 1 61 61 TRP CB C 61 28.826 28.826 30.021 -1.195 19231 6118 1 11 . 1 1 61 61 TRP H H 61 7.990 7.990 8.266 -0.276 19231 6119 1 11 . 1 1 62 62 ASP N N 62 119.118 119.118 118.506 0.612 19231 6120 1 11 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.855 -0.415 19231 6121 1 11 . 1 1 62 62 ASP C C 62 175.559 175.559 175.890 -0.331 19231 6122 1 11 . 1 1 62 62 ASP CA C 62 53.811 53.811 54.062 -0.251 19231 6123 1 11 . 1 1 62 62 ASP CB C 62 40.716 40.716 42.292 -1.576 19231 6124 1 11 . 1 1 62 62 ASP H H 62 7.900 7.900 7.959 -0.059 19231 6125 1 11 . 1 1 63 63 ASN N N 63 117.586 117.586 121.069 -3.483 19231 6126 1 11 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.565 -0.019 19231 6127 1 11 . 1 1 63 63 ASN C C 63 174.737 174.737 175.081 -0.344 19231 6128 1 11 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.929 -1.771 19231 6129 1 11 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.919 -0.176 19231 6130 1 11 . 1 1 63 63 ASN H H 63 8.080 8.080 8.620 -0.540 19231 6131 1 11 . 1 1 64 64 GLU N N 64 121.831 121.831 115.762 6.069 19231 6132 1 11 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.171 0.409 19231 6133 1 11 . 1 1 64 64 GLU C C 64 174.706 174.706 174.130 0.576 19231 6134 1 11 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.888 -1.128 19231 6135 1 11 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.060 0.769 19231 6136 1 11 . 1 1 64 64 GLU H H 64 8.224 8.224 8.464 -0.240 19231 6137 1 11 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.379 0.015 19231 6138 1 11 . 1 1 65 65 PRO C C 65 177.312 177.312 176.270 1.042 19231 6139 1 11 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.567 1.257 19231 6140 1 11 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.812 0.059 19231 6141 1 11 . 1 1 66 66 ALA N N 66 122.755 122.755 129.395 -6.640 19231 6142 1 11 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.227 0.123 19231 6143 1 11 . 1 1 66 66 ALA C C 66 178.352 178.352 177.428 0.924 19231 6144 1 11 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.377 -0.529 19231 6145 1 11 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.577 0.509 19231 6146 1 11 . 1 1 66 66 ALA H H 66 8.465 8.465 8.469 -0.004 19231 6147 1 11 . 1 1 67 67 THR N N 67 111.079 111.079 111.297 -0.218 19231 6148 1 11 . 1 1 67 67 THR HA H 67 4.287 4.287 4.082 0.205 19231 6149 1 11 . 1 1 67 67 THR C C 67 175.040 175.040 173.947 1.093 19231 6150 1 11 . 1 1 67 67 THR CA C 67 62.505 62.505 64.679 -2.174 19231 6151 1 11 . 1 1 67 67 THR CB C 67 69.187 69.187 66.805 2.382 19231 6152 1 11 . 1 1 67 67 THR H H 67 8.002 8.002 8.507 -0.505 19231 6153 1 11 . 1 1 68 68 ASN N N 68 120.768 120.768 114.595 6.173 19231 6154 1 11 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.798 0.181 19231 6155 1 11 . 1 1 68 68 ASN C C 68 175.250 175.250 174.057 1.193 19231 6156 1 11 . 1 1 68 68 ASN CA C 68 53.036 53.036 52.873 0.163 19231 6157 1 11 . 1 1 68 68 ASN CB C 68 38.678 38.678 39.649 -0.971 19231 6158 1 11 . 1 1 68 68 ASN H H 68 8.280 8.280 7.796 0.484 19231 6159 1 11 . 1 1 69 69 THR N N 69 112.288 112.288 113.153 -0.865 19231 6160 1 11 . 1 1 69 69 THR HA H 69 4.480 4.480 4.360 0.120 19231 6161 1 11 . 1 1 69 69 THR C C 69 175.830 175.830 175.667 0.163 19231 6162 1 11 . 1 1 69 69 THR CA C 69 62.328 62.328 62.699 -0.371 19231 6163 1 11 . 1 1 69 69 THR CB C 69 69.927 69.927 69.201 0.726 19231 6164 1 11 . 1 1 69 69 THR H H 69 7.691 7.691 7.978 -0.287 19231 6165 1 11 . 1 1 70 70 LEU N N 70 123.384 123.384 123.720 -0.336 19231 6166 1 11 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.265 -0.185 19231 6167 1 11 . 1 1 70 70 LEU C C 70 177.457 177.457 178.825 -1.368 19231 6168 1 11 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.475 0.133 19231 6169 1 11 . 1 1 70 70 LEU CB C 70 41.494 41.494 40.998 0.496 19231 6170 1 11 . 1 1 70 70 LEU H H 70 8.843 8.843 8.127 0.716 19231 6171 1 11 . 1 1 71 71 GLU N N 71 116.878 116.878 118.638 -1.760 19231 6172 1 11 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.194 -0.489 19231 6173 1 11 . 1 1 71 71 GLU C C 71 179.305 179.305 178.990 0.315 19231 6174 1 11 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.049 2.122 19231 6175 1 11 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.191 -0.363 19231 6176 1 11 . 1 1 71 71 GLU H H 71 8.652 8.652 8.683 -0.031 19231 6177 1 11 . 1 1 72 72 VAL N N 72 121.419 121.419 120.231 1.188 19231 6178 1 11 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.862 -0.177 19231 6179 1 11 . 1 1 72 72 VAL C C 72 177.680 177.680 177.855 -0.175 19231 6180 1 11 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.335 -0.224 19231 6181 1 11 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.307 0.160 19231 6182 1 11 . 1 1 72 72 VAL H H 72 7.559 7.559 7.892 -0.333 19231 6183 1 11 . 1 1 73 73 HIS N N 73 118.272 118.272 119.904 -1.632 19231 6184 1 11 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.258 0.202 19231 6185 1 11 . 1 1 73 73 HIS C C 73 178.616 178.616 177.631 0.985 19231 6186 1 11 . 1 1 73 73 HIS CA C 73 60.206 60.206 60.035 0.171 19231 6187 1 11 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.856 1.413 19231 6188 1 11 . 1 1 73 73 HIS H H 73 7.420 7.420 8.701 -1.281 19231 6189 1 11 . 1 1 74 74 ILE N N 74 118.940 118.940 119.396 -0.456 19231 6190 1 11 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.529 0.041 19231 6191 1 11 . 1 1 74 74 ILE C C 74 177.819 177.819 177.325 0.494 19231 6192 1 11 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.421 -3.478 19231 6193 1 11 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.705 -3.430 19231 6194 1 11 . 1 1 74 74 ILE H H 74 8.515 8.515 7.812 0.703 19231 6195 1 11 . 1 1 75 75 HIS N N 75 120.484 120.484 120.355 0.129 19231 6196 1 11 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.167 0.103 19231 6197 1 11 . 1 1 75 75 HIS C C 75 177.445 177.445 177.533 -0.088 19231 6198 1 11 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.404 -0.288 19231 6199 1 11 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.752 -0.940 19231 6200 1 11 . 1 1 75 75 HIS H H 75 8.189 8.189 8.002 0.187 19231 6201 1 11 . 1 1 76 76 ASN N N 76 119.098 119.098 117.700 1.398 19231 6202 1 11 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.537 -0.148 19231 6203 1 11 . 1 1 76 76 ASN C C 76 178.615 178.615 177.761 0.854 19231 6204 1 11 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.792 -0.287 19231 6205 1 11 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.857 -1.548 19231 6206 1 11 . 1 1 76 76 ASN H H 76 8.456 8.456 8.188 0.268 19231 6207 1 11 . 1 1 77 77 LEU N N 77 120.517 120.517 121.638 -1.121 19231 6208 1 11 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.152 -0.201 19231 6209 1 11 . 1 1 77 77 LEU C C 77 178.945 178.945 177.854 1.091 19231 6210 1 11 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.326 0.670 19231 6211 1 11 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.349 1.757 19231 6212 1 11 . 1 1 77 77 LEU H H 77 8.579 8.579 8.153 0.426 19231 6213 1 11 . 1 1 78 78 ARG N N 78 119.521 119.521 119.892 -0.371 19231 6214 1 11 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.745 -0.085 19231 6215 1 11 . 1 1 78 78 ARG C C 78 178.766 178.766 178.245 0.521 19231 6216 1 11 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.875 -0.440 19231 6217 1 11 . 1 1 78 78 ARG CB C 78 30.834 30.834 29.922 0.912 19231 6218 1 11 . 1 1 78 78 ARG H H 78 8.687 8.687 8.697 -0.010 19231 6219 1 11 . 1 1 79 79 GLU N N 79 116.882 116.882 116.800 0.082 19231 6220 1 11 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.071 -0.142 19231 6221 1 11 . 1 1 79 79 GLU C C 79 178.226 178.226 178.564 -0.338 19231 6222 1 11 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.770 -0.104 19231 6223 1 11 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.058 0.493 19231 6224 1 11 . 1 1 79 79 GLU H H 79 7.717 7.717 7.732 -0.015 19231 6225 1 11 . 1 1 80 80 LYS N N 80 116.574 116.574 117.519 -0.945 19231 6226 1 11 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.087 0.165 19231 6227 1 11 . 1 1 80 80 LYS C C 80 178.413 178.413 178.761 -0.348 19231 6228 1 11 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.311 0.750 19231 6229 1 11 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.620 1.818 19231 6230 1 11 . 1 1 80 80 LYS H H 80 7.419 7.419 7.615 -0.196 19231 6231 1 11 . 1 1 81 81 ILE N N 81 108.393 108.393 112.064 -3.671 19231 6232 1 11 . 1 1 81 81 ILE HA H 81 4.684 4.684 3.967 0.717 19231 6233 1 11 . 1 1 81 81 ILE C C 81 174.986 174.986 176.881 -1.895 19231 6234 1 11 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.888 -0.742 19231 6235 1 11 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.389 0.823 19231 6236 1 11 . 1 1 81 81 ILE H H 81 8.162 8.162 7.597 0.565 19231 6237 1 11 . 1 1 82 82 GLY N N 82 113.636 113.636 109.511 4.125 19231 6238 1 11 . 1 1 82 82 GLY C C 82 175.419 175.419 175.054 0.365 19231 6239 1 11 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.806 0.050 19231 6240 1 11 . 1 1 82 82 GLY H H 82 7.852 7.852 8.178 -0.326 19231 6241 1 11 . 1 1 83 83 LYS N N 83 125.732 125.732 122.795 2.937 19231 6242 1 11 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.911 -0.181 19231 6243 1 11 . 1 1 83 83 LYS C C 83 178.177 178.177 178.204 -0.027 19231 6244 1 11 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.770 1.152 19231 6245 1 11 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.848 0.518 19231 6246 1 11 . 1 1 83 83 LYS H H 83 8.511 8.511 8.344 0.167 19231 6247 1 11 . 1 1 84 84 SER N N 84 110.852 110.852 115.753 -4.901 19231 6248 1 11 . 1 1 84 84 SER HA H 84 4.346 4.346 4.219 0.127 19231 6249 1 11 . 1 1 84 84 SER C C 84 175.008 175.008 175.748 -0.740 19231 6250 1 11 . 1 1 84 84 SER CA C 84 58.935 58.935 60.968 -2.033 19231 6251 1 11 . 1 1 84 84 SER CB C 84 63.140 63.140 63.061 0.079 19231 6252 1 11 . 1 1 84 84 SER H H 84 8.438 8.438 8.282 0.156 19231 6253 1 11 . 1 1 85 85 ARG N N 85 118.561 118.561 118.011 0.550 19231 6254 1 11 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.477 -0.247 19231 6255 1 11 . 1 1 85 85 ARG C C 85 176.208 176.208 175.096 1.112 19231 6256 1 11 . 1 1 85 85 ARG CA C 85 57.156 57.156 54.936 2.220 19231 6257 1 11 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.061 0.327 19231 6258 1 11 . 1 1 85 85 ARG H H 85 7.656 7.656 7.791 -0.135 19231 6259 1 11 . 1 1 86 86 ILE N N 86 113.200 113.200 117.795 -4.595 19231 6260 1 11 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.310 0.585 19231 6261 1 11 . 1 1 86 86 ILE C C 86 175.573 175.573 174.924 0.649 19231 6262 1 11 . 1 1 86 86 ILE CA C 86 59.461 59.461 60.080 -0.619 19231 6263 1 11 . 1 1 86 86 ILE CB C 86 39.188 39.188 42.112 -2.924 19231 6264 1 11 . 1 1 86 86 ILE H H 86 6.880 6.880 7.503 -0.623 19231 6265 1 11 . 1 1 87 87 ARG N N 87 128.727 128.727 122.576 6.151 19231 6266 1 11 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.771 0.026 19231 6267 1 11 . 1 1 87 87 ARG C C 87 176.501 176.501 174.730 1.771 19231 6268 1 11 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.894 -1.230 19231 6269 1 11 . 1 1 87 87 ARG CB C 87 32.011 32.011 34.183 -2.172 19231 6270 1 11 . 1 1 87 87 ARG H H 87 9.786 9.786 8.282 1.504 19231 6271 1 11 . 1 1 88 88 THR N N 88 122.821 122.821 116.527 6.294 19231 6272 1 11 . 1 1 88 88 THR HA H 88 4.138 4.138 3.977 0.161 19231 6273 1 11 . 1 1 88 88 THR C C 88 173.802 173.802 174.430 -0.628 19231 6274 1 11 . 1 1 88 88 THR CA C 88 63.514 63.514 61.084 2.430 19231 6275 1 11 . 1 1 88 88 THR CB C 88 68.908 68.908 69.481 -0.573 19231 6276 1 11 . 1 1 88 88 THR H H 88 9.421 9.421 8.332 1.089 19231 6277 1 11 . 1 1 89 89 VAL N N 89 130.400 130.400 125.518 4.882 19231 6278 1 11 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.142 0.038 19231 6279 1 11 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.240 0.138 19231 6280 1 11 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.248 -1.363 19231 6281 1 11 . 1 1 89 89 VAL H H 89 8.400 8.400 8.047 0.352 19231 6282 1 11 . 1 1 91 91 GLY C C 91 173.530 173.530 173.444 0.086 19231 6283 1 11 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.987 -0.462 19231 6284 1 11 . 1 1 92 92 PHE N N 92 119.601 119.601 118.932 0.669 19231 6285 1 11 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.691 -0.250 19231 6286 1 11 . 1 1 92 92 PHE C C 92 174.744 174.744 173.985 0.759 19231 6287 1 11 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.628 1.426 19231 6288 1 11 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.715 2.718 19231 6289 1 11 . 1 1 92 92 PHE H H 92 8.332 8.332 7.702 0.630 19231 6290 1 11 . 1 1 93 93 GLY N N 93 105.445 105.445 105.089 0.356 19231 6291 1 11 . 1 1 93 93 GLY C C 93 171.776 171.776 172.811 -1.035 19231 6292 1 11 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.176 2.539 19231 6293 1 11 . 1 1 93 93 GLY H H 93 8.377 8.377 7.844 0.533 19231 6294 1 11 . 1 1 94 94 TYR N N 94 122.471 122.471 116.678 5.793 19231 6295 1 11 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.745 0.685 19231 6296 1 11 . 1 1 94 94 TYR C C 94 172.889 172.889 174.150 -1.261 19231 6297 1 11 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.978 -0.610 19231 6298 1 11 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.792 0.260 19231 6299 1 11 . 1 1 94 94 TYR H H 94 8.475 8.475 7.980 0.495 19231 6300 1 11 . 1 1 95 95 MET N N 95 118.643 118.643 119.368 -0.725 19231 6301 1 11 . 1 1 95 95 MET HA H 95 4.890 4.890 5.030 -0.140 19231 6302 1 11 . 1 1 95 95 MET C C 95 173.438 173.438 174.186 -0.748 19231 6303 1 11 . 1 1 95 95 MET CA C 95 54.125 54.125 54.851 -0.726 19231 6304 1 11 . 1 1 95 95 MET CB C 95 39.364 39.364 36.057 3.307 19231 6305 1 11 . 1 1 95 95 MET H H 95 8.936 8.936 8.471 0.465 19231 6306 1 11 . 1 1 96 96 LEU N N 96 130.194 130.194 125.360 4.834 19231 6307 1 11 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.462 0.618 19231 6308 1 11 . 1 1 96 96 LEU C C 96 174.912 174.912 176.927 -2.015 19231 6309 1 11 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.102 -0.620 19231 6310 1 11 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.373 1.383 19231 6311 1 11 . 1 1 96 96 LEU H H 96 9.848 9.848 8.676 1.172 19231 6312 1 11 . 1 1 97 97 ALA N N 97 131.168 131.168 126.692 4.476 19231 6313 1 11 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.157 0.179 19231 6314 1 11 . 1 1 97 97 ALA C C 97 176.560 176.560 177.533 -0.973 19231 6315 1 11 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.858 -0.963 19231 6316 1 11 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.459 0.552 19231 6317 1 11 . 1 1 97 97 ALA H H 97 8.681 8.681 8.201 0.480 19231 6318 1 11 . 1 1 98 98 ASN N N 98 118.268 118.268 122.367 -4.099 19231 6319 1 11 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.416 0.264 19231 6320 1 11 . 1 1 98 98 ASN C C 98 174.939 174.939 175.002 -0.063 19231 6321 1 11 . 1 1 98 98 ASN CA C 98 52.429 52.429 55.560 -3.131 19231 6322 1 11 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.958 -0.046 19231 6323 1 11 . 1 1 98 98 ASN H H 98 8.654 8.654 8.837 -0.183 19231 6324 1 11 . 1 1 99 99 ASN N N 99 117.488 117.488 114.433 3.055 19231 6325 1 11 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.909 -0.109 19231 6326 1 11 . 1 1 99 99 ASN C C 99 174.744 174.744 175.107 -0.363 19231 6327 1 11 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.016 0.032 19231 6328 1 11 . 1 1 99 99 ASN CB C 99 39.039 39.039 39.451 -0.412 19231 6329 1 11 . 1 1 99 99 ASN H H 99 8.131 8.131 8.193 -0.062 19231 6330 1 11 . 1 1 100 100 ILE N N 100 118.881 118.881 120.479 -1.598 19231 6331 1 11 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.930 0.310 19231 6332 1 11 . 1 1 100 100 ILE C C 100 175.769 175.769 175.664 0.105 19231 6333 1 11 . 1 1 100 100 ILE CA C 100 61.004 61.004 63.192 -2.188 19231 6334 1 11 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.523 1.156 19231 6335 1 11 . 1 1 100 100 ILE H H 100 8.139 8.139 8.146 -0.007 19231 6336 1 11 . 1 1 101 101 ASP N N 101 123.516 123.516 117.640 5.876 19231 6337 1 11 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.662 0.058 19231 6338 1 11 . 1 1 101 101 ASP C C 101 176.210 176.210 176.669 -0.459 19231 6339 1 11 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.668 -0.155 19231 6340 1 11 . 1 1 101 101 ASP CB C 101 41.221 41.221 39.886 1.335 19231 6341 1 11 . 1 1 101 101 ASP H H 101 8.426 8.426 8.117 0.309 19231 6342 1 11 . 1 1 102 102 THR N N 102 113.358 113.358 115.707 -2.349 19231 6343 1 11 . 1 1 102 102 THR HA H 102 4.360 4.360 4.195 0.165 19231 6344 1 11 . 1 1 102 102 THR C C 102 173.733 173.733 174.872 -1.139 19231 6345 1 11 . 1 1 102 102 THR CA C 102 61.477 61.477 62.353 -0.876 19231 6346 1 11 . 1 1 102 102 THR CB C 102 69.788 69.788 70.083 -0.295 19231 6347 1 11 . 1 1 102 102 THR H H 102 8.045 8.045 7.311 0.734 19231 6348 1 12 . 1 1 2 2 GLN N N 2 121.990 121.990 118.580 3.410 19231 6349 1 12 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.620 -0.283 19231 6350 1 12 . 1 1 2 2 GLN C C 2 176.320 176.320 176.097 0.223 19231 6351 1 12 . 1 1 2 2 GLN CA C 2 56.295 56.295 55.448 0.847 19231 6352 1 12 . 1 1 2 2 GLN CB C 2 29.270 29.270 28.788 0.482 19231 6353 1 12 . 1 1 2 2 GLN H H 2 8.705 8.705 8.311 0.394 19231 6354 1 12 . 1 1 3 3 GLY N N 3 110.481 110.481 108.957 1.524 19231 6355 1 12 . 1 1 3 3 GLY C C 3 174.116 174.116 173.113 1.003 19231 6356 1 12 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.250 -0.135 19231 6357 1 12 . 1 1 3 3 GLY H H 3 8.540 8.540 8.486 0.054 19231 6358 1 12 . 1 1 4 4 ASP N N 4 120.750 120.750 115.540 5.210 19231 6359 1 12 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.742 -0.101 19231 6360 1 12 . 1 1 4 4 ASP C C 4 175.974 175.974 173.848 2.126 19231 6361 1 12 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.246 1.210 19231 6362 1 12 . 1 1 4 4 ASP CB C 4 41.190 41.190 42.207 -1.017 19231 6363 1 12 . 1 1 4 4 ASP H H 4 8.251 8.251 7.741 0.510 19231 6364 1 12 . 1 1 5 5 ASN N N 5 118.421 118.421 115.599 2.822 19231 6365 1 12 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.831 -0.070 19231 6366 1 12 . 1 1 5 5 ASN C C 5 174.017 174.017 173.311 0.706 19231 6367 1 12 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.358 -0.004 19231 6368 1 12 . 1 1 5 5 ASN CB C 5 38.936 38.936 39.329 -0.393 19231 6369 1 12 . 1 1 5 5 ASN H H 5 8.513 8.513 8.563 -0.050 19231 6370 1 12 . 1 1 6 6 GLU N N 6 120.905 120.905 118.536 2.369 19231 6371 1 12 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.293 0.179 19231 6372 1 12 . 1 1 6 6 GLU C C 6 175.808 175.808 174.078 1.730 19231 6373 1 12 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.521 -0.426 19231 6374 1 12 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.372 -0.359 19231 6375 1 12 . 1 1 6 6 GLU H H 6 8.116 8.116 8.176 -0.060 19231 6376 1 12 . 1 1 7 7 ILE N N 7 122.567 122.567 115.266 7.301 19231 6377 1 12 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.736 -0.202 19231 6378 1 12 . 1 1 7 7 ILE C C 7 174.653 174.653 173.825 0.828 19231 6379 1 12 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.730 0.383 19231 6380 1 12 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.676 -0.334 19231 6381 1 12 . 1 1 7 7 ILE H H 7 8.966 8.966 8.722 0.244 19231 6382 1 12 . 1 1 8 8 SER N N 8 120.446 120.446 117.146 3.300 19231 6383 1 12 . 1 1 8 8 SER HA H 8 5.536 5.536 5.383 0.153 19231 6384 1 12 . 1 1 8 8 SER C C 8 174.082 174.082 173.933 0.149 19231 6385 1 12 . 1 1 8 8 SER CA C 8 57.050 57.050 56.924 0.126 19231 6386 1 12 . 1 1 8 8 SER CB C 8 65.470 65.470 64.995 0.475 19231 6387 1 12 . 1 1 8 8 SER H H 8 8.773 8.773 8.293 0.480 19231 6388 1 12 . 1 1 9 9 VAL N N 9 124.896 124.896 126.469 -1.573 19231 6389 1 12 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.386 -0.196 19231 6390 1 12 . 1 1 9 9 VAL C C 9 176.141 176.141 175.580 0.561 19231 6391 1 12 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.628 -0.330 19231 6392 1 12 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.422 1.341 19231 6393 1 12 . 1 1 9 9 VAL H H 9 8.874 8.874 8.932 -0.058 19231 6394 1 12 . 1 1 10 10 GLY N N 10 117.992 117.992 117.184 0.808 19231 6395 1 12 . 1 1 10 10 GLY C C 10 174.785 174.785 174.562 0.223 19231 6396 1 12 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.501 0.829 19231 6397 1 12 . 1 1 10 10 GLY H H 10 9.114 9.114 8.596 0.518 19231 6398 1 12 . 1 1 11 11 ASN N N 11 124.908 124.908 123.866 1.042 19231 6399 1 12 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.845 -0.157 19231 6400 1 12 . 1 1 11 11 ASN C C 11 174.765 174.765 174.366 0.399 19231 6401 1 12 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.738 0.140 19231 6402 1 12 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.066 -1.789 19231 6403 1 12 . 1 1 11 11 ASN H H 11 8.609 8.609 8.476 0.133 19231 6404 1 12 . 1 1 12 12 LEU N N 12 123.550 123.550 122.117 1.433 19231 6405 1 12 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.149 0.266 19231 6406 1 12 . 1 1 12 12 LEU C C 12 175.653 175.653 175.926 -0.273 19231 6407 1 12 . 1 1 12 12 LEU CA C 12 53.937 53.937 53.977 -0.040 19231 6408 1 12 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.795 1.643 19231 6409 1 12 . 1 1 12 12 LEU H H 12 8.256 8.256 7.365 0.891 19231 6410 1 12 . 1 1 13 13 ARG N N 13 124.719 124.719 123.075 1.644 19231 6411 1 12 . 1 1 13 13 ARG HA H 13 5.227 5.227 5.048 0.179 19231 6412 1 12 . 1 1 13 13 ARG C C 13 173.394 173.394 174.724 -1.330 19231 6413 1 12 . 1 1 13 13 ARG CA C 13 55.017 55.017 54.823 0.194 19231 6414 1 12 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.943 1.565 19231 6415 1 12 . 1 1 13 13 ARG H H 13 9.169 9.169 8.312 0.857 19231 6416 1 12 . 1 1 14 14 LEU N N 14 127.743 127.743 123.424 4.319 19231 6417 1 12 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.960 0.356 19231 6418 1 12 . 1 1 14 14 LEU C C 14 174.807 174.807 174.526 0.281 19231 6419 1 12 . 1 1 14 14 LEU CA C 14 53.816 53.816 54.157 -0.341 19231 6420 1 12 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.947 -0.141 19231 6421 1 12 . 1 1 14 14 LEU H H 14 9.394 9.394 9.081 0.313 19231 6422 1 12 . 1 1 15 15 ASN N N 15 125.577 125.577 126.387 -0.810 19231 6423 1 12 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.293 0.114 19231 6424 1 12 . 1 1 15 15 ASN C C 15 175.621 175.621 175.655 -0.034 19231 6425 1 12 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.115 -0.071 19231 6426 1 12 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.358 0.709 19231 6427 1 12 . 1 1 15 15 ASN H H 15 9.520 9.520 9.144 0.376 19231 6428 1 12 . 1 1 16 16 VAL N N 16 123.478 123.478 124.311 -0.833 19231 6429 1 12 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.106 -0.026 19231 6430 1 12 . 1 1 16 16 VAL C C 16 177.902 177.902 176.981 0.921 19231 6431 1 12 . 1 1 16 16 VAL CA C 16 64.414 64.414 64.548 -0.134 19231 6432 1 12 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.207 -0.003 19231 6433 1 12 . 1 1 16 16 VAL H H 16 8.759 8.759 8.413 0.346 19231 6434 1 12 . 1 1 17 17 THR N N 17 117.004 117.004 114.508 2.496 19231 6435 1 12 . 1 1 17 17 THR HA H 17 4.340 4.340 4.083 0.257 19231 6436 1 12 . 1 1 17 17 THR C C 17 176.177 176.177 175.784 0.393 19231 6437 1 12 . 1 1 17 17 THR CA C 17 65.922 65.922 64.734 1.188 19231 6438 1 12 . 1 1 17 17 THR CB C 17 68.899 68.899 68.978 -0.079 19231 6439 1 12 . 1 1 17 17 THR H H 17 8.045 8.045 7.868 0.177 19231 6440 1 12 . 1 1 18 18 ARG N N 18 117.565 117.565 119.060 -1.495 19231 6441 1 12 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.405 -0.207 19231 6442 1 12 . 1 1 18 18 ARG C C 18 174.802 174.802 175.705 -0.903 19231 6443 1 12 . 1 1 18 18 ARG CA C 18 55.605 55.605 56.061 -0.456 19231 6444 1 12 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.862 0.363 19231 6445 1 12 . 1 1 18 18 ARG H H 18 8.035 8.035 8.217 -0.182 19231 6446 1 12 . 1 1 19 19 ARG N N 19 117.471 117.471 118.342 -0.871 19231 6447 1 12 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.605 0.309 19231 6448 1 12 . 1 1 19 19 ARG C C 19 174.359 174.359 174.274 0.085 19231 6449 1 12 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.687 -0.200 19231 6450 1 12 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.605 -1.357 19231 6451 1 12 . 1 1 19 19 ARG H H 19 7.877 7.877 8.047 -0.170 19231 6452 1 12 . 1 1 20 20 LEU N N 20 118.701 118.701 118.691 0.010 19231 6453 1 12 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.558 -0.028 19231 6454 1 12 . 1 1 20 20 LEU C C 20 174.619 174.619 174.155 0.464 19231 6455 1 12 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.488 -0.634 19231 6456 1 12 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.815 0.432 19231 6457 1 12 . 1 1 20 20 LEU H H 20 7.565 7.565 8.000 -0.435 19231 6458 1 12 . 1 1 21 21 VAL N N 21 120.636 120.636 117.678 2.958 19231 6459 1 12 . 1 1 21 21 VAL HA H 21 5.197 5.197 4.947 0.250 19231 6460 1 12 . 1 1 21 21 VAL C C 21 174.036 174.036 174.976 -0.940 19231 6461 1 12 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.345 -0.474 19231 6462 1 12 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.517 -0.069 19231 6463 1 12 . 1 1 21 21 VAL H H 21 8.466 8.466 8.183 0.283 19231 6464 1 12 . 1 1 22 22 TRP N N 22 126.709 126.709 126.319 0.390 19231 6465 1 12 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.101 0.029 19231 6466 1 12 . 1 1 22 22 TRP C C 22 174.877 174.877 174.737 0.140 19231 6467 1 12 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.064 1.003 19231 6468 1 12 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.225 -0.088 19231 6469 1 12 . 1 1 22 22 TRP H H 22 9.596 9.596 8.631 0.965 19231 6470 1 12 . 1 1 23 23 LEU N N 23 123.443 123.443 120.792 2.651 19231 6471 1 12 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.752 0.282 19231 6472 1 12 . 1 1 23 23 LEU C C 23 177.552 177.552 176.942 0.610 19231 6473 1 12 . 1 1 23 23 LEU CA C 23 53.427 53.427 54.593 -1.166 19231 6474 1 12 . 1 1 23 23 LEU CB C 23 43.922 43.922 44.948 -1.026 19231 6475 1 12 . 1 1 23 23 LEU H H 23 8.834 8.834 9.158 -0.324 19231 6476 1 12 . 1 1 24 24 GLY N N 24 117.546 117.546 116.922 0.624 19231 6477 1 12 . 1 1 24 24 GLY C C 24 174.915 174.915 175.022 -0.107 19231 6478 1 12 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.826 1.394 19231 6479 1 12 . 1 1 24 24 GLY H H 24 9.401 9.401 8.757 0.644 19231 6480 1 12 . 1 1 25 25 GLU N N 25 124.565 124.565 112.908 11.657 19231 6481 1 12 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.840 0.488 19231 6482 1 12 . 1 1 25 25 GLU C C 25 176.350 176.350 175.809 0.541 19231 6483 1 12 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.150 -1.750 19231 6484 1 12 . 1 1 25 25 GLU CB C 25 29.811 29.811 28.401 1.410 19231 6485 1 12 . 1 1 25 25 GLU H H 25 9.051 9.051 8.908 0.143 19231 6486 1 12 . 1 1 26 26 THR N N 26 117.538 117.538 110.930 6.608 19231 6487 1 12 . 1 1 26 26 THR HA H 26 4.305 4.305 4.663 -0.358 19231 6488 1 12 . 1 1 26 26 THR C C 26 173.226 173.226 173.787 -0.561 19231 6489 1 12 . 1 1 26 26 THR CA C 26 62.118 62.118 60.266 1.852 19231 6490 1 12 . 1 1 26 26 THR CB C 26 70.399 70.399 71.070 -0.672 19231 6491 1 12 . 1 1 26 26 THR H H 26 8.140 8.140 7.552 0.588 19231 6492 1 12 . 1 1 27 27 ALA N N 27 131.183 131.183 128.026 3.157 19231 6493 1 12 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.938 0.152 19231 6494 1 12 . 1 1 27 27 ALA C C 27 177.483 177.483 176.820 0.663 19231 6495 1 12 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.271 0.163 19231 6496 1 12 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.828 -0.913 19231 6497 1 12 . 1 1 27 27 ALA H H 27 8.937 8.937 8.669 0.268 19231 6498 1 12 . 1 1 28 28 LEU N N 28 124.160 124.160 125.699 -1.539 19231 6499 1 12 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.345 -0.009 19231 6500 1 12 . 1 1 28 28 LEU C C 28 176.114 176.114 176.194 -0.080 19231 6501 1 12 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.841 -1.235 19231 6502 1 12 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.571 -0.249 19231 6503 1 12 . 1 1 28 28 LEU H H 28 8.663 8.663 7.806 0.857 19231 6504 1 12 . 1 1 29 29 ASP N N 29 124.715 124.715 126.723 -2.008 19231 6505 1 12 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.735 -0.025 19231 6506 1 12 . 1 1 29 29 ASP C C 29 174.721 174.721 175.220 -0.499 19231 6507 1 12 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.257 0.067 19231 6508 1 12 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.061 0.275 19231 6509 1 12 . 1 1 29 29 ASP H H 29 8.690 8.690 8.503 0.187 19231 6510 1 12 . 1 1 30 30 LEU N N 30 123.472 123.472 120.237 3.235 19231 6511 1 12 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.818 0.013 19231 6512 1 12 . 1 1 30 30 LEU C C 30 177.944 177.944 176.291 1.653 19231 6513 1 12 . 1 1 30 30 LEU CA C 30 52.937 52.937 52.985 -0.048 19231 6514 1 12 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.736 -0.756 19231 6515 1 12 . 1 1 30 30 LEU H H 30 7.969 7.969 7.865 0.104 19231 6516 1 12 . 1 1 31 31 THR N N 31 115.969 115.969 112.310 3.659 19231 6517 1 12 . 1 1 31 31 THR HA H 31 4.700 4.700 4.457 0.243 19231 6518 1 12 . 1 1 31 31 THR C C 31 173.645 173.645 174.749 -1.104 19231 6519 1 12 . 1 1 31 31 THR CA C 31 60.704 60.704 60.684 0.021 19231 6520 1 12 . 1 1 31 31 THR CB C 31 67.869 67.869 68.593 -0.724 19231 6521 1 12 . 1 1 31 31 THR H H 31 8.864 8.864 8.700 0.164 19231 6522 1 12 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.071 0.209 19231 6523 1 12 . 1 1 32 32 PRO C C 32 178.657 178.657 178.716 -0.059 19231 6524 1 12 . 1 1 32 32 PRO CA C 32 66.504 66.504 66.127 0.377 19231 6525 1 12 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.765 0.214 19231 6526 1 12 . 1 1 33 33 LYS N N 33 116.417 116.417 116.032 0.385 19231 6527 1 12 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.878 0.046 19231 6528 1 12 . 1 1 33 33 LYS C C 33 178.084 178.084 178.781 -0.697 19231 6529 1 12 . 1 1 33 33 LYS CA C 33 59.665 59.665 60.076 -0.411 19231 6530 1 12 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.837 0.735 19231 6531 1 12 . 1 1 33 33 LYS H H 33 8.044 8.044 8.372 -0.328 19231 6532 1 12 . 1 1 34 34 GLU N N 34 118.272 118.272 118.721 -0.449 19231 6533 1 12 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.969 -0.349 19231 6534 1 12 . 1 1 34 34 GLU C C 34 178.512 178.512 178.854 -0.342 19231 6535 1 12 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.216 0.328 19231 6536 1 12 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.373 1.148 19231 6537 1 12 . 1 1 34 34 GLU H H 34 7.376 7.376 7.825 -0.449 19231 6538 1 12 . 1 1 35 35 TYR N N 35 118.351 118.351 119.485 -1.134 19231 6539 1 12 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.123 -0.426 19231 6540 1 12 . 1 1 35 35 TYR C C 35 177.597 177.597 177.135 0.462 19231 6541 1 12 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.460 0.841 19231 6542 1 12 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.057 -0.123 19231 6543 1 12 . 1 1 35 35 TYR H H 35 8.950 8.950 7.556 1.394 19231 6544 1 12 . 1 1 36 36 ALA N N 36 123.913 123.913 122.393 1.520 19231 6545 1 12 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.107 -0.364 19231 6546 1 12 . 1 1 36 36 ALA C C 36 180.061 180.061 178.907 1.154 19231 6547 1 12 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.836 0.577 19231 6548 1 12 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.086 -0.024 19231 6549 1 12 . 1 1 36 36 ALA H H 36 8.147 8.147 7.824 0.323 19231 6550 1 12 . 1 1 37 37 LEU N N 37 116.924 116.924 120.935 -4.011 19231 6551 1 12 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.283 -0.373 19231 6552 1 12 . 1 1 37 37 LEU C C 37 177.760 177.760 178.846 -1.086 19231 6553 1 12 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.724 -0.388 19231 6554 1 12 . 1 1 37 37 LEU CB C 37 43.043 43.043 42.097 0.946 19231 6555 1 12 . 1 1 37 37 LEU H H 37 7.651 7.651 7.726 -0.075 19231 6556 1 12 . 1 1 38 38 LEU N N 38 118.232 118.232 119.256 -1.024 19231 6557 1 12 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.872 -0.002 19231 6558 1 12 . 1 1 38 38 LEU C C 38 178.524 178.524 178.380 0.144 19231 6559 1 12 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.267 -0.871 19231 6560 1 12 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.334 -0.205 19231 6561 1 12 . 1 1 38 38 LEU H H 38 8.550 8.550 8.635 -0.085 19231 6562 1 12 . 1 1 39 39 SER N N 39 113.045 113.045 114.471 -1.426 19231 6563 1 12 . 1 1 39 39 SER HA H 39 3.700 3.700 3.978 -0.278 19231 6564 1 12 . 1 1 39 39 SER C C 39 175.854 175.854 176.882 -1.028 19231 6565 1 12 . 1 1 39 39 SER CA C 39 62.126 62.126 61.996 0.130 19231 6566 1 12 . 1 1 39 39 SER CB C 39 68.227 68.227 62.908 5.319 19231 6567 1 12 . 1 1 39 39 SER H H 39 8.540 8.540 8.108 0.432 19231 6568 1 12 . 1 1 40 40 ARG N N 40 121.521 121.521 121.350 0.171 19231 6569 1 12 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.175 -0.165 19231 6570 1 12 . 1 1 40 40 ARG C C 40 178.731 178.731 178.453 0.278 19231 6571 1 12 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.376 -0.064 19231 6572 1 12 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.977 -1.452 19231 6573 1 12 . 1 1 40 40 ARG H H 40 7.112 7.112 7.574 -0.462 19231 6574 1 12 . 1 1 41 41 LEU N N 41 115.939 115.939 121.193 -5.254 19231 6575 1 12 . 1 1 41 41 LEU HA H 41 3.992 3.992 4.032 -0.040 19231 6576 1 12 . 1 1 41 41 LEU C C 41 180.049 180.049 178.259 1.790 19231 6577 1 12 . 1 1 41 41 LEU CA C 41 57.836 57.836 57.799 0.037 19231 6578 1 12 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.964 0.052 19231 6579 1 12 . 1 1 41 41 LEU H H 41 7.960 7.960 7.953 0.007 19231 6580 1 12 . 1 1 42 42 MET N N 42 116.335 116.335 116.216 0.119 19231 6581 1 12 . 1 1 42 42 MET HA H 42 3.877 3.877 4.046 -0.169 19231 6582 1 12 . 1 1 42 42 MET C C 42 178.748 178.748 178.758 -0.010 19231 6583 1 12 . 1 1 42 42 MET CA C 42 59.530 59.530 58.647 0.883 19231 6584 1 12 . 1 1 42 42 MET CB C 42 33.449 33.449 32.751 0.698 19231 6585 1 12 . 1 1 42 42 MET H H 42 8.825 8.825 8.361 0.464 19231 6586 1 12 . 1 1 43 43 MET N N 43 119.000 119.000 119.580 -0.580 19231 6587 1 12 . 1 1 43 43 MET HA H 43 4.137 4.137 4.211 -0.074 19231 6588 1 12 . 1 1 43 43 MET C C 43 176.813 176.813 176.251 0.562 19231 6589 1 12 . 1 1 43 43 MET CA C 43 58.405 58.405 58.376 0.029 19231 6590 1 12 . 1 1 43 43 MET CB C 43 32.382 32.382 32.880 -0.499 19231 6591 1 12 . 1 1 43 43 MET H H 43 8.250 8.250 7.501 0.749 19231 6592 1 12 . 1 1 44 44 LYS N N 44 117.715 117.715 117.666 0.049 19231 6593 1 12 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.542 0.089 19231 6594 1 12 . 1 1 44 44 LYS C C 44 175.226 175.226 175.139 0.087 19231 6595 1 12 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.831 -2.005 19231 6596 1 12 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.280 -0.809 19231 6597 1 12 . 1 1 44 44 LYS H H 44 7.088 7.088 7.295 -0.207 19231 6598 1 12 . 1 1 45 45 ALA N N 45 122.613 122.613 121.982 0.631 19231 6599 1 12 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.366 -0.047 19231 6600 1 12 . 1 1 45 45 ALA C C 45 178.994 178.994 178.369 0.625 19231 6601 1 12 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.412 1.262 19231 6602 1 12 . 1 1 45 45 ALA CB C 45 19.397 19.397 19.141 0.256 19231 6603 1 12 . 1 1 45 45 ALA H H 45 6.952 6.952 7.957 -1.005 19231 6604 1 12 . 1 1 46 46 GLY N N 46 109.561 109.561 111.279 -1.718 19231 6605 1 12 . 1 1 46 46 GLY C C 46 173.547 173.547 174.219 -0.672 19231 6606 1 12 . 1 1 46 46 GLY CA C 46 45.466 45.466 44.933 0.533 19231 6607 1 12 . 1 1 46 46 GLY H H 46 8.944 8.944 8.866 0.078 19231 6608 1 12 . 1 1 47 47 SER N N 47 116.886 116.886 117.577 -0.691 19231 6609 1 12 . 1 1 47 47 SER HA H 47 5.130 5.130 4.914 0.216 19231 6610 1 12 . 1 1 47 47 SER C C 47 170.481 170.481 172.419 -1.938 19231 6611 1 12 . 1 1 47 47 SER CA C 47 55.988 55.988 55.772 0.216 19231 6612 1 12 . 1 1 47 47 SER CB C 47 65.098 65.098 64.947 0.151 19231 6613 1 12 . 1 1 47 47 SER H H 47 8.759 8.759 7.645 1.114 19231 6614 1 12 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.862 -0.444 19231 6615 1 12 . 1 1 48 48 PRO C C 48 175.854 175.854 176.260 -0.406 19231 6616 1 12 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.657 -0.212 19231 6617 1 12 . 1 1 48 48 PRO CB C 48 32.909 32.909 31.800 1.109 19231 6618 1 12 . 1 1 49 49 VAL N N 49 124.173 124.173 124.406 -0.233 19231 6619 1 12 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.332 0.079 19231 6620 1 12 . 1 1 49 49 VAL C C 49 175.186 175.186 175.582 -0.396 19231 6621 1 12 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.115 0.344 19231 6622 1 12 . 1 1 49 49 VAL CB C 49 33.496 33.496 34.218 -0.722 19231 6623 1 12 . 1 1 49 49 VAL H H 49 9.235 9.235 8.870 0.365 19231 6624 1 12 . 1 1 50 50 HIS N N 50 128.035 128.035 125.848 2.187 19231 6625 1 12 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.246 -0.676 19231 6626 1 12 . 1 1 50 50 HIS C C 50 177.130 177.130 175.473 1.657 19231 6627 1 12 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.572 2.881 19231 6628 1 12 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.829 0.713 19231 6629 1 12 . 1 1 50 50 HIS H H 50 8.791 8.791 8.867 -0.076 19231 6630 1 12 . 1 1 51 51 ARG N N 51 125.631 125.631 128.120 -2.489 19231 6631 1 12 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.917 -0.037 19231 6632 1 12 . 1 1 51 51 ARG C C 51 176.786 176.786 177.282 -0.496 19231 6633 1 12 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.237 0.842 19231 6634 1 12 . 1 1 51 51 ARG CB C 51 30.150 30.150 30.237 -0.087 19231 6635 1 12 . 1 1 51 51 ARG H H 51 8.544 8.544 8.559 -0.015 19231 6636 1 12 . 1 1 52 52 GLU N N 52 120.964 120.964 119.452 1.512 19231 6637 1 12 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.863 0.217 19231 6638 1 12 . 1 1 52 52 GLU C C 52 179.334 179.334 178.659 0.675 19231 6639 1 12 . 1 1 52 52 GLU CA C 52 59.769 59.769 59.153 0.616 19231 6640 1 12 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.684 0.544 19231 6641 1 12 . 1 1 52 52 GLU H H 52 10.831 10.831 7.253 3.578 19231 6642 1 12 . 1 1 53 53 ILE N N 53 119.337 119.337 118.786 0.551 19231 6643 1 12 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.700 0.171 19231 6644 1 12 . 1 1 53 53 ILE C C 53 178.080 178.080 178.136 -0.056 19231 6645 1 12 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.339 -1.229 19231 6646 1 12 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.617 -0.121 19231 6647 1 12 . 1 1 53 53 ILE H H 53 7.239 7.239 7.439 -0.200 19231 6648 1 12 . 1 1 54 54 LEU N N 54 118.502 118.502 118.513 -0.011 19231 6649 1 12 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.295 -0.135 19231 6650 1 12 . 1 1 54 54 LEU C C 54 178.676 178.676 179.122 -0.446 19231 6651 1 12 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.226 -0.152 19231 6652 1 12 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.425 -0.102 19231 6653 1 12 . 1 1 54 54 LEU H H 54 7.198 7.198 7.386 -0.188 19231 6654 1 12 . 1 1 55 55 TYR N N 55 117.114 117.114 120.180 -3.066 19231 6655 1 12 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.177 -0.042 19231 6656 1 12 . 1 1 55 55 TYR C C 55 177.987 177.987 177.432 0.555 19231 6657 1 12 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.392 -0.255 19231 6658 1 12 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.623 -0.516 19231 6659 1 12 . 1 1 55 55 TYR H H 55 8.872 8.872 7.941 0.931 19231 6660 1 12 . 1 1 56 56 ASN N N 56 116.720 116.720 118.093 -1.373 19231 6661 1 12 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.589 -0.104 19231 6662 1 12 . 1 1 56 56 ASN C C 56 177.439 177.439 175.802 1.637 19231 6663 1 12 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.834 0.179 19231 6664 1 12 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.040 0.250 19231 6665 1 12 . 1 1 56 56 ASN H H 56 7.796 7.796 8.044 -0.248 19231 6666 1 12 . 1 1 57 57 ASP N N 57 118.532 118.532 119.821 -1.289 19231 6667 1 12 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.478 0.062 19231 6668 1 12 . 1 1 57 57 ASP C C 57 177.886 177.886 177.603 0.283 19231 6669 1 12 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.325 0.761 19231 6670 1 12 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.642 0.238 19231 6671 1 12 . 1 1 57 57 ASP H H 57 7.842 7.842 7.403 0.439 19231 6672 1 12 . 1 1 58 58 ILE N N 58 109.975 109.975 117.609 -7.634 19231 6673 1 12 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.720 0.580 19231 6674 1 12 . 1 1 58 58 ILE C C 58 175.916 175.916 176.002 -0.086 19231 6675 1 12 . 1 1 58 58 ILE CA C 58 61.340 61.340 63.421 -2.081 19231 6676 1 12 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.502 0.329 19231 6677 1 12 . 1 1 58 58 ILE H H 58 7.277 7.277 7.323 -0.046 19231 6678 1 12 . 1 1 59 59 TYR N N 59 122.761 122.761 115.972 6.789 19231 6679 1 12 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.591 -0.295 19231 6680 1 12 . 1 1 59 59 TYR C C 59 176.037 176.037 175.175 0.862 19231 6681 1 12 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.816 2.354 19231 6682 1 12 . 1 1 59 59 TYR CB C 59 38.277 38.277 40.858 -2.581 19231 6683 1 12 . 1 1 59 59 TYR H H 59 7.788 7.788 8.064 -0.276 19231 6684 1 12 . 1 1 60 60 SER N N 60 117.350 117.350 112.590 4.760 19231 6685 1 12 . 1 1 60 60 SER HA H 60 4.292 4.292 4.411 -0.119 19231 6686 1 12 . 1 1 60 60 SER C C 60 174.206 174.206 174.099 0.107 19231 6687 1 12 . 1 1 60 60 SER CA C 60 57.976 57.976 59.354 -1.378 19231 6688 1 12 . 1 1 60 60 SER CB C 60 63.884 63.884 62.937 0.947 19231 6689 1 12 . 1 1 60 60 SER H H 60 7.721 7.721 8.433 -0.712 19231 6690 1 12 . 1 1 61 61 TRP N N 61 122.170 122.170 122.954 -0.784 19231 6691 1 12 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.684 -0.207 19231 6692 1 12 . 1 1 61 61 TRP C C 61 175.798 175.798 175.720 0.078 19231 6693 1 12 . 1 1 61 61 TRP CA C 61 57.863 57.863 58.015 -0.152 19231 6694 1 12 . 1 1 61 61 TRP CB C 61 28.826 28.826 29.907 -1.081 19231 6695 1 12 . 1 1 61 61 TRP H H 61 7.990 7.990 8.247 -0.257 19231 6696 1 12 . 1 1 62 62 ASP N N 62 119.118 119.118 117.345 1.773 19231 6697 1 12 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.489 -0.049 19231 6698 1 12 . 1 1 62 62 ASP C C 62 175.559 175.559 176.025 -0.466 19231 6699 1 12 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.368 -1.557 19231 6700 1 12 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.780 -0.064 19231 6701 1 12 . 1 1 62 62 ASP H H 62 7.900 7.900 8.303 -0.403 19231 6702 1 12 . 1 1 63 63 ASN N N 63 117.586 117.586 122.052 -4.466 19231 6703 1 12 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.714 -0.168 19231 6704 1 12 . 1 1 63 63 ASN C C 63 174.737 174.737 175.738 -1.001 19231 6705 1 12 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.599 -1.441 19231 6706 1 12 . 1 1 63 63 ASN CB C 63 38.743 38.743 39.336 -0.593 19231 6707 1 12 . 1 1 63 63 ASN H H 63 8.080 8.080 8.756 -0.676 19231 6708 1 12 . 1 1 64 64 GLU N N 64 121.831 121.831 118.485 3.346 19231 6709 1 12 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.611 -0.031 19231 6710 1 12 . 1 1 64 64 GLU C C 64 174.706 174.706 174.176 0.530 19231 6711 1 12 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.179 -0.419 19231 6712 1 12 . 1 1 64 64 GLU CB C 64 29.829 29.829 30.123 -0.294 19231 6713 1 12 . 1 1 64 64 GLU H H 64 8.224 8.224 8.428 -0.204 19231 6714 1 12 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.638 -0.244 19231 6715 1 12 . 1 1 65 65 PRO C C 65 177.312 177.312 176.397 0.915 19231 6716 1 12 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.724 1.099 19231 6717 1 12 . 1 1 65 65 PRO CB C 65 31.871 31.871 32.008 -0.136 19231 6718 1 12 . 1 1 66 66 ALA N N 66 122.755 122.755 127.860 -5.105 19231 6719 1 12 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.177 0.173 19231 6720 1 12 . 1 1 66 66 ALA C C 66 178.352 178.352 177.650 0.702 19231 6721 1 12 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.813 -0.965 19231 6722 1 12 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.369 -0.283 19231 6723 1 12 . 1 1 66 66 ALA H H 66 8.465 8.465 8.862 -0.397 19231 6724 1 12 . 1 1 67 67 THR N N 67 111.079 111.079 110.286 0.793 19231 6725 1 12 . 1 1 67 67 THR HA H 67 4.287 4.287 4.280 0.007 19231 6726 1 12 . 1 1 67 67 THR C C 67 175.040 175.040 172.736 2.304 19231 6727 1 12 . 1 1 67 67 THR CA C 67 62.505 62.505 62.398 0.107 19231 6728 1 12 . 1 1 67 67 THR CB C 67 69.187 69.187 69.291 -0.104 19231 6729 1 12 . 1 1 67 67 THR H H 67 8.002 8.002 7.940 0.062 19231 6730 1 12 . 1 1 68 68 ASN N N 68 120.768 120.768 122.806 -2.038 19231 6731 1 12 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.520 0.459 19231 6732 1 12 . 1 1 68 68 ASN C C 68 175.250 175.250 175.047 0.203 19231 6733 1 12 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.032 -0.996 19231 6734 1 12 . 1 1 68 68 ASN CB C 68 38.678 38.678 37.557 1.121 19231 6735 1 12 . 1 1 68 68 ASN H H 68 8.280 8.280 8.426 -0.146 19231 6736 1 12 . 1 1 69 69 THR N N 69 112.288 112.288 115.686 -3.398 19231 6737 1 12 . 1 1 69 69 THR HA H 69 4.480 4.480 4.252 0.228 19231 6738 1 12 . 1 1 69 69 THR C C 69 175.830 175.830 174.622 1.208 19231 6739 1 12 . 1 1 69 69 THR CA C 69 62.328 62.328 62.759 -0.431 19231 6740 1 12 . 1 1 69 69 THR CB C 69 69.927 69.927 69.511 0.416 19231 6741 1 12 . 1 1 69 69 THR H H 69 7.691 7.691 7.668 0.023 19231 6742 1 12 . 1 1 70 70 LEU N N 70 123.384 123.384 121.533 1.851 19231 6743 1 12 . 1 1 70 70 LEU HA H 70 4.080 4.080 3.915 0.165 19231 6744 1 12 . 1 1 70 70 LEU C C 70 177.457 177.457 178.074 -0.617 19231 6745 1 12 . 1 1 70 70 LEU CA C 70 58.608 58.608 57.751 0.857 19231 6746 1 12 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.288 0.206 19231 6747 1 12 . 1 1 70 70 LEU H H 70 8.843 8.843 8.205 0.638 19231 6748 1 12 . 1 1 71 71 GLU N N 71 116.878 116.878 118.492 -1.614 19231 6749 1 12 . 1 1 71 71 GLU HA H 71 3.705 3.705 3.911 -0.206 19231 6750 1 12 . 1 1 71 71 GLU C C 71 179.305 179.305 178.524 0.781 19231 6751 1 12 . 1 1 71 71 GLU CA C 71 61.171 61.171 58.915 2.256 19231 6752 1 12 . 1 1 71 71 GLU CB C 71 28.828 28.828 28.737 0.091 19231 6753 1 12 . 1 1 71 71 GLU H H 71 8.652 8.652 8.379 0.273 19231 6754 1 12 . 1 1 72 72 VAL N N 72 121.419 121.419 119.487 1.932 19231 6755 1 12 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.433 0.252 19231 6756 1 12 . 1 1 72 72 VAL C C 72 177.680 177.680 178.136 -0.456 19231 6757 1 12 . 1 1 72 72 VAL CA C 72 66.111 66.111 65.764 0.346 19231 6758 1 12 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.758 -0.291 19231 6759 1 12 . 1 1 72 72 VAL H H 72 7.559 7.559 7.018 0.541 19231 6760 1 12 . 1 1 73 73 HIS N N 73 118.272 118.272 118.767 -0.495 19231 6761 1 12 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.285 0.175 19231 6762 1 12 . 1 1 73 73 HIS C C 73 178.616 178.616 178.120 0.496 19231 6763 1 12 . 1 1 73 73 HIS CA C 73 60.206 60.206 58.233 1.973 19231 6764 1 12 . 1 1 73 73 HIS CB C 73 31.269 31.269 28.776 2.493 19231 6765 1 12 . 1 1 73 73 HIS H H 73 7.420 7.420 7.434 -0.014 19231 6766 1 12 . 1 1 74 74 ILE N N 74 118.940 118.940 120.161 -1.221 19231 6767 1 12 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.687 -0.117 19231 6768 1 12 . 1 1 74 74 ILE C C 74 177.819 177.819 177.829 -0.010 19231 6769 1 12 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.668 -3.725 19231 6770 1 12 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.620 -3.345 19231 6771 1 12 . 1 1 74 74 ILE H H 74 8.515 8.515 8.245 0.270 19231 6772 1 12 . 1 1 75 75 HIS N N 75 120.484 120.484 118.565 1.919 19231 6773 1 12 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.157 0.113 19231 6774 1 12 . 1 1 75 75 HIS C C 75 177.445 177.445 177.520 -0.075 19231 6775 1 12 . 1 1 75 75 HIS CA C 75 60.116 60.116 59.182 0.934 19231 6776 1 12 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.767 -0.955 19231 6777 1 12 . 1 1 75 75 HIS H H 75 8.189 8.189 8.063 0.126 19231 6778 1 12 . 1 1 76 76 ASN N N 76 119.098 119.098 118.572 0.526 19231 6779 1 12 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.709 -0.320 19231 6780 1 12 . 1 1 76 76 ASN C C 76 178.615 178.615 177.834 0.781 19231 6781 1 12 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.651 -0.146 19231 6782 1 12 . 1 1 76 76 ASN CB C 76 37.309 37.309 39.267 -1.958 19231 6783 1 12 . 1 1 76 76 ASN H H 76 8.456 8.456 8.293 0.163 19231 6784 1 12 . 1 1 77 77 LEU N N 77 120.517 120.517 121.005 -0.488 19231 6785 1 12 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.228 -0.277 19231 6786 1 12 . 1 1 77 77 LEU C C 77 178.945 178.945 178.049 0.896 19231 6787 1 12 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.540 0.456 19231 6788 1 12 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.536 1.570 19231 6789 1 12 . 1 1 77 77 LEU H H 77 8.579 8.579 8.273 0.306 19231 6790 1 12 . 1 1 78 78 ARG N N 78 119.521 119.521 120.155 -0.634 19231 6791 1 12 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.837 -0.177 19231 6792 1 12 . 1 1 78 78 ARG C C 78 178.766 178.766 178.281 0.485 19231 6793 1 12 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.094 -0.659 19231 6794 1 12 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.277 0.557 19231 6795 1 12 . 1 1 78 78 ARG H H 78 8.687 8.687 8.950 -0.263 19231 6796 1 12 . 1 1 79 79 GLU N N 79 116.882 116.882 116.568 0.314 19231 6797 1 12 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.130 -0.201 19231 6798 1 12 . 1 1 79 79 GLU C C 79 178.226 178.226 178.602 -0.376 19231 6799 1 12 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.716 -0.050 19231 6800 1 12 . 1 1 79 79 GLU CB C 79 29.551 29.551 28.996 0.555 19231 6801 1 12 . 1 1 79 79 GLU H H 79 7.717 7.717 7.937 -0.220 19231 6802 1 12 . 1 1 80 80 LYS N N 80 116.574 116.574 118.466 -1.892 19231 6803 1 12 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.125 0.127 19231 6804 1 12 . 1 1 80 80 LYS C C 80 178.413 178.413 178.338 0.075 19231 6805 1 12 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.783 0.278 19231 6806 1 12 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.913 1.525 19231 6807 1 12 . 1 1 80 80 LYS H H 80 7.419 7.419 7.577 -0.158 19231 6808 1 12 . 1 1 81 81 ILE N N 81 108.393 108.393 111.158 -2.765 19231 6809 1 12 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.030 0.654 19231 6810 1 12 . 1 1 81 81 ILE C C 81 174.986 174.986 176.514 -1.528 19231 6811 1 12 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.953 -0.807 19231 6812 1 12 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.468 0.744 19231 6813 1 12 . 1 1 81 81 ILE H H 81 8.162 8.162 7.633 0.529 19231 6814 1 12 . 1 1 82 82 GLY N N 82 113.636 113.636 109.744 3.892 19231 6815 1 12 . 1 1 82 82 GLY C C 82 175.419 175.419 175.059 0.360 19231 6816 1 12 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.904 -0.048 19231 6817 1 12 . 1 1 82 82 GLY H H 82 7.852 7.852 7.777 0.075 19231 6818 1 12 . 1 1 83 83 LYS N N 83 125.732 125.732 122.627 3.105 19231 6819 1 12 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.917 -0.187 19231 6820 1 12 . 1 1 83 83 LYS C C 83 178.177 178.177 178.336 -0.159 19231 6821 1 12 . 1 1 83 83 LYS CA C 83 59.922 59.922 59.036 0.886 19231 6822 1 12 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.778 0.588 19231 6823 1 12 . 1 1 83 83 LYS H H 83 8.511 8.511 8.012 0.499 19231 6824 1 12 . 1 1 84 84 SER N N 84 110.852 110.852 116.424 -5.572 19231 6825 1 12 . 1 1 84 84 SER HA H 84 4.346 4.346 4.128 0.218 19231 6826 1 12 . 1 1 84 84 SER C C 84 175.008 175.008 176.113 -1.105 19231 6827 1 12 . 1 1 84 84 SER CA C 84 58.935 58.935 60.995 -2.060 19231 6828 1 12 . 1 1 84 84 SER CB C 84 63.140 63.140 62.847 0.293 19231 6829 1 12 . 1 1 84 84 SER H H 84 8.438 8.438 8.137 0.301 19231 6830 1 12 . 1 1 85 85 ARG N N 85 118.561 118.561 119.195 -0.634 19231 6831 1 12 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.385 -0.155 19231 6832 1 12 . 1 1 85 85 ARG C C 85 176.208 176.208 175.715 0.493 19231 6833 1 12 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.672 1.484 19231 6834 1 12 . 1 1 85 85 ARG CB C 85 30.388 30.388 29.940 0.448 19231 6835 1 12 . 1 1 85 85 ARG H H 85 7.656 7.656 7.736 -0.080 19231 6836 1 12 . 1 1 86 86 ILE N N 86 113.200 113.200 117.237 -4.037 19231 6837 1 12 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.316 0.579 19231 6838 1 12 . 1 1 86 86 ILE C C 86 175.573 175.573 175.145 0.428 19231 6839 1 12 . 1 1 86 86 ILE CA C 86 59.461 59.461 60.132 -0.671 19231 6840 1 12 . 1 1 86 86 ILE CB C 86 39.188 39.188 42.017 -2.829 19231 6841 1 12 . 1 1 86 86 ILE H H 86 6.880 6.880 7.767 -0.887 19231 6842 1 12 . 1 1 87 87 ARG N N 87 128.727 128.727 121.999 6.728 19231 6843 1 12 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.794 0.003 19231 6844 1 12 . 1 1 87 87 ARG C C 87 176.501 176.501 175.017 1.484 19231 6845 1 12 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.888 -1.224 19231 6846 1 12 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.997 -1.986 19231 6847 1 12 . 1 1 87 87 ARG H H 87 9.786 9.786 8.342 1.444 19231 6848 1 12 . 1 1 88 88 THR N N 88 122.821 122.821 115.314 7.507 19231 6849 1 12 . 1 1 88 88 THR HA H 88 4.138 4.138 4.030 0.108 19231 6850 1 12 . 1 1 88 88 THR C C 88 173.802 173.802 174.262 -0.460 19231 6851 1 12 . 1 1 88 88 THR CA C 88 63.514 63.514 60.947 2.567 19231 6852 1 12 . 1 1 88 88 THR CB C 88 68.908 68.908 69.472 -0.564 19231 6853 1 12 . 1 1 88 88 THR H H 88 9.421 9.421 8.377 1.044 19231 6854 1 12 . 1 1 89 89 VAL N N 89 130.400 130.400 125.303 5.097 19231 6855 1 12 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.179 0.001 19231 6856 1 12 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.306 0.072 19231 6857 1 12 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.702 -1.816 19231 6858 1 12 . 1 1 89 89 VAL H H 89 8.400 8.400 8.008 0.392 19231 6859 1 12 . 1 1 91 91 GLY C C 91 173.530 173.530 173.398 0.132 19231 6860 1 12 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.690 -0.165 19231 6861 1 12 . 1 1 92 92 PHE N N 92 119.601 119.601 119.327 0.274 19231 6862 1 12 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.797 -0.356 19231 6863 1 12 . 1 1 92 92 PHE C C 92 174.744 174.744 174.084 0.660 19231 6864 1 12 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.430 1.624 19231 6865 1 12 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.718 2.715 19231 6866 1 12 . 1 1 92 92 PHE H H 92 8.332 8.332 7.953 0.379 19231 6867 1 12 . 1 1 93 93 GLY N N 93 105.445 105.445 105.633 -0.188 19231 6868 1 12 . 1 1 93 93 GLY C C 93 171.776 171.776 172.925 -1.149 19231 6869 1 12 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.179 2.536 19231 6870 1 12 . 1 1 93 93 GLY H H 93 8.377 8.377 7.724 0.653 19231 6871 1 12 . 1 1 94 94 TYR N N 94 122.471 122.471 116.588 5.883 19231 6872 1 12 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.760 0.670 19231 6873 1 12 . 1 1 94 94 TYR C C 94 172.889 172.889 173.876 -0.987 19231 6874 1 12 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.904 -0.535 19231 6875 1 12 . 1 1 94 94 TYR CB C 94 44.052 44.052 44.005 0.047 19231 6876 1 12 . 1 1 94 94 TYR H H 94 8.475 8.475 8.183 0.292 19231 6877 1 12 . 1 1 95 95 MET N N 95 118.643 118.643 119.621 -0.978 19231 6878 1 12 . 1 1 95 95 MET HA H 95 4.890 4.890 4.860 0.030 19231 6879 1 12 . 1 1 95 95 MET C C 95 173.438 173.438 173.748 -0.310 19231 6880 1 12 . 1 1 95 95 MET CA C 95 54.125 54.125 55.485 -1.360 19231 6881 1 12 . 1 1 95 95 MET CB C 95 39.364 39.364 36.938 2.426 19231 6882 1 12 . 1 1 95 95 MET H H 95 8.936 8.936 8.491 0.445 19231 6883 1 12 . 1 1 96 96 LEU N N 96 130.194 130.194 126.722 3.472 19231 6884 1 12 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.615 0.465 19231 6885 1 12 . 1 1 96 96 LEU C C 96 174.912 174.912 176.453 -1.541 19231 6886 1 12 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.818 -0.336 19231 6887 1 12 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.944 0.812 19231 6888 1 12 . 1 1 96 96 LEU H H 96 9.848 9.848 8.739 1.109 19231 6889 1 12 . 1 1 97 97 ALA N N 97 131.168 131.168 125.743 5.425 19231 6890 1 12 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.146 0.190 19231 6891 1 12 . 1 1 97 97 ALA C C 97 176.560 176.560 178.055 -1.495 19231 6892 1 12 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.937 -1.042 19231 6893 1 12 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.405 0.606 19231 6894 1 12 . 1 1 97 97 ALA H H 97 8.681 8.681 8.317 0.364 19231 6895 1 12 . 1 1 98 98 ASN N N 98 118.268 118.268 121.433 -3.165 19231 6896 1 12 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.393 0.287 19231 6897 1 12 . 1 1 98 98 ASN C C 98 174.939 174.939 175.274 -0.335 19231 6898 1 12 . 1 1 98 98 ASN CA C 98 52.429 52.429 55.851 -3.422 19231 6899 1 12 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.791 0.121 19231 6900 1 12 . 1 1 98 98 ASN H H 98 8.654 8.654 8.658 -0.004 19231 6901 1 12 . 1 1 99 99 ASN N N 99 117.488 117.488 114.324 3.164 19231 6902 1 12 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.879 -0.079 19231 6903 1 12 . 1 1 99 99 ASN C C 99 174.744 174.744 174.900 -0.156 19231 6904 1 12 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.167 -0.119 19231 6905 1 12 . 1 1 99 99 ASN CB C 99 39.039 39.039 39.240 -0.201 19231 6906 1 12 . 1 1 99 99 ASN H H 99 8.131 8.131 8.314 -0.183 19231 6907 1 12 . 1 1 100 100 ILE N N 100 118.881 118.881 118.704 0.177 19231 6908 1 12 . 1 1 100 100 ILE HA H 100 4.240 4.240 4.019 0.221 19231 6909 1 12 . 1 1 100 100 ILE C C 100 175.769 175.769 176.381 -0.612 19231 6910 1 12 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.185 -1.181 19231 6911 1 12 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.893 0.786 19231 6912 1 12 . 1 1 100 100 ILE H H 100 8.139 8.139 8.004 0.135 19231 6913 1 12 . 1 1 101 101 ASP N N 101 123.516 123.516 119.523 3.993 19231 6914 1 12 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.507 0.213 19231 6915 1 12 . 1 1 101 101 ASP C C 101 176.210 176.210 176.842 -0.632 19231 6916 1 12 . 1 1 101 101 ASP CA C 101 54.513 54.513 56.152 -1.639 19231 6917 1 12 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.805 0.416 19231 6918 1 12 . 1 1 101 101 ASP H H 101 8.426 8.426 8.506 -0.080 19231 6919 1 12 . 1 1 102 102 THR N N 102 113.358 113.358 112.838 0.520 19231 6920 1 12 . 1 1 102 102 THR HA H 102 4.360 4.360 4.339 0.021 19231 6921 1 12 . 1 1 102 102 THR C C 102 173.733 173.733 173.764 -0.031 19231 6922 1 12 . 1 1 102 102 THR CA C 102 61.477 61.477 62.008 -0.531 19231 6923 1 12 . 1 1 102 102 THR CB C 102 69.788 69.788 70.239 -0.451 19231 6924 1 12 . 1 1 102 102 THR H H 102 8.045 8.045 7.610 0.435 19231 6925 1 13 . 1 1 2 2 GLN N N 2 121.990 121.990 118.018 3.972 19231 6926 1 13 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.204 0.133 19231 6927 1 13 . 1 1 2 2 GLN C C 2 176.320 176.320 174.898 1.422 19231 6928 1 13 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.265 0.030 19231 6929 1 13 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.918 1.353 19231 6930 1 13 . 1 1 2 2 GLN H H 2 8.705 8.705 8.794 -0.089 19231 6931 1 13 . 1 1 3 3 GLY N N 3 110.481 110.481 107.450 3.031 19231 6932 1 13 . 1 1 3 3 GLY C C 3 174.116 174.116 173.353 0.763 19231 6933 1 13 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.017 0.098 19231 6934 1 13 . 1 1 3 3 GLY H H 3 8.540 8.540 8.197 0.343 19231 6935 1 13 . 1 1 4 4 ASP N N 4 120.750 120.750 119.236 1.514 19231 6936 1 13 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.463 0.178 19231 6937 1 13 . 1 1 4 4 ASP C C 4 175.974 175.974 174.843 1.131 19231 6938 1 13 . 1 1 4 4 ASP CA C 4 54.456 54.456 54.853 -0.397 19231 6939 1 13 . 1 1 4 4 ASP CB C 4 41.190 41.190 40.864 0.326 19231 6940 1 13 . 1 1 4 4 ASP H H 4 8.251 8.251 8.147 0.104 19231 6941 1 13 . 1 1 5 5 ASN N N 5 118.421 118.421 118.143 0.278 19231 6942 1 13 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.719 0.042 19231 6943 1 13 . 1 1 5 5 ASN C C 5 174.017 174.017 172.704 1.313 19231 6944 1 13 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.547 -0.193 19231 6945 1 13 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.214 -1.278 19231 6946 1 13 . 1 1 5 5 ASN H H 5 8.513 8.513 8.467 0.046 19231 6947 1 13 . 1 1 6 6 GLU N N 6 120.905 120.905 124.268 -3.363 19231 6948 1 13 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.433 0.039 19231 6949 1 13 . 1 1 6 6 GLU C C 6 175.808 175.808 174.431 1.377 19231 6950 1 13 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.119 -0.024 19231 6951 1 13 . 1 1 6 6 GLU CB C 6 33.013 33.013 32.823 0.190 19231 6952 1 13 . 1 1 6 6 GLU H H 6 8.116 8.116 8.300 -0.184 19231 6953 1 13 . 1 1 7 7 ILE N N 7 122.567 122.567 120.263 2.304 19231 6954 1 13 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.744 -0.210 19231 6955 1 13 . 1 1 7 7 ILE C C 7 174.653 174.653 173.650 1.003 19231 6956 1 13 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.836 0.277 19231 6957 1 13 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.998 -0.656 19231 6958 1 13 . 1 1 7 7 ILE H H 7 8.966 8.966 8.900 0.066 19231 6959 1 13 . 1 1 8 8 SER N N 8 120.446 120.446 117.181 3.265 19231 6960 1 13 . 1 1 8 8 SER HA H 8 5.536 5.536 5.487 0.049 19231 6961 1 13 . 1 1 8 8 SER C C 8 174.082 174.082 173.637 0.445 19231 6962 1 13 . 1 1 8 8 SER CA C 8 57.050 57.050 57.007 0.043 19231 6963 1 13 . 1 1 8 8 SER CB C 8 65.470 65.470 65.441 0.029 19231 6964 1 13 . 1 1 8 8 SER H H 8 8.773 8.773 8.348 0.425 19231 6965 1 13 . 1 1 9 9 VAL N N 9 124.896 124.896 124.334 0.562 19231 6966 1 13 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.407 -0.217 19231 6967 1 13 . 1 1 9 9 VAL C C 9 176.141 176.141 175.804 0.337 19231 6968 1 13 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.572 -0.274 19231 6969 1 13 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.002 1.761 19231 6970 1 13 . 1 1 9 9 VAL H H 9 8.874 8.874 8.829 0.045 19231 6971 1 13 . 1 1 10 10 GLY N N 10 117.992 117.992 118.062 -0.070 19231 6972 1 13 . 1 1 10 10 GLY C C 10 174.785 174.785 174.771 0.014 19231 6973 1 13 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.448 0.882 19231 6974 1 13 . 1 1 10 10 GLY H H 10 9.114 9.114 8.754 0.360 19231 6975 1 13 . 1 1 11 11 ASN N N 11 124.908 124.908 123.586 1.322 19231 6976 1 13 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.860 -0.172 19231 6977 1 13 . 1 1 11 11 ASN C C 11 174.765 174.765 174.328 0.437 19231 6978 1 13 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.853 0.024 19231 6979 1 13 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.133 -1.855 19231 6980 1 13 . 1 1 11 11 ASN H H 11 8.609 8.609 8.518 0.091 19231 6981 1 13 . 1 1 12 12 LEU N N 12 123.550 123.550 122.101 1.449 19231 6982 1 13 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.206 0.209 19231 6983 1 13 . 1 1 12 12 LEU C C 12 175.653 175.653 175.982 -0.329 19231 6984 1 13 . 1 1 12 12 LEU CA C 12 53.937 53.937 53.842 0.095 19231 6985 1 13 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.174 2.264 19231 6986 1 13 . 1 1 12 12 LEU H H 12 8.256 8.256 7.365 0.891 19231 6987 1 13 . 1 1 13 13 ARG N N 13 124.719 124.719 123.995 0.724 19231 6988 1 13 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.915 0.312 19231 6989 1 13 . 1 1 13 13 ARG C C 13 173.394 173.394 175.022 -1.628 19231 6990 1 13 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.207 -0.190 19231 6991 1 13 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.233 2.274 19231 6992 1 13 . 1 1 13 13 ARG H H 13 9.169 9.169 8.279 0.890 19231 6993 1 13 . 1 1 14 14 LEU N N 14 127.743 127.743 125.705 2.038 19231 6994 1 13 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.694 0.622 19231 6995 1 13 . 1 1 14 14 LEU C C 14 174.807 174.807 175.280 -0.473 19231 6996 1 13 . 1 1 14 14 LEU CA C 14 53.816 53.816 54.324 -0.508 19231 6997 1 13 . 1 1 14 14 LEU CB C 14 45.806 45.806 43.883 1.923 19231 6998 1 13 . 1 1 14 14 LEU H H 14 9.394 9.394 9.029 0.365 19231 6999 1 13 . 1 1 15 15 ASN N N 15 125.577 125.577 124.085 1.492 19231 7000 1 13 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.252 0.155 19231 7001 1 13 . 1 1 15 15 ASN C C 15 175.621 175.621 175.256 0.365 19231 7002 1 13 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.763 -0.719 19231 7003 1 13 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.449 -0.382 19231 7004 1 13 . 1 1 15 15 ASN H H 15 9.520 9.520 8.402 1.118 19231 7005 1 13 . 1 1 16 16 VAL N N 16 123.478 123.478 125.454 -1.976 19231 7006 1 13 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.049 0.031 19231 7007 1 13 . 1 1 16 16 VAL C C 16 177.902 177.902 177.502 0.400 19231 7008 1 13 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.135 -0.721 19231 7009 1 13 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.507 0.697 19231 7010 1 13 . 1 1 16 16 VAL H H 16 8.759 8.759 8.462 0.297 19231 7011 1 13 . 1 1 17 17 THR N N 17 117.004 117.004 115.181 1.823 19231 7012 1 13 . 1 1 17 17 THR HA H 17 4.340 4.340 4.001 0.339 19231 7013 1 13 . 1 1 17 17 THR C C 17 176.177 176.177 175.887 0.290 19231 7014 1 13 . 1 1 17 17 THR CA C 17 65.922 65.922 65.612 0.309 19231 7015 1 13 . 1 1 17 17 THR CB C 17 68.899 68.899 69.219 -0.320 19231 7016 1 13 . 1 1 17 17 THR H H 17 8.045 8.045 7.713 0.332 19231 7017 1 13 . 1 1 18 18 ARG N N 18 117.565 117.565 118.209 -0.644 19231 7018 1 13 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.345 -0.147 19231 7019 1 13 . 1 1 18 18 ARG C C 18 174.802 174.802 175.675 -0.873 19231 7020 1 13 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.877 -0.272 19231 7021 1 13 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.514 0.711 19231 7022 1 13 . 1 1 18 18 ARG H H 18 8.035 8.035 8.359 -0.324 19231 7023 1 13 . 1 1 19 19 ARG N N 19 117.471 117.471 117.363 0.108 19231 7024 1 13 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.388 0.526 19231 7025 1 13 . 1 1 19 19 ARG C C 19 174.359 174.359 174.372 -0.013 19231 7026 1 13 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.681 -0.195 19231 7027 1 13 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.101 -0.853 19231 7028 1 13 . 1 1 19 19 ARG H H 19 7.877 7.877 7.994 -0.117 19231 7029 1 13 . 1 1 20 20 LEU N N 20 118.701 118.701 119.740 -1.039 19231 7030 1 13 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.515 0.015 19231 7031 1 13 . 1 1 20 20 LEU C C 20 174.619 174.619 173.924 0.695 19231 7032 1 13 . 1 1 20 20 LEU CA C 20 52.854 52.854 54.013 -1.159 19231 7033 1 13 . 1 1 20 20 LEU CB C 20 47.247 47.247 45.977 1.270 19231 7034 1 13 . 1 1 20 20 LEU H H 20 7.565 7.565 7.771 -0.206 19231 7035 1 13 . 1 1 21 21 VAL N N 21 120.636 120.636 122.742 -2.106 19231 7036 1 13 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.021 0.176 19231 7037 1 13 . 1 1 21 21 VAL C C 21 174.036 174.036 174.973 -0.937 19231 7038 1 13 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.071 -0.200 19231 7039 1 13 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.272 0.176 19231 7040 1 13 . 1 1 21 21 VAL H H 21 8.466 8.466 8.419 0.047 19231 7041 1 13 . 1 1 22 22 TRP N N 22 126.709 126.709 126.301 0.408 19231 7042 1 13 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.317 -0.187 19231 7043 1 13 . 1 1 22 22 TRP C C 22 174.877 174.877 174.573 0.304 19231 7044 1 13 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.235 0.832 19231 7045 1 13 . 1 1 22 22 TRP CB C 22 33.137 33.137 32.709 0.428 19231 7046 1 13 . 1 1 22 22 TRP H H 22 9.596 9.596 8.757 0.839 19231 7047 1 13 . 1 1 23 23 LEU N N 23 123.443 123.443 123.818 -0.375 19231 7048 1 13 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.731 0.303 19231 7049 1 13 . 1 1 23 23 LEU C C 23 177.552 177.552 177.056 0.496 19231 7050 1 13 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.668 -0.241 19231 7051 1 13 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.715 0.207 19231 7052 1 13 . 1 1 23 23 LEU H H 23 8.834 8.834 9.261 -0.427 19231 7053 1 13 . 1 1 24 24 GLY N N 24 117.546 117.546 117.333 0.213 19231 7054 1 13 . 1 1 24 24 GLY C C 24 174.915 174.915 175.082 -0.167 19231 7055 1 13 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.666 1.554 19231 7056 1 13 . 1 1 24 24 GLY H H 24 9.401 9.401 8.729 0.672 19231 7057 1 13 . 1 1 25 25 GLU N N 25 124.565 124.565 114.627 9.938 19231 7058 1 13 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.916 0.412 19231 7059 1 13 . 1 1 25 25 GLU C C 25 176.350 176.350 175.052 1.298 19231 7060 1 13 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.181 -1.782 19231 7061 1 13 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.559 0.252 19231 7062 1 13 . 1 1 25 25 GLU H H 25 9.051 9.051 8.544 0.507 19231 7063 1 13 . 1 1 26 26 THR N N 26 117.538 117.538 111.311 6.227 19231 7064 1 13 . 1 1 26 26 THR HA H 26 4.305 4.305 4.631 -0.326 19231 7065 1 13 . 1 1 26 26 THR C C 26 173.226 173.226 173.739 -0.513 19231 7066 1 13 . 1 1 26 26 THR CA C 26 62.118 62.118 60.684 1.434 19231 7067 1 13 . 1 1 26 26 THR CB C 26 70.399 70.399 70.806 -0.407 19231 7068 1 13 . 1 1 26 26 THR H H 26 8.140 8.140 7.518 0.622 19231 7069 1 13 . 1 1 27 27 ALA N N 27 131.183 131.183 128.728 2.455 19231 7070 1 13 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.789 0.301 19231 7071 1 13 . 1 1 27 27 ALA C C 27 177.483 177.483 176.813 0.670 19231 7072 1 13 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.490 -0.056 19231 7073 1 13 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.648 -0.733 19231 7074 1 13 . 1 1 27 27 ALA H H 27 8.937 8.937 8.684 0.253 19231 7075 1 13 . 1 1 28 28 LEU N N 28 124.160 124.160 125.524 -1.364 19231 7076 1 13 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.310 0.026 19231 7077 1 13 . 1 1 28 28 LEU C C 28 176.114 176.114 176.212 -0.098 19231 7078 1 13 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.900 -1.294 19231 7079 1 13 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.309 0.013 19231 7080 1 13 . 1 1 28 28 LEU H H 28 8.663 8.663 8.266 0.397 19231 7081 1 13 . 1 1 29 29 ASP N N 29 124.715 124.715 128.067 -3.352 19231 7082 1 13 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.798 -0.088 19231 7083 1 13 . 1 1 29 29 ASP C C 29 174.721 174.721 175.002 -0.281 19231 7084 1 13 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.959 -0.635 19231 7085 1 13 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.144 0.192 19231 7086 1 13 . 1 1 29 29 ASP H H 29 8.690 8.690 8.628 0.062 19231 7087 1 13 . 1 1 30 30 LEU N N 30 123.472 123.472 120.152 3.320 19231 7088 1 13 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.907 -0.076 19231 7089 1 13 . 1 1 30 30 LEU C C 30 177.944 177.944 175.917 2.027 19231 7090 1 13 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.438 -0.501 19231 7091 1 13 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.390 -0.410 19231 7092 1 13 . 1 1 30 30 LEU H H 30 7.969 7.969 7.562 0.407 19231 7093 1 13 . 1 1 31 31 THR N N 31 115.969 115.969 113.086 2.883 19231 7094 1 13 . 1 1 31 31 THR HA H 31 4.700 4.700 4.466 0.234 19231 7095 1 13 . 1 1 31 31 THR C C 31 173.645 173.645 174.794 -1.149 19231 7096 1 13 . 1 1 31 31 THR CA C 31 60.704 60.704 60.114 0.590 19231 7097 1 13 . 1 1 31 31 THR CB C 31 67.869 67.869 68.700 -0.831 19231 7098 1 13 . 1 1 31 31 THR H H 31 8.864 8.864 8.294 0.570 19231 7099 1 13 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.043 0.237 19231 7100 1 13 . 1 1 32 32 PRO C C 32 178.657 178.657 178.592 0.065 19231 7101 1 13 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.853 0.651 19231 7102 1 13 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.770 0.209 19231 7103 1 13 . 1 1 33 33 LYS N N 33 116.417 116.417 115.129 1.288 19231 7104 1 13 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.955 -0.031 19231 7105 1 13 . 1 1 33 33 LYS C C 33 178.084 178.084 178.930 -0.846 19231 7106 1 13 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.896 -0.231 19231 7107 1 13 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.654 0.918 19231 7108 1 13 . 1 1 33 33 LYS H H 33 8.044 8.044 8.393 -0.349 19231 7109 1 13 . 1 1 34 34 GLU N N 34 118.272 118.272 119.174 -0.902 19231 7110 1 13 . 1 1 34 34 GLU HA H 34 3.620 3.620 4.074 -0.454 19231 7111 1 13 . 1 1 34 34 GLU C C 34 178.512 178.512 178.326 0.186 19231 7112 1 13 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.744 0.800 19231 7113 1 13 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.004 1.517 19231 7114 1 13 . 1 1 34 34 GLU H H 34 7.376 7.376 8.048 -0.672 19231 7115 1 13 . 1 1 35 35 TYR N N 35 118.351 118.351 120.366 -2.015 19231 7116 1 13 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.120 -0.423 19231 7117 1 13 . 1 1 35 35 TYR C C 35 177.597 177.597 176.736 0.861 19231 7118 1 13 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.584 0.717 19231 7119 1 13 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.020 -0.086 19231 7120 1 13 . 1 1 35 35 TYR H H 35 8.950 8.950 7.692 1.258 19231 7121 1 13 . 1 1 36 36 ALA N N 36 123.913 123.913 121.559 2.354 19231 7122 1 13 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.102 -0.359 19231 7123 1 13 . 1 1 36 36 ALA C C 36 180.061 180.061 179.467 0.594 19231 7124 1 13 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.616 0.797 19231 7125 1 13 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.385 -0.323 19231 7126 1 13 . 1 1 36 36 ALA H H 36 8.147 8.147 7.331 0.816 19231 7127 1 13 . 1 1 37 37 LEU N N 37 116.924 116.924 120.448 -3.524 19231 7128 1 13 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.089 -0.179 19231 7129 1 13 . 1 1 37 37 LEU C C 37 177.760 177.760 178.847 -1.087 19231 7130 1 13 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.612 -0.276 19231 7131 1 13 . 1 1 37 37 LEU CB C 37 43.043 43.043 42.075 0.968 19231 7132 1 13 . 1 1 37 37 LEU H H 37 7.651 7.651 7.538 0.113 19231 7133 1 13 . 1 1 38 38 LEU N N 38 118.232 118.232 119.113 -0.881 19231 7134 1 13 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.846 0.024 19231 7135 1 13 . 1 1 38 38 LEU C C 38 178.524 178.524 178.381 0.143 19231 7136 1 13 . 1 1 38 38 LEU CA C 38 57.397 57.397 57.924 -0.527 19231 7137 1 13 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.502 -0.373 19231 7138 1 13 . 1 1 38 38 LEU H H 38 8.550 8.550 8.687 -0.137 19231 7139 1 13 . 1 1 39 39 SER N N 39 113.045 113.045 114.251 -1.206 19231 7140 1 13 . 1 1 39 39 SER HA H 39 3.700 3.700 4.070 -0.370 19231 7141 1 13 . 1 1 39 39 SER C C 39 175.854 175.854 177.044 -1.190 19231 7142 1 13 . 1 1 39 39 SER CA C 39 62.126 62.126 61.556 0.570 19231 7143 1 13 . 1 1 39 39 SER CB C 39 68.227 68.227 62.334 5.893 19231 7144 1 13 . 1 1 39 39 SER H H 39 8.540 8.540 7.974 0.566 19231 7145 1 13 . 1 1 40 40 ARG N N 40 121.521 121.521 120.865 0.656 19231 7146 1 13 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.230 -0.220 19231 7147 1 13 . 1 1 40 40 ARG C C 40 178.731 178.731 178.400 0.331 19231 7148 1 13 . 1 1 40 40 ARG CA C 40 58.311 58.311 57.698 0.613 19231 7149 1 13 . 1 1 40 40 ARG CB C 40 28.525 28.525 30.066 -1.541 19231 7150 1 13 . 1 1 40 40 ARG H H 40 7.112 7.112 7.625 -0.513 19231 7151 1 13 . 1 1 41 41 LEU N N 41 115.939 115.939 119.393 -3.454 19231 7152 1 13 . 1 1 41 41 LEU HA H 41 3.992 3.992 4.010 -0.018 19231 7153 1 13 . 1 1 41 41 LEU C C 41 180.049 180.049 179.579 0.470 19231 7154 1 13 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.070 -0.234 19231 7155 1 13 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.460 0.556 19231 7156 1 13 . 1 1 41 41 LEU H H 41 7.960 7.960 7.563 0.397 19231 7157 1 13 . 1 1 42 42 MET N N 42 116.335 116.335 116.216 0.119 19231 7158 1 13 . 1 1 42 42 MET HA H 42 3.877 3.877 4.252 -0.375 19231 7159 1 13 . 1 1 42 42 MET C C 42 178.748 178.748 178.286 0.462 19231 7160 1 13 . 1 1 42 42 MET CA C 42 59.530 59.530 57.539 1.991 19231 7161 1 13 . 1 1 42 42 MET CB C 42 33.449 33.449 31.843 1.606 19231 7162 1 13 . 1 1 42 42 MET H H 42 8.825 8.825 8.403 0.422 19231 7163 1 13 . 1 1 43 43 MET N N 43 119.000 119.000 121.075 -2.075 19231 7164 1 13 . 1 1 43 43 MET HA H 43 4.137 4.137 4.256 -0.119 19231 7165 1 13 . 1 1 43 43 MET C C 43 176.813 176.813 177.066 -0.253 19231 7166 1 13 . 1 1 43 43 MET CA C 43 58.405 58.405 57.972 0.433 19231 7167 1 13 . 1 1 43 43 MET CB C 43 32.382 32.382 32.848 -0.466 19231 7168 1 13 . 1 1 43 43 MET H H 43 8.250 8.250 7.504 0.746 19231 7169 1 13 . 1 1 44 44 LYS N N 44 117.715 117.715 117.274 0.441 19231 7170 1 13 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.573 0.058 19231 7171 1 13 . 1 1 44 44 LYS C C 44 175.226 175.226 174.873 0.353 19231 7172 1 13 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.660 -1.834 19231 7173 1 13 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.508 -1.037 19231 7174 1 13 . 1 1 44 44 LYS H H 44 7.088 7.088 7.471 -0.383 19231 7175 1 13 . 1 1 45 45 ALA N N 45 122.613 122.613 122.366 0.247 19231 7176 1 13 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.259 0.060 19231 7177 1 13 . 1 1 45 45 ALA C C 45 178.994 178.994 178.353 0.641 19231 7178 1 13 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.867 0.807 19231 7179 1 13 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.683 0.714 19231 7180 1 13 . 1 1 45 45 ALA H H 45 6.952 6.952 7.400 -0.448 19231 7181 1 13 . 1 1 46 46 GLY N N 46 109.561 109.561 112.036 -2.475 19231 7182 1 13 . 1 1 46 46 GLY C C 46 173.547 173.547 174.417 -0.870 19231 7183 1 13 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.058 0.408 19231 7184 1 13 . 1 1 46 46 GLY H H 46 8.944 8.944 8.800 0.144 19231 7185 1 13 . 1 1 47 47 SER N N 47 116.886 116.886 116.529 0.357 19231 7186 1 13 . 1 1 47 47 SER HA H 47 5.130 5.130 4.995 0.135 19231 7187 1 13 . 1 1 47 47 SER C C 47 170.481 170.481 172.112 -1.631 19231 7188 1 13 . 1 1 47 47 SER CA C 47 55.988 55.988 55.796 0.192 19231 7189 1 13 . 1 1 47 47 SER CB C 47 65.098 65.098 64.906 0.191 19231 7190 1 13 . 1 1 47 47 SER H H 47 8.759 8.759 7.962 0.797 19231 7191 1 13 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.903 -0.485 19231 7192 1 13 . 1 1 48 48 PRO C C 48 175.854 175.854 176.284 -0.430 19231 7193 1 13 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.411 0.035 19231 7194 1 13 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.221 0.688 19231 7195 1 13 . 1 1 49 49 VAL N N 49 124.173 124.173 124.973 -0.800 19231 7196 1 13 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.210 0.201 19231 7197 1 13 . 1 1 49 49 VAL C C 49 175.186 175.186 175.691 -0.505 19231 7198 1 13 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.299 0.160 19231 7199 1 13 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.109 0.387 19231 7200 1 13 . 1 1 49 49 VAL H H 49 9.235 9.235 8.625 0.610 19231 7201 1 13 . 1 1 50 50 HIS N N 50 128.035 128.035 126.357 1.678 19231 7202 1 13 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.263 -0.693 19231 7203 1 13 . 1 1 50 50 HIS C C 50 177.130 177.130 175.948 1.182 19231 7204 1 13 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.745 2.708 19231 7205 1 13 . 1 1 50 50 HIS CB C 50 31.542 31.542 31.122 0.420 19231 7206 1 13 . 1 1 50 50 HIS H H 50 8.791 8.791 8.818 -0.027 19231 7207 1 13 . 1 1 51 51 ARG N N 51 125.631 125.631 126.564 -0.933 19231 7208 1 13 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.888 -0.008 19231 7209 1 13 . 1 1 51 51 ARG C C 51 176.786 176.786 177.527 -0.741 19231 7210 1 13 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.169 0.910 19231 7211 1 13 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.738 0.411 19231 7212 1 13 . 1 1 51 51 ARG H H 51 8.544 8.544 8.535 0.009 19231 7213 1 13 . 1 1 52 52 GLU N N 52 120.964 120.964 119.202 1.762 19231 7214 1 13 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.979 0.101 19231 7215 1 13 . 1 1 52 52 GLU C C 52 179.334 179.334 178.251 1.083 19231 7216 1 13 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.342 1.427 19231 7217 1 13 . 1 1 52 52 GLU CB C 52 29.228 29.228 29.126 0.102 19231 7218 1 13 . 1 1 52 52 GLU H H 52 10.831 10.831 7.126 3.705 19231 7219 1 13 . 1 1 53 53 ILE N N 53 119.337 119.337 118.662 0.675 19231 7220 1 13 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.876 -0.005 19231 7221 1 13 . 1 1 53 53 ILE C C 53 178.080 178.080 177.840 0.240 19231 7222 1 13 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.316 -1.206 19231 7223 1 13 . 1 1 53 53 ILE CB C 53 37.496 37.496 38.425 -0.929 19231 7224 1 13 . 1 1 53 53 ILE H H 53 7.239 7.239 7.674 -0.435 19231 7225 1 13 . 1 1 54 54 LEU N N 54 118.502 118.502 117.595 0.907 19231 7226 1 13 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.528 -0.368 19231 7227 1 13 . 1 1 54 54 LEU C C 54 178.676 178.676 178.829 -0.153 19231 7228 1 13 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.145 -0.071 19231 7229 1 13 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.096 0.227 19231 7230 1 13 . 1 1 54 54 LEU H H 54 7.198 7.198 7.530 -0.332 19231 7231 1 13 . 1 1 55 55 TYR N N 55 117.114 117.114 120.700 -3.586 19231 7232 1 13 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.136 -0.001 19231 7233 1 13 . 1 1 55 55 TYR C C 55 177.987 177.987 176.512 1.475 19231 7234 1 13 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.427 -0.290 19231 7235 1 13 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.394 -0.287 19231 7236 1 13 . 1 1 55 55 TYR H H 55 8.872 8.872 7.754 1.118 19231 7237 1 13 . 1 1 56 56 ASN N N 56 116.720 116.720 115.759 0.961 19231 7238 1 13 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.579 -0.094 19231 7239 1 13 . 1 1 56 56 ASN C C 56 177.439 177.439 176.395 1.044 19231 7240 1 13 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.944 0.069 19231 7241 1 13 . 1 1 56 56 ASN CB C 56 38.290 38.290 37.983 0.307 19231 7242 1 13 . 1 1 56 56 ASN H H 56 7.796 7.796 7.958 -0.162 19231 7243 1 13 . 1 1 57 57 ASP N N 57 118.532 118.532 121.234 -2.702 19231 7244 1 13 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.416 0.124 19231 7245 1 13 . 1 1 57 57 ASP C C 57 177.886 177.886 177.628 0.258 19231 7246 1 13 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.609 0.477 19231 7247 1 13 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.623 0.257 19231 7248 1 13 . 1 1 57 57 ASP H H 57 7.842 7.842 7.733 0.109 19231 7249 1 13 . 1 1 58 58 ILE N N 58 109.975 109.975 117.423 -7.448 19231 7250 1 13 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.779 0.521 19231 7251 1 13 . 1 1 58 58 ILE C C 58 175.916 175.916 176.086 -0.170 19231 7252 1 13 . 1 1 58 58 ILE CA C 58 61.340 61.340 63.133 -1.793 19231 7253 1 13 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.433 0.397 19231 7254 1 13 . 1 1 58 58 ILE H H 58 7.277 7.277 7.383 -0.106 19231 7255 1 13 . 1 1 59 59 TYR N N 59 122.761 122.761 117.991 4.770 19231 7256 1 13 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.534 -0.238 19231 7257 1 13 . 1 1 59 59 TYR C C 59 176.037 176.037 176.172 -0.135 19231 7258 1 13 . 1 1 59 59 TYR CA C 59 59.170 59.170 56.740 2.430 19231 7259 1 13 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.995 -1.718 19231 7260 1 13 . 1 1 59 59 TYR H H 59 7.788 7.788 7.617 0.171 19231 7261 1 13 . 1 1 60 60 SER N N 60 117.350 117.350 122.260 -4.910 19231 7262 1 13 . 1 1 60 60 SER HA H 60 4.292 4.292 4.434 -0.142 19231 7263 1 13 . 1 1 60 60 SER C C 60 174.206 174.206 174.084 0.122 19231 7264 1 13 . 1 1 60 60 SER CA C 60 57.976 57.976 58.576 -0.600 19231 7265 1 13 . 1 1 60 60 SER CB C 60 63.884 63.884 62.238 1.646 19231 7266 1 13 . 1 1 60 60 SER H H 60 7.721 7.721 9.086 -1.365 19231 7267 1 13 . 1 1 61 61 TRP N N 61 122.170 122.170 122.391 -0.221 19231 7268 1 13 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.384 0.093 19231 7269 1 13 . 1 1 61 61 TRP C C 61 175.798 175.798 175.358 0.440 19231 7270 1 13 . 1 1 61 61 TRP CA C 61 57.863 57.863 58.349 -0.486 19231 7271 1 13 . 1 1 61 61 TRP CB C 61 28.826 28.826 28.101 0.725 19231 7272 1 13 . 1 1 61 61 TRP H H 61 7.990 7.990 8.328 -0.338 19231 7273 1 13 . 1 1 62 62 ASP N N 62 119.118 119.118 121.442 -2.324 19231 7274 1 13 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.280 0.160 19231 7275 1 13 . 1 1 62 62 ASP C C 62 175.559 175.559 175.616 -0.057 19231 7276 1 13 . 1 1 62 62 ASP CA C 62 53.811 53.811 54.729 -0.918 19231 7277 1 13 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.960 -0.244 19231 7278 1 13 . 1 1 62 62 ASP H H 62 7.900 7.900 8.410 -0.510 19231 7279 1 13 . 1 1 63 63 ASN N N 63 117.586 117.586 118.131 -0.545 19231 7280 1 13 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.394 0.152 19231 7281 1 13 . 1 1 63 63 ASN C C 63 174.737 174.737 173.981 0.756 19231 7282 1 13 . 1 1 63 63 ASN CA C 63 53.158 53.158 53.221 -0.063 19231 7283 1 13 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.029 0.714 19231 7284 1 13 . 1 1 63 63 ASN H H 63 8.080 8.080 8.227 -0.147 19231 7285 1 13 . 1 1 64 64 GLU N N 64 121.831 121.831 120.096 1.735 19231 7286 1 13 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.369 0.211 19231 7287 1 13 . 1 1 64 64 GLU C C 64 174.706 174.706 174.446 0.260 19231 7288 1 13 . 1 1 64 64 GLU CA C 64 54.760 54.760 57.213 -2.453 19231 7289 1 13 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.683 0.146 19231 7290 1 13 . 1 1 64 64 GLU H H 64 8.224 8.224 8.524 -0.300 19231 7291 1 13 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.570 -0.176 19231 7292 1 13 . 1 1 65 65 PRO C C 65 177.312 177.312 175.748 1.564 19231 7293 1 13 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.291 1.533 19231 7294 1 13 . 1 1 65 65 PRO CB C 65 31.871 31.871 30.649 1.222 19231 7295 1 13 . 1 1 66 66 ALA N N 66 122.755 122.755 125.948 -3.193 19231 7296 1 13 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.145 0.205 19231 7297 1 13 . 1 1 66 66 ALA C C 66 178.352 178.352 177.688 0.664 19231 7298 1 13 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.194 -0.346 19231 7299 1 13 . 1 1 66 66 ALA CB C 66 19.086 19.086 18.882 0.204 19231 7300 1 13 . 1 1 66 66 ALA H H 66 8.465 8.465 7.890 0.575 19231 7301 1 13 . 1 1 67 67 THR N N 67 111.079 111.079 112.909 -1.830 19231 7302 1 13 . 1 1 67 67 THR HA H 67 4.287 4.287 4.128 0.159 19231 7303 1 13 . 1 1 67 67 THR C C 67 175.040 175.040 174.360 0.680 19231 7304 1 13 . 1 1 67 67 THR CA C 67 62.505 62.505 61.708 0.797 19231 7305 1 13 . 1 1 67 67 THR CB C 67 69.187 69.187 69.606 -0.419 19231 7306 1 13 . 1 1 67 67 THR H H 67 8.002 8.002 7.591 0.411 19231 7307 1 13 . 1 1 68 68 ASN N N 68 120.768 120.768 120.326 0.442 19231 7308 1 13 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.532 0.447 19231 7309 1 13 . 1 1 68 68 ASN C C 68 175.250 175.250 174.642 0.608 19231 7310 1 13 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.113 -1.077 19231 7311 1 13 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.834 -0.156 19231 7312 1 13 . 1 1 68 68 ASN H H 68 8.280 8.280 8.637 -0.357 19231 7313 1 13 . 1 1 69 69 THR N N 69 112.288 112.288 118.091 -5.803 19231 7314 1 13 . 1 1 69 69 THR HA H 69 4.480 4.480 4.441 0.039 19231 7315 1 13 . 1 1 69 69 THR C C 69 175.830 175.830 175.440 0.390 19231 7316 1 13 . 1 1 69 69 THR CA C 69 62.328 62.328 63.616 -1.288 19231 7317 1 13 . 1 1 69 69 THR CB C 69 69.927 69.927 69.909 0.018 19231 7318 1 13 . 1 1 69 69 THR H H 69 7.691 7.691 8.443 -0.752 19231 7319 1 13 . 1 1 70 70 LEU N N 70 123.384 123.384 121.518 1.866 19231 7320 1 13 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.395 -0.315 19231 7321 1 13 . 1 1 70 70 LEU C C 70 177.457 177.457 178.060 -0.603 19231 7322 1 13 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.608 0.000 19231 7323 1 13 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.151 0.343 19231 7324 1 13 . 1 1 70 70 LEU H H 70 8.843 8.843 7.860 0.983 19231 7325 1 13 . 1 1 71 71 GLU N N 71 116.878 116.878 120.113 -3.235 19231 7326 1 13 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.164 -0.459 19231 7327 1 13 . 1 1 71 71 GLU C C 71 179.305 179.305 178.557 0.748 19231 7328 1 13 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.186 1.985 19231 7329 1 13 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.011 -0.183 19231 7330 1 13 . 1 1 71 71 GLU H H 71 8.652 8.652 8.510 0.142 19231 7331 1 13 . 1 1 72 72 VAL N N 72 121.419 121.419 119.038 2.381 19231 7332 1 13 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.791 -0.106 19231 7333 1 13 . 1 1 72 72 VAL C C 72 177.680 177.680 177.511 0.169 19231 7334 1 13 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.345 -0.234 19231 7335 1 13 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.141 0.326 19231 7336 1 13 . 1 1 72 72 VAL H H 72 7.559 7.559 8.027 -0.468 19231 7337 1 13 . 1 1 73 73 HIS N N 73 118.272 118.272 120.608 -2.336 19231 7338 1 13 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.295 0.165 19231 7339 1 13 . 1 1 73 73 HIS C C 73 178.616 178.616 178.075 0.541 19231 7340 1 13 . 1 1 73 73 HIS CA C 73 60.206 60.206 60.208 -0.002 19231 7341 1 13 . 1 1 73 73 HIS CB C 73 31.269 31.269 30.321 0.948 19231 7342 1 13 . 1 1 73 73 HIS H H 73 7.420 7.420 8.018 -0.598 19231 7343 1 13 . 1 1 74 74 ILE N N 74 118.940 118.940 118.931 0.009 19231 7344 1 13 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.598 -0.028 19231 7345 1 13 . 1 1 74 74 ILE C C 74 177.819 177.819 177.178 0.641 19231 7346 1 13 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.802 -3.859 19231 7347 1 13 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.831 -3.556 19231 7348 1 13 . 1 1 74 74 ILE H H 74 8.515 8.515 7.755 0.760 19231 7349 1 13 . 1 1 75 75 HIS N N 75 120.484 120.484 119.543 0.941 19231 7350 1 13 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.171 0.099 19231 7351 1 13 . 1 1 75 75 HIS C C 75 177.445 177.445 177.347 0.098 19231 7352 1 13 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.401 -0.285 19231 7353 1 13 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.872 -1.060 19231 7354 1 13 . 1 1 75 75 HIS H H 75 8.189 8.189 7.613 0.576 19231 7355 1 13 . 1 1 76 76 ASN N N 76 119.098 119.098 118.100 0.998 19231 7356 1 13 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.676 -0.287 19231 7357 1 13 . 1 1 76 76 ASN C C 76 178.615 178.615 177.800 0.815 19231 7358 1 13 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.783 -0.278 19231 7359 1 13 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.639 -1.330 19231 7360 1 13 . 1 1 76 76 ASN H H 76 8.456 8.456 7.744 0.712 19231 7361 1 13 . 1 1 77 77 LEU N N 77 120.517 120.517 120.838 -0.321 19231 7362 1 13 . 1 1 77 77 LEU HA H 77 3.951 3.951 3.877 0.074 19231 7363 1 13 . 1 1 77 77 LEU C C 77 178.945 178.945 178.363 0.582 19231 7364 1 13 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.664 0.332 19231 7365 1 13 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.509 1.597 19231 7366 1 13 . 1 1 77 77 LEU H H 77 8.579 8.579 7.787 0.792 19231 7367 1 13 . 1 1 78 78 ARG N N 78 119.521 119.521 120.219 -0.698 19231 7368 1 13 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.734 -0.074 19231 7369 1 13 . 1 1 78 78 ARG C C 78 178.766 178.766 178.063 0.703 19231 7370 1 13 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.836 -0.401 19231 7371 1 13 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.276 0.558 19231 7372 1 13 . 1 1 78 78 ARG H H 78 8.687 8.687 8.660 0.027 19231 7373 1 13 . 1 1 79 79 GLU N N 79 116.882 116.882 116.161 0.721 19231 7374 1 13 . 1 1 79 79 GLU HA H 79 3.929 3.929 3.997 -0.068 19231 7375 1 13 . 1 1 79 79 GLU C C 79 178.226 178.226 178.457 -0.231 19231 7376 1 13 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.521 0.145 19231 7377 1 13 . 1 1 79 79 GLU CB C 79 29.551 29.551 28.970 0.581 19231 7378 1 13 . 1 1 79 79 GLU H H 79 7.717 7.717 7.760 -0.043 19231 7379 1 13 . 1 1 80 80 LYS N N 80 116.574 116.574 119.618 -3.044 19231 7380 1 13 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.081 0.171 19231 7381 1 13 . 1 1 80 80 LYS C C 80 178.413 178.413 178.306 0.107 19231 7382 1 13 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.321 0.740 19231 7383 1 13 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.499 1.939 19231 7384 1 13 . 1 1 80 80 LYS H H 80 7.419 7.419 7.614 -0.195 19231 7385 1 13 . 1 1 81 81 ILE N N 81 108.393 108.393 111.594 -3.201 19231 7386 1 13 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.031 0.653 19231 7387 1 13 . 1 1 81 81 ILE C C 81 174.986 174.986 176.643 -1.657 19231 7388 1 13 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.885 -0.739 19231 7389 1 13 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.276 0.936 19231 7390 1 13 . 1 1 81 81 ILE H H 81 8.162 8.162 7.645 0.517 19231 7391 1 13 . 1 1 82 82 GLY N N 82 113.636 113.636 109.677 3.959 19231 7392 1 13 . 1 1 82 82 GLY C C 82 175.419 175.419 175.086 0.333 19231 7393 1 13 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.831 0.025 19231 7394 1 13 . 1 1 82 82 GLY H H 82 7.852 7.852 7.656 0.196 19231 7395 1 13 . 1 1 83 83 LYS N N 83 125.732 125.732 121.864 3.868 19231 7396 1 13 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.890 -0.160 19231 7397 1 13 . 1 1 83 83 LYS C C 83 178.177 178.177 178.311 -0.134 19231 7398 1 13 . 1 1 83 83 LYS CA C 83 59.922 59.922 59.053 0.869 19231 7399 1 13 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.917 0.449 19231 7400 1 13 . 1 1 83 83 LYS H H 83 8.511 8.511 7.958 0.553 19231 7401 1 13 . 1 1 84 84 SER N N 84 110.852 110.852 116.457 -5.605 19231 7402 1 13 . 1 1 84 84 SER HA H 84 4.346 4.346 4.262 0.084 19231 7403 1 13 . 1 1 84 84 SER C C 84 175.008 175.008 176.045 -1.037 19231 7404 1 13 . 1 1 84 84 SER CA C 84 58.935 58.935 61.302 -2.367 19231 7405 1 13 . 1 1 84 84 SER CB C 84 63.140 63.140 62.912 0.228 19231 7406 1 13 . 1 1 84 84 SER H H 84 8.438 8.438 8.223 0.215 19231 7407 1 13 . 1 1 85 85 ARG N N 85 118.561 118.561 118.952 -0.391 19231 7408 1 13 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.309 -0.079 19231 7409 1 13 . 1 1 85 85 ARG C C 85 176.208 176.208 174.975 1.233 19231 7410 1 13 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.936 1.220 19231 7411 1 13 . 1 1 85 85 ARG CB C 85 30.388 30.388 29.949 0.439 19231 7412 1 13 . 1 1 85 85 ARG H H 85 7.656 7.656 7.784 -0.128 19231 7413 1 13 . 1 1 86 86 ILE N N 86 113.200 113.200 116.282 -3.082 19231 7414 1 13 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.321 0.574 19231 7415 1 13 . 1 1 86 86 ILE C C 86 175.573 175.573 173.742 1.831 19231 7416 1 13 . 1 1 86 86 ILE CA C 86 59.461 59.461 59.464 -0.003 19231 7417 1 13 . 1 1 86 86 ILE CB C 86 39.188 39.188 41.681 -2.493 19231 7418 1 13 . 1 1 86 86 ILE H H 86 6.880 6.880 7.589 -0.709 19231 7419 1 13 . 1 1 87 87 ARG N N 87 128.727 128.727 124.268 4.459 19231 7420 1 13 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.798 -0.001 19231 7421 1 13 . 1 1 87 87 ARG C C 87 176.501 176.501 174.831 1.670 19231 7422 1 13 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.666 -1.002 19231 7423 1 13 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.920 -1.909 19231 7424 1 13 . 1 1 87 87 ARG H H 87 9.786 9.786 8.566 1.220 19231 7425 1 13 . 1 1 88 88 THR N N 88 122.821 122.821 115.835 6.986 19231 7426 1 13 . 1 1 88 88 THR HA H 88 4.138 4.138 4.101 0.037 19231 7427 1 13 . 1 1 88 88 THR C C 88 173.802 173.802 174.509 -0.707 19231 7428 1 13 . 1 1 88 88 THR CA C 88 63.514 63.514 60.679 2.835 19231 7429 1 13 . 1 1 88 88 THR CB C 88 68.908 68.908 69.924 -1.016 19231 7430 1 13 . 1 1 88 88 THR H H 88 9.421 9.421 8.476 0.945 19231 7431 1 13 . 1 1 89 89 VAL N N 89 130.400 130.400 126.276 4.124 19231 7432 1 13 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.165 0.015 19231 7433 1 13 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.532 -0.155 19231 7434 1 13 . 1 1 89 89 VAL CB C 89 30.886 30.886 30.776 0.110 19231 7435 1 13 . 1 1 89 89 VAL H H 89 8.400 8.400 7.787 0.613 19231 7436 1 13 . 1 1 91 91 GLY C C 91 173.530 173.530 174.346 -0.816 19231 7437 1 13 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.983 -0.458 19231 7438 1 13 . 1 1 92 92 PHE N N 92 119.601 119.601 121.833 -2.232 19231 7439 1 13 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.404 0.037 19231 7440 1 13 . 1 1 92 92 PHE C C 92 174.744 174.744 175.355 -0.611 19231 7441 1 13 . 1 1 92 92 PHE CA C 92 60.054 60.054 60.867 -0.813 19231 7442 1 13 . 1 1 92 92 PHE CB C 92 43.433 43.433 39.974 3.459 19231 7443 1 13 . 1 1 92 92 PHE H H 92 8.332 8.332 8.222 0.110 19231 7444 1 13 . 1 1 93 93 GLY N N 93 105.445 105.445 103.748 1.697 19231 7445 1 13 . 1 1 93 93 GLY C C 93 171.776 171.776 172.499 -0.723 19231 7446 1 13 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.475 2.240 19231 7447 1 13 . 1 1 93 93 GLY H H 93 8.377 8.377 7.837 0.540 19231 7448 1 13 . 1 1 94 94 TYR N N 94 122.471 122.471 116.227 6.244 19231 7449 1 13 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.874 0.556 19231 7450 1 13 . 1 1 94 94 TYR C C 94 172.889 172.889 173.987 -1.098 19231 7451 1 13 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.800 -0.431 19231 7452 1 13 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.990 0.062 19231 7453 1 13 . 1 1 94 94 TYR H H 94 8.475 8.475 7.902 0.573 19231 7454 1 13 . 1 1 95 95 MET N N 95 118.643 118.643 119.281 -0.638 19231 7455 1 13 . 1 1 95 95 MET HA H 95 4.890 4.890 4.857 0.033 19231 7456 1 13 . 1 1 95 95 MET C C 95 173.438 173.438 173.680 -0.242 19231 7457 1 13 . 1 1 95 95 MET CA C 95 54.125 54.125 54.925 -0.800 19231 7458 1 13 . 1 1 95 95 MET CB C 95 39.364 39.364 36.871 2.493 19231 7459 1 13 . 1 1 95 95 MET H H 95 8.936 8.936 8.533 0.403 19231 7460 1 13 . 1 1 96 96 LEU N N 96 130.194 130.194 125.862 4.332 19231 7461 1 13 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.445 0.635 19231 7462 1 13 . 1 1 96 96 LEU C C 96 174.912 174.912 176.343 -1.431 19231 7463 1 13 . 1 1 96 96 LEU CA C 96 53.482 53.482 54.459 -0.977 19231 7464 1 13 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.539 1.217 19231 7465 1 13 . 1 1 96 96 LEU H H 96 9.848 9.848 8.832 1.016 19231 7466 1 13 . 1 1 97 97 ALA N N 97 131.168 131.168 125.226 5.942 19231 7467 1 13 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.278 0.058 19231 7468 1 13 . 1 1 97 97 ALA C C 97 176.560 176.560 177.351 -0.791 19231 7469 1 13 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.121 -0.226 19231 7470 1 13 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.393 0.618 19231 7471 1 13 . 1 1 97 97 ALA H H 97 8.681 8.681 8.483 0.198 19231 7472 1 13 . 1 1 98 98 ASN N N 98 118.268 118.268 121.094 -2.826 19231 7473 1 13 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.454 0.226 19231 7474 1 13 . 1 1 98 98 ASN C C 98 174.939 174.939 173.727 1.212 19231 7475 1 13 . 1 1 98 98 ASN CA C 98 52.429 52.429 54.923 -2.494 19231 7476 1 13 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.687 0.225 19231 7477 1 13 . 1 1 98 98 ASN H H 98 8.654 8.654 8.930 -0.276 19231 7478 1 13 . 1 1 99 99 ASN N N 99 117.488 117.488 112.464 5.024 19231 7479 1 13 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.759 0.041 19231 7480 1 13 . 1 1 99 99 ASN C C 99 174.744 174.744 174.406 0.338 19231 7481 1 13 . 1 1 99 99 ASN CA C 99 53.048 53.048 52.282 0.766 19231 7482 1 13 . 1 1 99 99 ASN CB C 99 39.039 39.039 39.040 -0.001 19231 7483 1 13 . 1 1 99 99 ASN H H 99 8.131 8.131 7.716 0.415 19231 7484 1 13 . 1 1 100 100 ILE N N 100 118.881 118.881 119.630 -0.749 19231 7485 1 13 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.953 0.287 19231 7486 1 13 . 1 1 100 100 ILE C C 100 175.769 175.769 175.799 -0.030 19231 7487 1 13 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.966 -1.962 19231 7488 1 13 . 1 1 100 100 ILE CB C 100 38.679 38.679 38.029 0.650 19231 7489 1 13 . 1 1 100 100 ILE H H 100 8.139 8.139 8.612 -0.473 19231 7490 1 13 . 1 1 101 101 ASP N N 101 123.516 123.516 112.346 11.170 19231 7491 1 13 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.624 0.096 19231 7492 1 13 . 1 1 101 101 ASP C C 101 176.210 176.210 176.344 -0.134 19231 7493 1 13 . 1 1 101 101 ASP CA C 101 54.513 54.513 54.590 -0.077 19231 7494 1 13 . 1 1 101 101 ASP CB C 101 41.221 41.221 39.752 1.468 19231 7495 1 13 . 1 1 101 101 ASP H H 101 8.426 8.426 7.918 0.508 19231 7496 1 13 . 1 1 102 102 THR N N 102 113.358 113.358 118.031 -4.673 19231 7497 1 13 . 1 1 102 102 THR HA H 102 4.360 4.360 4.267 0.093 19231 7498 1 13 . 1 1 102 102 THR C C 102 173.733 173.733 174.180 -0.447 19231 7499 1 13 . 1 1 102 102 THR CA C 102 61.477 61.477 62.703 -1.226 19231 7500 1 13 . 1 1 102 102 THR CB C 102 69.788 69.788 67.822 1.966 19231 7501 1 13 . 1 1 102 102 THR H H 102 8.045 8.045 8.196 -0.151 19231 7502 1 14 . 1 1 2 2 GLN N N 2 121.990 121.990 119.179 2.811 19231 7503 1 14 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.103 0.234 19231 7504 1 14 . 1 1 2 2 GLN C C 2 176.320 176.320 175.384 0.936 19231 7505 1 14 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.677 -0.382 19231 7506 1 14 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.584 1.686 19231 7507 1 14 . 1 1 2 2 GLN H H 2 8.705 8.705 8.773 -0.068 19231 7508 1 14 . 1 1 3 3 GLY N N 3 110.481 110.481 107.388 3.093 19231 7509 1 14 . 1 1 3 3 GLY C C 3 174.116 174.116 173.082 1.034 19231 7510 1 14 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.065 0.050 19231 7511 1 14 . 1 1 3 3 GLY H H 3 8.540 8.540 8.416 0.124 19231 7512 1 14 . 1 1 4 4 ASP N N 4 120.750 120.750 121.796 -1.046 19231 7513 1 14 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.694 -0.053 19231 7514 1 14 . 1 1 4 4 ASP C C 4 175.974 175.974 175.215 0.759 19231 7515 1 14 . 1 1 4 4 ASP CA C 4 54.456 54.456 54.713 -0.257 19231 7516 1 14 . 1 1 4 4 ASP CB C 4 41.190 41.190 41.694 -0.504 19231 7517 1 14 . 1 1 4 4 ASP H H 4 8.251 8.251 8.300 -0.049 19231 7518 1 14 . 1 1 5 5 ASN N N 5 118.421 118.421 118.243 0.178 19231 7519 1 14 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.895 -0.134 19231 7520 1 14 . 1 1 5 5 ASN C C 5 174.017 174.017 173.137 0.880 19231 7521 1 14 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.375 -0.021 19231 7522 1 14 . 1 1 5 5 ASN CB C 5 38.936 38.936 41.917 -2.981 19231 7523 1 14 . 1 1 5 5 ASN H H 5 8.513 8.513 8.226 0.287 19231 7524 1 14 . 1 1 6 6 GLU N N 6 120.905 120.905 120.158 0.747 19231 7525 1 14 . 1 1 6 6 GLU HA H 6 5.472 5.472 4.957 0.515 19231 7526 1 14 . 1 1 6 6 GLU C C 6 175.808 175.808 174.646 1.162 19231 7527 1 14 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.594 -0.499 19231 7528 1 14 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.304 -0.291 19231 7529 1 14 . 1 1 6 6 GLU H H 6 8.116 8.116 8.372 -0.256 19231 7530 1 14 . 1 1 7 7 ILE N N 7 122.567 122.567 115.100 7.467 19231 7531 1 14 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.770 -0.236 19231 7532 1 14 . 1 1 7 7 ILE C C 7 174.653 174.653 173.883 0.770 19231 7533 1 14 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.427 0.686 19231 7534 1 14 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.803 -0.461 19231 7535 1 14 . 1 1 7 7 ILE H H 7 8.966 8.966 8.555 0.411 19231 7536 1 14 . 1 1 8 8 SER N N 8 120.446 120.446 117.373 3.073 19231 7537 1 14 . 1 1 8 8 SER HA H 8 5.536 5.536 5.663 -0.127 19231 7538 1 14 . 1 1 8 8 SER C C 8 174.082 174.082 173.616 0.466 19231 7539 1 14 . 1 1 8 8 SER CA C 8 57.050 57.050 56.836 0.214 19231 7540 1 14 . 1 1 8 8 SER CB C 8 65.470 65.470 66.593 -1.123 19231 7541 1 14 . 1 1 8 8 SER H H 8 8.773 8.773 8.328 0.445 19231 7542 1 14 . 1 1 9 9 VAL N N 9 124.896 124.896 121.533 3.363 19231 7543 1 14 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.283 -0.093 19231 7544 1 14 . 1 1 9 9 VAL C C 9 176.141 176.141 176.067 0.074 19231 7545 1 14 . 1 1 9 9 VAL CA C 9 61.298 61.298 62.072 -0.774 19231 7546 1 14 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.722 1.041 19231 7547 1 14 . 1 1 9 9 VAL H H 9 8.874 8.874 8.786 0.088 19231 7548 1 14 . 1 1 10 10 GLY N N 10 117.992 117.992 117.283 0.709 19231 7549 1 14 . 1 1 10 10 GLY C C 10 174.785 174.785 174.644 0.141 19231 7550 1 14 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.679 0.651 19231 7551 1 14 . 1 1 10 10 GLY H H 10 9.114 9.114 8.563 0.551 19231 7552 1 14 . 1 1 11 11 ASN N N 11 124.908 124.908 122.967 1.941 19231 7553 1 14 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.768 -0.080 19231 7554 1 14 . 1 1 11 11 ASN C C 11 174.765 174.765 174.772 -0.007 19231 7555 1 14 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.870 0.008 19231 7556 1 14 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.245 -1.968 19231 7557 1 14 . 1 1 11 11 ASN H H 11 8.609 8.609 8.522 0.087 19231 7558 1 14 . 1 1 12 12 LEU N N 12 123.550 123.550 122.324 1.226 19231 7559 1 14 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.021 0.394 19231 7560 1 14 . 1 1 12 12 LEU C C 12 175.653 175.653 176.060 -0.407 19231 7561 1 14 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.008 -0.071 19231 7562 1 14 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.394 2.044 19231 7563 1 14 . 1 1 12 12 LEU H H 12 8.256 8.256 7.399 0.857 19231 7564 1 14 . 1 1 13 13 ARG N N 13 124.719 124.719 123.923 0.796 19231 7565 1 14 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.808 0.419 19231 7566 1 14 . 1 1 13 13 ARG C C 13 173.394 173.394 174.569 -1.175 19231 7567 1 14 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.303 -0.286 19231 7568 1 14 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.635 1.872 19231 7569 1 14 . 1 1 13 13 ARG H H 13 9.169 9.169 8.266 0.903 19231 7570 1 14 . 1 1 14 14 LEU N N 14 127.743 127.743 125.882 1.861 19231 7571 1 14 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.699 0.617 19231 7572 1 14 . 1 1 14 14 LEU C C 14 174.807 174.807 174.708 0.099 19231 7573 1 14 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.652 0.164 19231 7574 1 14 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.381 0.425 19231 7575 1 14 . 1 1 14 14 LEU H H 14 9.394 9.394 9.236 0.158 19231 7576 1 14 . 1 1 15 15 ASN N N 15 125.577 125.577 125.518 0.059 19231 7577 1 14 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.187 0.220 19231 7578 1 14 . 1 1 15 15 ASN C C 15 175.621 175.621 175.443 0.178 19231 7579 1 14 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.863 -0.819 19231 7580 1 14 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.477 -0.410 19231 7581 1 14 . 1 1 15 15 ASN H H 15 9.520 9.520 8.368 1.152 19231 7582 1 14 . 1 1 16 16 VAL N N 16 123.478 123.478 126.196 -2.718 19231 7583 1 14 . 1 1 16 16 VAL HA H 16 4.080 4.080 4.051 0.029 19231 7584 1 14 . 1 1 16 16 VAL C C 16 177.902 177.902 177.363 0.539 19231 7585 1 14 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.484 -1.070 19231 7586 1 14 . 1 1 16 16 VAL CB C 16 32.204 32.204 32.152 0.052 19231 7587 1 14 . 1 1 16 16 VAL H H 16 8.759 8.759 8.597 0.162 19231 7588 1 14 . 1 1 17 17 THR N N 17 117.004 117.004 115.117 1.887 19231 7589 1 14 . 1 1 17 17 THR HA H 17 4.340 4.340 4.082 0.258 19231 7590 1 14 . 1 1 17 17 THR C C 17 176.177 176.177 175.896 0.281 19231 7591 1 14 . 1 1 17 17 THR CA C 17 65.922 65.922 64.898 1.024 19231 7592 1 14 . 1 1 17 17 THR CB C 17 68.899 68.899 69.217 -0.318 19231 7593 1 14 . 1 1 17 17 THR H H 17 8.045 8.045 7.630 0.415 19231 7594 1 14 . 1 1 18 18 ARG N N 18 117.565 117.565 118.920 -1.355 19231 7595 1 14 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.325 -0.127 19231 7596 1 14 . 1 1 18 18 ARG C C 18 174.802 174.802 175.782 -0.980 19231 7597 1 14 . 1 1 18 18 ARG CA C 18 55.605 55.605 56.043 -0.438 19231 7598 1 14 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.561 0.664 19231 7599 1 14 . 1 1 18 18 ARG H H 18 8.035 8.035 8.329 -0.294 19231 7600 1 14 . 1 1 19 19 ARG N N 19 117.471 117.471 118.694 -1.223 19231 7601 1 14 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.410 0.504 19231 7602 1 14 . 1 1 19 19 ARG C C 19 174.359 174.359 174.127 0.232 19231 7603 1 14 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.247 0.240 19231 7604 1 14 . 1 1 19 19 ARG CB C 19 26.248 26.248 28.068 -1.820 19231 7605 1 14 . 1 1 19 19 ARG H H 19 7.877 7.877 7.823 0.054 19231 7606 1 14 . 1 1 20 20 LEU N N 20 118.701 118.701 120.230 -1.529 19231 7607 1 14 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.561 -0.031 19231 7608 1 14 . 1 1 20 20 LEU C C 20 174.619 174.619 173.632 0.987 19231 7609 1 14 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.899 -1.045 19231 7610 1 14 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.424 0.823 19231 7611 1 14 . 1 1 20 20 LEU H H 20 7.565 7.565 7.766 -0.201 19231 7612 1 14 . 1 1 21 21 VAL N N 21 120.636 120.636 120.134 0.502 19231 7613 1 14 . 1 1 21 21 VAL HA H 21 5.197 5.197 4.832 0.365 19231 7614 1 14 . 1 1 21 21 VAL C C 21 174.036 174.036 174.581 -0.545 19231 7615 1 14 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.905 -1.034 19231 7616 1 14 . 1 1 21 21 VAL CB C 21 34.448 34.448 35.130 -0.682 19231 7617 1 14 . 1 1 21 21 VAL H H 21 8.466 8.466 8.363 0.103 19231 7618 1 14 . 1 1 22 22 TRP N N 22 126.709 126.709 126.311 0.398 19231 7619 1 14 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.238 -0.108 19231 7620 1 14 . 1 1 22 22 TRP C C 22 174.877 174.877 175.036 -0.159 19231 7621 1 14 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.509 0.558 19231 7622 1 14 . 1 1 22 22 TRP CB C 22 33.137 33.137 31.054 2.083 19231 7623 1 14 . 1 1 22 22 TRP H H 22 9.596 9.596 8.523 1.073 19231 7624 1 14 . 1 1 23 23 LEU N N 23 123.443 123.443 126.201 -2.758 19231 7625 1 14 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.646 0.388 19231 7626 1 14 . 1 1 23 23 LEU C C 23 177.552 177.552 176.577 0.975 19231 7627 1 14 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.867 -0.440 19231 7628 1 14 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.288 0.635 19231 7629 1 14 . 1 1 23 23 LEU H H 23 8.834 8.834 9.276 -0.442 19231 7630 1 14 . 1 1 24 24 GLY N N 24 117.546 117.546 116.438 1.108 19231 7631 1 14 . 1 1 24 24 GLY C C 24 174.915 174.915 174.940 -0.025 19231 7632 1 14 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.703 1.517 19231 7633 1 14 . 1 1 24 24 GLY H H 24 9.401 9.401 8.581 0.820 19231 7634 1 14 . 1 1 25 25 GLU N N 25 124.565 124.565 113.006 11.559 19231 7635 1 14 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.870 0.458 19231 7636 1 14 . 1 1 25 25 GLU C C 25 176.350 176.350 175.787 0.563 19231 7637 1 14 . 1 1 25 25 GLU CA C 25 56.400 56.400 57.874 -1.474 19231 7638 1 14 . 1 1 25 25 GLU CB C 25 29.811 29.811 27.797 2.014 19231 7639 1 14 . 1 1 25 25 GLU H H 25 9.051 9.051 8.852 0.199 19231 7640 1 14 . 1 1 26 26 THR N N 26 117.538 117.538 110.804 6.734 19231 7641 1 14 . 1 1 26 26 THR HA H 26 4.305 4.305 4.613 -0.308 19231 7642 1 14 . 1 1 26 26 THR C C 26 173.226 173.226 173.674 -0.448 19231 7643 1 14 . 1 1 26 26 THR CA C 26 62.118 62.118 60.557 1.560 19231 7644 1 14 . 1 1 26 26 THR CB C 26 70.399 70.399 71.097 -0.698 19231 7645 1 14 . 1 1 26 26 THR H H 26 8.140 8.140 7.563 0.577 19231 7646 1 14 . 1 1 27 27 ALA N N 27 131.183 131.183 128.962 2.221 19231 7647 1 14 . 1 1 27 27 ALA HA H 27 4.090 4.090 4.066 0.024 19231 7648 1 14 . 1 1 27 27 ALA C C 27 177.483 177.483 176.904 0.579 19231 7649 1 14 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.575 -0.141 19231 7650 1 14 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.788 -0.873 19231 7651 1 14 . 1 1 27 27 ALA H H 27 8.937 8.937 8.739 0.198 19231 7652 1 14 . 1 1 28 28 LEU N N 28 124.160 124.160 125.717 -1.557 19231 7653 1 14 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.295 0.041 19231 7654 1 14 . 1 1 28 28 LEU C C 28 176.114 176.114 176.252 -0.138 19231 7655 1 14 . 1 1 28 28 LEU CA C 28 53.606 53.606 55.163 -1.557 19231 7656 1 14 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.120 0.202 19231 7657 1 14 . 1 1 28 28 LEU H H 28 8.663 8.663 8.371 0.292 19231 7658 1 14 . 1 1 29 29 ASP N N 29 124.715 124.715 128.040 -3.325 19231 7659 1 14 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.832 -0.122 19231 7660 1 14 . 1 1 29 29 ASP C C 29 174.721 174.721 175.080 -0.359 19231 7661 1 14 . 1 1 29 29 ASP CA C 29 53.324 53.324 54.149 -0.825 19231 7662 1 14 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.612 -0.276 19231 7663 1 14 . 1 1 29 29 ASP H H 29 8.690 8.690 8.544 0.146 19231 7664 1 14 . 1 1 30 30 LEU N N 30 123.472 123.472 121.751 1.721 19231 7665 1 14 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.857 -0.026 19231 7666 1 14 . 1 1 30 30 LEU C C 30 177.944 177.944 175.564 2.380 19231 7667 1 14 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.083 -0.146 19231 7668 1 14 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.864 -0.884 19231 7669 1 14 . 1 1 30 30 LEU H H 30 7.969 7.969 7.868 0.101 19231 7670 1 14 . 1 1 31 31 THR N N 31 115.969 115.969 111.069 4.900 19231 7671 1 14 . 1 1 31 31 THR HA H 31 4.700 4.700 4.455 0.245 19231 7672 1 14 . 1 1 31 31 THR C C 31 173.645 173.645 174.928 -1.283 19231 7673 1 14 . 1 1 31 31 THR CA C 31 60.704 60.704 59.838 0.866 19231 7674 1 14 . 1 1 31 31 THR CB C 31 67.869 67.869 68.469 -0.599 19231 7675 1 14 . 1 1 31 31 THR H H 31 8.864 8.864 8.196 0.668 19231 7676 1 14 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.216 0.064 19231 7677 1 14 . 1 1 32 32 PRO C C 32 178.657 178.657 178.363 0.294 19231 7678 1 14 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.575 0.929 19231 7679 1 14 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.697 0.282 19231 7680 1 14 . 1 1 33 33 LYS N N 33 116.417 116.417 116.874 -0.457 19231 7681 1 14 . 1 1 33 33 LYS HA H 33 3.924 3.924 4.059 -0.135 19231 7682 1 14 . 1 1 33 33 LYS C C 33 178.084 178.084 179.250 -1.166 19231 7683 1 14 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.048 0.617 19231 7684 1 14 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.252 1.320 19231 7685 1 14 . 1 1 33 33 LYS H H 33 8.044 8.044 8.684 -0.640 19231 7686 1 14 . 1 1 34 34 GLU N N 34 118.272 118.272 119.127 -0.855 19231 7687 1 14 . 1 1 34 34 GLU HA H 34 3.620 3.620 4.139 -0.519 19231 7688 1 14 . 1 1 34 34 GLU C C 34 178.512 178.512 178.492 0.020 19231 7689 1 14 . 1 1 34 34 GLU CA C 34 59.544 59.544 58.257 1.287 19231 7690 1 14 . 1 1 34 34 GLU CB C 34 30.521 30.521 28.831 1.690 19231 7691 1 14 . 1 1 34 34 GLU H H 34 7.376 7.376 7.676 -0.300 19231 7692 1 14 . 1 1 35 35 TYR N N 35 118.351 118.351 120.658 -2.307 19231 7693 1 14 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.052 -0.355 19231 7694 1 14 . 1 1 35 35 TYR C C 35 177.597 177.597 176.815 0.782 19231 7695 1 14 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.619 0.682 19231 7696 1 14 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.149 -0.215 19231 7697 1 14 . 1 1 35 35 TYR H H 35 8.950 8.950 7.766 1.184 19231 7698 1 14 . 1 1 36 36 ALA N N 36 123.913 123.913 121.714 2.199 19231 7699 1 14 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.096 -0.353 19231 7700 1 14 . 1 1 36 36 ALA C C 36 180.061 180.061 179.100 0.961 19231 7701 1 14 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.824 0.589 19231 7702 1 14 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.464 -0.402 19231 7703 1 14 . 1 1 36 36 ALA H H 36 8.147 8.147 7.323 0.824 19231 7704 1 14 . 1 1 37 37 LEU N N 37 116.924 116.924 119.591 -2.667 19231 7705 1 14 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.022 -0.112 19231 7706 1 14 . 1 1 37 37 LEU C C 37 177.760 177.760 179.289 -1.529 19231 7707 1 14 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.538 -0.202 19231 7708 1 14 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.549 1.494 19231 7709 1 14 . 1 1 37 37 LEU H H 37 7.651 7.651 7.446 0.205 19231 7710 1 14 . 1 1 38 38 LEU N N 38 118.232 118.232 119.757 -1.525 19231 7711 1 14 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.726 0.144 19231 7712 1 14 . 1 1 38 38 LEU C C 38 178.524 178.524 178.494 0.030 19231 7713 1 14 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.215 -0.818 19231 7714 1 14 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.554 -0.425 19231 7715 1 14 . 1 1 38 38 LEU H H 38 8.550 8.550 8.791 -0.241 19231 7716 1 14 . 1 1 39 39 SER N N 39 113.045 113.045 114.539 -1.494 19231 7717 1 14 . 1 1 39 39 SER HA H 39 3.700 3.700 3.940 -0.240 19231 7718 1 14 . 1 1 39 39 SER C C 39 175.854 175.854 176.782 -0.928 19231 7719 1 14 . 1 1 39 39 SER CA C 39 62.126 62.126 61.356 0.770 19231 7720 1 14 . 1 1 39 39 SER CB C 39 68.227 68.227 62.835 5.392 19231 7721 1 14 . 1 1 39 39 SER H H 39 8.540 8.540 7.713 0.827 19231 7722 1 14 . 1 1 40 40 ARG N N 40 121.521 121.521 122.355 -0.834 19231 7723 1 14 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.097 -0.087 19231 7724 1 14 . 1 1 40 40 ARG C C 40 178.731 178.731 179.095 -0.364 19231 7725 1 14 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.401 -0.090 19231 7726 1 14 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.347 -0.822 19231 7727 1 14 . 1 1 40 40 ARG H H 40 7.112 7.112 7.515 -0.403 19231 7728 1 14 . 1 1 41 41 LEU N N 41 115.939 115.939 119.824 -3.885 19231 7729 1 14 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.971 0.021 19231 7730 1 14 . 1 1 41 41 LEU C C 41 180.049 180.049 178.898 1.151 19231 7731 1 14 . 1 1 41 41 LEU CA C 41 57.836 57.836 57.780 0.056 19231 7732 1 14 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.657 0.359 19231 7733 1 14 . 1 1 41 41 LEU H H 41 7.960 7.960 7.966 -0.006 19231 7734 1 14 . 1 1 42 42 MET N N 42 116.335 116.335 116.759 -0.424 19231 7735 1 14 . 1 1 42 42 MET HA H 42 3.877 3.877 4.144 -0.267 19231 7736 1 14 . 1 1 42 42 MET C C 42 178.748 178.748 179.153 -0.405 19231 7737 1 14 . 1 1 42 42 MET CA C 42 59.530 59.530 57.166 2.364 19231 7738 1 14 . 1 1 42 42 MET CB C 42 33.449 33.449 32.281 1.168 19231 7739 1 14 . 1 1 42 42 MET H H 42 8.825 8.825 7.846 0.979 19231 7740 1 14 . 1 1 43 43 MET N N 43 119.000 119.000 118.068 0.932 19231 7741 1 14 . 1 1 43 43 MET HA H 43 4.137 4.137 4.166 -0.029 19231 7742 1 14 . 1 1 43 43 MET C C 43 176.813 176.813 177.522 -0.709 19231 7743 1 14 . 1 1 43 43 MET CA C 43 58.405 58.405 58.645 -0.240 19231 7744 1 14 . 1 1 43 43 MET CB C 43 32.382 32.382 32.719 -0.337 19231 7745 1 14 . 1 1 43 43 MET H H 43 8.250 8.250 8.383 -0.133 19231 7746 1 14 . 1 1 44 44 LYS N N 44 117.715 117.715 116.947 0.768 19231 7747 1 14 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.546 0.085 19231 7748 1 14 . 1 1 44 44 LYS C C 44 175.226 175.226 174.952 0.274 19231 7749 1 14 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.810 -1.984 19231 7750 1 14 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.572 -1.101 19231 7751 1 14 . 1 1 44 44 LYS H H 44 7.088 7.088 7.370 -0.282 19231 7752 1 14 . 1 1 45 45 ALA N N 45 122.613 122.613 122.375 0.238 19231 7753 1 14 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.446 -0.127 19231 7754 1 14 . 1 1 45 45 ALA C C 45 178.994 178.994 178.142 0.852 19231 7755 1 14 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.180 1.494 19231 7756 1 14 . 1 1 45 45 ALA CB C 45 19.397 19.397 19.079 0.318 19231 7757 1 14 . 1 1 45 45 ALA H H 45 6.952 6.952 7.611 -0.659 19231 7758 1 14 . 1 1 46 46 GLY N N 46 109.561 109.561 110.776 -1.215 19231 7759 1 14 . 1 1 46 46 GLY C C 46 173.547 173.547 174.162 -0.615 19231 7760 1 14 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.108 0.358 19231 7761 1 14 . 1 1 46 46 GLY H H 46 8.944 8.944 8.507 0.437 19231 7762 1 14 . 1 1 47 47 SER N N 47 116.886 116.886 116.189 0.697 19231 7763 1 14 . 1 1 47 47 SER HA H 47 5.130 5.130 4.924 0.206 19231 7764 1 14 . 1 1 47 47 SER C C 47 170.481 170.481 171.701 -1.220 19231 7765 1 14 . 1 1 47 47 SER CA C 47 55.988 55.988 55.414 0.574 19231 7766 1 14 . 1 1 47 47 SER CB C 47 65.098 65.098 65.251 -0.153 19231 7767 1 14 . 1 1 47 47 SER H H 47 8.759 8.759 7.686 1.073 19231 7768 1 14 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.782 -0.364 19231 7769 1 14 . 1 1 48 48 PRO C C 48 175.854 175.854 176.369 -0.515 19231 7770 1 14 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.552 -0.106 19231 7771 1 14 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.109 0.800 19231 7772 1 14 . 1 1 49 49 VAL N N 49 124.173 124.173 124.138 0.035 19231 7773 1 14 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.248 0.163 19231 7774 1 14 . 1 1 49 49 VAL C C 49 175.186 175.186 175.627 -0.441 19231 7775 1 14 . 1 1 49 49 VAL CA C 49 61.459 61.459 61.135 0.324 19231 7776 1 14 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.539 -0.043 19231 7777 1 14 . 1 1 49 49 VAL H H 49 9.235 9.235 8.926 0.309 19231 7778 1 14 . 1 1 50 50 HIS N N 50 128.035 128.035 126.737 1.298 19231 7779 1 14 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.223 -0.653 19231 7780 1 14 . 1 1 50 50 HIS C C 50 177.130 177.130 176.113 1.017 19231 7781 1 14 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.747 2.706 19231 7782 1 14 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.870 0.672 19231 7783 1 14 . 1 1 50 50 HIS H H 50 8.791 8.791 8.759 0.032 19231 7784 1 14 . 1 1 51 51 ARG N N 51 125.631 125.631 126.637 -1.006 19231 7785 1 14 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.850 0.030 19231 7786 1 14 . 1 1 51 51 ARG C C 51 176.786 176.786 177.063 -0.277 19231 7787 1 14 . 1 1 51 51 ARG CA C 51 60.079 60.079 58.423 1.655 19231 7788 1 14 . 1 1 51 51 ARG CB C 51 30.150 30.150 28.886 1.264 19231 7789 1 14 . 1 1 51 51 ARG H H 51 8.544 8.544 8.682 -0.138 19231 7790 1 14 . 1 1 52 52 GLU N N 52 120.964 120.964 119.922 1.042 19231 7791 1 14 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.944 0.136 19231 7792 1 14 . 1 1 52 52 GLU C C 52 179.334 179.334 178.408 0.926 19231 7793 1 14 . 1 1 52 52 GLU CA C 52 59.769 59.769 59.144 0.625 19231 7794 1 14 . 1 1 52 52 GLU CB C 52 29.228 29.228 29.496 -0.268 19231 7795 1 14 . 1 1 52 52 GLU H H 52 10.831 10.831 7.038 3.793 19231 7796 1 14 . 1 1 53 53 ILE N N 53 119.337 119.337 118.985 0.352 19231 7797 1 14 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.819 0.052 19231 7798 1 14 . 1 1 53 53 ILE C C 53 178.080 178.080 178.482 -0.402 19231 7799 1 14 . 1 1 53 53 ILE CA C 53 63.110 63.110 63.720 -0.610 19231 7800 1 14 . 1 1 53 53 ILE CB C 53 37.496 37.496 36.680 0.816 19231 7801 1 14 . 1 1 53 53 ILE H H 53 7.239 7.239 7.828 -0.589 19231 7802 1 14 . 1 1 54 54 LEU N N 54 118.502 118.502 119.692 -1.190 19231 7803 1 14 . 1 1 54 54 LEU HA H 54 4.160 4.160 3.922 0.238 19231 7804 1 14 . 1 1 54 54 LEU C C 54 178.676 178.676 179.827 -1.151 19231 7805 1 14 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.819 -0.745 19231 7806 1 14 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.243 0.080 19231 7807 1 14 . 1 1 54 54 LEU H H 54 7.198 7.198 7.307 -0.109 19231 7808 1 14 . 1 1 55 55 TYR N N 55 117.114 117.114 120.449 -3.335 19231 7809 1 14 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.146 -0.011 19231 7810 1 14 . 1 1 55 55 TYR C C 55 177.987 177.987 177.398 0.589 19231 7811 1 14 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.882 -0.745 19231 7812 1 14 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.341 -0.234 19231 7813 1 14 . 1 1 55 55 TYR H H 55 8.872 8.872 8.072 0.800 19231 7814 1 14 . 1 1 56 56 ASN N N 56 116.720 116.720 114.812 1.908 19231 7815 1 14 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.627 -0.142 19231 7816 1 14 . 1 1 56 56 ASN C C 56 177.439 177.439 176.565 0.874 19231 7817 1 14 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.890 0.123 19231 7818 1 14 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.084 0.206 19231 7819 1 14 . 1 1 56 56 ASN H H 56 7.796 7.796 8.011 -0.215 19231 7820 1 14 . 1 1 57 57 ASP N N 57 118.532 118.532 120.348 -1.816 19231 7821 1 14 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.402 0.138 19231 7822 1 14 . 1 1 57 57 ASP C C 57 177.886 177.886 176.989 0.897 19231 7823 1 14 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.687 0.399 19231 7824 1 14 . 1 1 57 57 ASP CB C 57 40.880 40.880 41.156 -0.276 19231 7825 1 14 . 1 1 57 57 ASP H H 57 7.842 7.842 8.014 -0.172 19231 7826 1 14 . 1 1 58 58 ILE N N 58 109.975 109.975 116.493 -6.518 19231 7827 1 14 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.865 0.435 19231 7828 1 14 . 1 1 58 58 ILE C C 58 175.916 175.916 176.550 -0.634 19231 7829 1 14 . 1 1 58 58 ILE CA C 58 61.340 61.340 61.023 0.317 19231 7830 1 14 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.130 0.701 19231 7831 1 14 . 1 1 58 58 ILE H H 58 7.277 7.277 7.436 -0.159 19231 7832 1 14 . 1 1 59 59 TYR N N 59 122.761 122.761 118.347 4.414 19231 7833 1 14 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.253 0.043 19231 7834 1 14 . 1 1 59 59 TYR C C 59 176.037 176.037 176.007 0.030 19231 7835 1 14 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.563 1.607 19231 7836 1 14 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.715 -1.438 19231 7837 1 14 . 1 1 59 59 TYR H H 59 7.788 7.788 7.793 -0.005 19231 7838 1 14 . 1 1 60 60 SER N N 60 117.350 117.350 110.325 7.025 19231 7839 1 14 . 1 1 60 60 SER HA H 60 4.292 4.292 4.497 -0.205 19231 7840 1 14 . 1 1 60 60 SER C C 60 174.206 174.206 173.604 0.602 19231 7841 1 14 . 1 1 60 60 SER CA C 60 57.976 57.976 58.912 -0.936 19231 7842 1 14 . 1 1 60 60 SER CB C 60 63.884 63.884 64.669 -0.785 19231 7843 1 14 . 1 1 60 60 SER H H 60 7.721 7.721 8.498 -0.777 19231 7844 1 14 . 1 1 61 61 TRP N N 61 122.170 122.170 118.431 3.739 19231 7845 1 14 . 1 1 61 61 TRP HA H 61 4.477 4.477 5.049 -0.572 19231 7846 1 14 . 1 1 61 61 TRP C C 61 175.798 175.798 175.348 0.450 19231 7847 1 14 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.059 0.804 19231 7848 1 14 . 1 1 61 61 TRP CB C 61 28.826 28.826 29.291 -0.465 19231 7849 1 14 . 1 1 61 61 TRP H H 61 7.990 7.990 7.319 0.671 19231 7850 1 14 . 1 1 62 62 ASP N N 62 119.118 119.118 121.355 -2.237 19231 7851 1 14 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.549 -0.109 19231 7852 1 14 . 1 1 62 62 ASP C C 62 175.559 175.559 176.264 -0.705 19231 7853 1 14 . 1 1 62 62 ASP CA C 62 53.811 53.811 54.140 -0.329 19231 7854 1 14 . 1 1 62 62 ASP CB C 62 40.716 40.716 40.755 -0.039 19231 7855 1 14 . 1 1 62 62 ASP H H 62 7.900 7.900 7.781 0.119 19231 7856 1 14 . 1 1 63 63 ASN N N 63 117.586 117.586 117.575 0.011 19231 7857 1 14 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.456 0.090 19231 7858 1 14 . 1 1 63 63 ASN C C 63 174.737 174.737 175.792 -1.055 19231 7859 1 14 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.691 -1.533 19231 7860 1 14 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.903 -0.160 19231 7861 1 14 . 1 1 63 63 ASN H H 63 8.080 8.080 7.853 0.227 19231 7862 1 14 . 1 1 64 64 GLU N N 64 121.831 121.831 118.540 3.291 19231 7863 1 14 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.221 0.359 19231 7864 1 14 . 1 1 64 64 GLU C C 64 174.706 174.706 174.181 0.525 19231 7865 1 14 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.773 -1.012 19231 7866 1 14 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.538 0.291 19231 7867 1 14 . 1 1 64 64 GLU H H 64 8.224 8.224 8.601 -0.377 19231 7868 1 14 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.178 0.216 19231 7869 1 14 . 1 1 65 65 PRO C C 65 177.312 177.312 176.114 1.198 19231 7870 1 14 . 1 1 65 65 PRO CA C 65 63.824 63.824 63.534 0.290 19231 7871 1 14 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.061 0.810 19231 7872 1 14 . 1 1 66 66 ALA N N 66 122.755 122.755 127.162 -4.407 19231 7873 1 14 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.230 0.120 19231 7874 1 14 . 1 1 66 66 ALA C C 66 178.352 178.352 177.565 0.787 19231 7875 1 14 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.672 -0.825 19231 7876 1 14 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.871 -0.785 19231 7877 1 14 . 1 1 66 66 ALA H H 66 8.465 8.465 8.563 -0.098 19231 7878 1 14 . 1 1 67 67 THR N N 67 111.079 111.079 112.143 -1.064 19231 7879 1 14 . 1 1 67 67 THR HA H 67 4.287 4.287 4.363 -0.076 19231 7880 1 14 . 1 1 67 67 THR C C 67 175.040 175.040 172.718 2.322 19231 7881 1 14 . 1 1 67 67 THR CA C 67 62.505 62.505 60.641 1.864 19231 7882 1 14 . 1 1 67 67 THR CB C 67 69.187 69.187 70.959 -1.772 19231 7883 1 14 . 1 1 67 67 THR H H 67 8.002 8.002 7.690 0.312 19231 7884 1 14 . 1 1 68 68 ASN N N 68 120.768 120.768 121.358 -0.590 19231 7885 1 14 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.618 0.361 19231 7886 1 14 . 1 1 68 68 ASN C C 68 175.250 175.250 174.581 0.669 19231 7887 1 14 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.429 -1.393 19231 7888 1 14 . 1 1 68 68 ASN CB C 68 38.678 38.678 39.083 -0.405 19231 7889 1 14 . 1 1 68 68 ASN H H 68 8.280 8.280 8.528 -0.248 19231 7890 1 14 . 1 1 69 69 THR N N 69 112.288 112.288 116.273 -3.985 19231 7891 1 14 . 1 1 69 69 THR HA H 69 4.480 4.480 4.352 0.128 19231 7892 1 14 . 1 1 69 69 THR C C 69 175.830 175.830 175.620 0.210 19231 7893 1 14 . 1 1 69 69 THR CA C 69 62.328 62.328 63.259 -0.931 19231 7894 1 14 . 1 1 69 69 THR CB C 69 69.927 69.927 69.412 0.515 19231 7895 1 14 . 1 1 69 69 THR H H 69 7.691 7.691 8.066 -0.375 19231 7896 1 14 . 1 1 70 70 LEU N N 70 123.384 123.384 122.879 0.505 19231 7897 1 14 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.115 -0.035 19231 7898 1 14 . 1 1 70 70 LEU C C 70 177.457 177.457 178.821 -1.364 19231 7899 1 14 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.805 -0.197 19231 7900 1 14 . 1 1 70 70 LEU CB C 70 41.494 41.494 40.660 0.834 19231 7901 1 14 . 1 1 70 70 LEU H H 70 8.843 8.843 8.393 0.450 19231 7902 1 14 . 1 1 71 71 GLU N N 71 116.878 116.878 119.238 -2.360 19231 7903 1 14 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.199 -0.494 19231 7904 1 14 . 1 1 71 71 GLU C C 71 179.305 179.305 178.585 0.720 19231 7905 1 14 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.380 1.791 19231 7906 1 14 . 1 1 71 71 GLU CB C 71 28.828 28.828 28.864 -0.037 19231 7907 1 14 . 1 1 71 71 GLU H H 71 8.652 8.652 8.539 0.113 19231 7908 1 14 . 1 1 72 72 VAL N N 72 121.419 121.419 119.415 2.004 19231 7909 1 14 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.817 -0.132 19231 7910 1 14 . 1 1 72 72 VAL C C 72 177.680 177.680 177.862 -0.182 19231 7911 1 14 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.114 -0.003 19231 7912 1 14 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.541 -0.074 19231 7913 1 14 . 1 1 72 72 VAL H H 72 7.559 7.559 7.836 -0.277 19231 7914 1 14 . 1 1 73 73 HIS N N 73 118.272 118.272 119.869 -1.597 19231 7915 1 14 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.257 0.203 19231 7916 1 14 . 1 1 73 73 HIS C C 73 178.616 178.616 177.824 0.792 19231 7917 1 14 . 1 1 73 73 HIS CA C 73 60.206 60.206 60.406 -0.200 19231 7918 1 14 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.857 1.412 19231 7919 1 14 . 1 1 73 73 HIS H H 73 7.420 7.420 8.660 -1.240 19231 7920 1 14 . 1 1 74 74 ILE N N 74 118.940 118.940 119.740 -0.800 19231 7921 1 14 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.610 -0.040 19231 7922 1 14 . 1 1 74 74 ILE C C 74 177.819 177.819 177.440 0.379 19231 7923 1 14 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.504 -3.561 19231 7924 1 14 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.943 -3.668 19231 7925 1 14 . 1 1 74 74 ILE H H 74 8.515 8.515 7.725 0.790 19231 7926 1 14 . 1 1 75 75 HIS N N 75 120.484 120.484 119.852 0.632 19231 7927 1 14 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.170 0.100 19231 7928 1 14 . 1 1 75 75 HIS C C 75 177.445 177.445 177.417 0.028 19231 7929 1 14 . 1 1 75 75 HIS CA C 75 60.116 60.116 60.108 0.008 19231 7930 1 14 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.753 -0.941 19231 7931 1 14 . 1 1 75 75 HIS H H 75 8.189 8.189 8.506 -0.317 19231 7932 1 14 . 1 1 76 76 ASN N N 76 119.098 119.098 117.992 1.106 19231 7933 1 14 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.553 -0.164 19231 7934 1 14 . 1 1 76 76 ASN C C 76 178.615 178.615 177.606 1.009 19231 7935 1 14 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.350 0.155 19231 7936 1 14 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.231 -0.922 19231 7937 1 14 . 1 1 76 76 ASN H H 76 8.456 8.456 8.533 -0.077 19231 7938 1 14 . 1 1 77 77 LEU N N 77 120.517 120.517 121.302 -0.785 19231 7939 1 14 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.026 -0.075 19231 7940 1 14 . 1 1 77 77 LEU C C 77 178.945 178.945 177.994 0.951 19231 7941 1 14 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.945 0.051 19231 7942 1 14 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.309 1.797 19231 7943 1 14 . 1 1 77 77 LEU H H 77 8.579 8.579 8.052 0.527 19231 7944 1 14 . 1 1 78 78 ARG N N 78 119.521 119.521 120.086 -0.565 19231 7945 1 14 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.725 -0.065 19231 7946 1 14 . 1 1 78 78 ARG C C 78 178.766 178.766 178.271 0.495 19231 7947 1 14 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.041 -0.606 19231 7948 1 14 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.031 0.803 19231 7949 1 14 . 1 1 78 78 ARG H H 78 8.687 8.687 8.593 0.094 19231 7950 1 14 . 1 1 79 79 GLU N N 79 116.882 116.882 116.458 0.424 19231 7951 1 14 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.012 -0.083 19231 7952 1 14 . 1 1 79 79 GLU C C 79 178.226 178.226 178.504 -0.278 19231 7953 1 14 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.667 -0.001 19231 7954 1 14 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.125 0.426 19231 7955 1 14 . 1 1 79 79 GLU H H 79 7.717 7.717 7.644 0.073 19231 7956 1 14 . 1 1 80 80 LYS N N 80 116.574 116.574 117.787 -1.213 19231 7957 1 14 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.082 0.170 19231 7958 1 14 . 1 1 80 80 LYS C C 80 178.413 178.413 178.339 0.074 19231 7959 1 14 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.586 0.475 19231 7960 1 14 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.977 1.461 19231 7961 1 14 . 1 1 80 80 LYS H H 80 7.419 7.419 7.590 -0.171 19231 7962 1 14 . 1 1 81 81 ILE N N 81 108.393 108.393 111.283 -2.890 19231 7963 1 14 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.023 0.661 19231 7964 1 14 . 1 1 81 81 ILE C C 81 174.986 174.986 176.568 -1.582 19231 7965 1 14 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.873 -0.727 19231 7966 1 14 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.486 0.726 19231 7967 1 14 . 1 1 81 81 ILE H H 81 8.162 8.162 7.678 0.484 19231 7968 1 14 . 1 1 82 82 GLY N N 82 113.636 113.636 109.807 3.829 19231 7969 1 14 . 1 1 82 82 GLY C C 82 175.419 175.419 174.954 0.465 19231 7970 1 14 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.828 0.028 19231 7971 1 14 . 1 1 82 82 GLY H H 82 7.852 7.852 7.934 -0.082 19231 7972 1 14 . 1 1 83 83 LYS N N 83 125.732 125.732 122.265 3.467 19231 7973 1 14 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.896 -0.166 19231 7974 1 14 . 1 1 83 83 LYS C C 83 178.177 178.177 178.346 -0.169 19231 7975 1 14 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.950 0.972 19231 7976 1 14 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.719 0.647 19231 7977 1 14 . 1 1 83 83 LYS H H 83 8.511 8.511 7.842 0.669 19231 7978 1 14 . 1 1 84 84 SER N N 84 110.852 110.852 116.640 -5.788 19231 7979 1 14 . 1 1 84 84 SER HA H 84 4.346 4.346 4.205 0.141 19231 7980 1 14 . 1 1 84 84 SER C C 84 175.008 175.008 175.716 -0.708 19231 7981 1 14 . 1 1 84 84 SER CA C 84 58.935 58.935 60.915 -1.980 19231 7982 1 14 . 1 1 84 84 SER CB C 84 63.140 63.140 62.732 0.408 19231 7983 1 14 . 1 1 84 84 SER H H 84 8.438 8.438 8.301 0.137 19231 7984 1 14 . 1 1 85 85 ARG N N 85 118.561 118.561 119.175 -0.614 19231 7985 1 14 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.478 -0.248 19231 7986 1 14 . 1 1 85 85 ARG C C 85 176.208 176.208 175.248 0.960 19231 7987 1 14 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.181 1.975 19231 7988 1 14 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.160 0.228 19231 7989 1 14 . 1 1 85 85 ARG H H 85 7.656 7.656 7.835 -0.179 19231 7990 1 14 . 1 1 86 86 ILE N N 86 113.200 113.200 119.127 -5.927 19231 7991 1 14 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.367 0.528 19231 7992 1 14 . 1 1 86 86 ILE C C 86 175.573 175.573 175.311 0.262 19231 7993 1 14 . 1 1 86 86 ILE CA C 86 59.461 59.461 58.611 0.850 19231 7994 1 14 . 1 1 86 86 ILE CB C 86 39.188 39.188 40.024 -0.836 19231 7995 1 14 . 1 1 86 86 ILE H H 86 6.880 6.880 7.971 -1.091 19231 7996 1 14 . 1 1 87 87 ARG N N 87 128.727 128.727 123.527 5.200 19231 7997 1 14 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.688 0.109 19231 7998 1 14 . 1 1 87 87 ARG C C 87 176.501 176.501 174.932 1.569 19231 7999 1 14 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.891 -1.227 19231 8000 1 14 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.125 -1.114 19231 8001 1 14 . 1 1 87 87 ARG H H 87 9.786 9.786 8.369 1.417 19231 8002 1 14 . 1 1 88 88 THR N N 88 122.821 122.821 116.836 5.985 19231 8003 1 14 . 1 1 88 88 THR HA H 88 4.138 4.138 4.068 0.070 19231 8004 1 14 . 1 1 88 88 THR C C 88 173.802 173.802 174.583 -0.781 19231 8005 1 14 . 1 1 88 88 THR CA C 88 63.514 63.514 61.265 2.249 19231 8006 1 14 . 1 1 88 88 THR CB C 88 68.908 68.908 69.592 -0.684 19231 8007 1 14 . 1 1 88 88 THR H H 88 9.421 9.421 8.446 0.975 19231 8008 1 14 . 1 1 89 89 VAL N N 89 130.400 130.400 127.019 3.381 19231 8009 1 14 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.187 -0.007 19231 8010 1 14 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.554 -0.176 19231 8011 1 14 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.719 -0.833 19231 8012 1 14 . 1 1 89 89 VAL H H 89 8.400 8.400 7.953 0.447 19231 8013 1 14 . 1 1 91 91 GLY C C 91 173.530 173.530 174.234 -0.704 19231 8014 1 14 . 1 1 91 91 GLY CA C 91 45.525 45.525 46.216 -0.691 19231 8015 1 14 . 1 1 92 92 PHE N N 92 119.601 119.601 121.911 -2.310 19231 8016 1 14 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.405 0.036 19231 8017 1 14 . 1 1 92 92 PHE C C 92 174.744 174.744 175.642 -0.898 19231 8018 1 14 . 1 1 92 92 PHE CA C 92 60.054 60.054 60.624 -0.570 19231 8019 1 14 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.000 3.433 19231 8020 1 14 . 1 1 92 92 PHE H H 92 8.332 8.332 8.005 0.327 19231 8021 1 14 . 1 1 93 93 GLY N N 93 105.445 105.445 104.117 1.328 19231 8022 1 14 . 1 1 93 93 GLY C C 93 171.776 171.776 172.750 -0.974 19231 8023 1 14 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.428 2.287 19231 8024 1 14 . 1 1 93 93 GLY H H 93 8.377 8.377 7.929 0.448 19231 8025 1 14 . 1 1 94 94 TYR N N 94 122.471 122.471 116.168 6.303 19231 8026 1 14 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.775 0.655 19231 8027 1 14 . 1 1 94 94 TYR C C 94 172.889 172.889 173.889 -1.000 19231 8028 1 14 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.808 -0.439 19231 8029 1 14 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.929 0.123 19231 8030 1 14 . 1 1 94 94 TYR H H 94 8.475 8.475 8.098 0.377 19231 8031 1 14 . 1 1 95 95 MET N N 95 118.643 118.643 119.312 -0.669 19231 8032 1 14 . 1 1 95 95 MET HA H 95 4.890 4.890 4.821 0.069 19231 8033 1 14 . 1 1 95 95 MET C C 95 173.438 173.438 173.653 -0.215 19231 8034 1 14 . 1 1 95 95 MET CA C 95 54.125 54.125 55.367 -1.242 19231 8035 1 14 . 1 1 95 95 MET CB C 95 39.364 39.364 37.120 2.244 19231 8036 1 14 . 1 1 95 95 MET H H 95 8.936 8.936 8.494 0.442 19231 8037 1 14 . 1 1 96 96 LEU N N 96 130.194 130.194 125.967 4.227 19231 8038 1 14 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.612 0.468 19231 8039 1 14 . 1 1 96 96 LEU C C 96 174.912 174.912 176.475 -1.563 19231 8040 1 14 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.748 -0.266 19231 8041 1 14 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.934 0.822 19231 8042 1 14 . 1 1 96 96 LEU H H 96 9.848 9.848 8.753 1.095 19231 8043 1 14 . 1 1 97 97 ALA N N 97 131.168 131.168 127.168 4.000 19231 8044 1 14 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.145 0.191 19231 8045 1 14 . 1 1 97 97 ALA C C 97 176.560 176.560 177.066 -0.506 19231 8046 1 14 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.907 -1.012 19231 8047 1 14 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.205 0.806 19231 8048 1 14 . 1 1 97 97 ALA H H 97 8.681 8.681 8.233 0.448 19231 8049 1 14 . 1 1 98 98 ASN N N 98 118.268 118.268 123.133 -4.865 19231 8050 1 14 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.511 0.169 19231 8051 1 14 . 1 1 98 98 ASN C C 98 174.939 174.939 174.833 0.106 19231 8052 1 14 . 1 1 98 98 ASN CA C 98 52.429 52.429 52.774 -0.345 19231 8053 1 14 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.312 0.600 19231 8054 1 14 . 1 1 98 98 ASN H H 98 8.654 8.654 8.464 0.190 19231 8055 1 14 . 1 1 99 99 ASN N N 99 117.488 117.488 120.558 -3.070 19231 8056 1 14 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.385 0.415 19231 8057 1 14 . 1 1 99 99 ASN C C 99 174.744 174.744 175.976 -1.232 19231 8058 1 14 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.927 -0.879 19231 8059 1 14 . 1 1 99 99 ASN CB C 99 39.039 39.039 38.045 0.994 19231 8060 1 14 . 1 1 99 99 ASN H H 99 8.131 8.131 8.219 -0.088 19231 8061 1 14 . 1 1 100 100 ILE N N 100 118.881 118.881 121.278 -2.397 19231 8062 1 14 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.729 0.511 19231 8063 1 14 . 1 1 100 100 ILE C C 100 175.769 175.769 177.145 -1.376 19231 8064 1 14 . 1 1 100 100 ILE CA C 100 61.004 61.004 63.640 -2.636 19231 8065 1 14 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.898 0.781 19231 8066 1 14 . 1 1 100 100 ILE H H 100 8.139 8.139 8.752 -0.613 19231 8067 1 14 . 1 1 101 101 ASP N N 101 123.516 123.516 119.300 4.216 19231 8068 1 14 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.573 0.147 19231 8069 1 14 . 1 1 101 101 ASP C C 101 176.210 176.210 176.248 -0.038 19231 8070 1 14 . 1 1 101 101 ASP CA C 101 54.513 54.513 55.521 -1.008 19231 8071 1 14 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.753 0.468 19231 8072 1 14 . 1 1 101 101 ASP H H 101 8.426 8.426 8.171 0.255 19231 8073 1 14 . 1 1 102 102 THR N N 102 113.358 113.358 114.720 -1.362 19231 8074 1 14 . 1 1 102 102 THR HA H 102 4.360 4.360 4.075 0.285 19231 8075 1 14 . 1 1 102 102 THR C C 102 173.733 173.733 174.025 -0.292 19231 8076 1 14 . 1 1 102 102 THR CA C 102 61.477 61.477 63.135 -1.658 19231 8077 1 14 . 1 1 102 102 THR CB C 102 69.788 69.788 68.474 1.314 19231 8078 1 14 . 1 1 102 102 THR H H 102 8.045 8.045 7.649 0.396 19231 8079 1 15 . 1 1 2 2 GLN N N 2 121.990 121.990 122.101 -0.111 19231 8080 1 15 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.266 0.071 19231 8081 1 15 . 1 1 2 2 GLN C C 2 176.320 176.320 175.639 0.681 19231 8082 1 15 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.774 -0.479 19231 8083 1 15 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.526 1.744 19231 8084 1 15 . 1 1 2 2 GLN H H 2 8.705 8.705 8.422 0.283 19231 8085 1 15 . 1 1 3 3 GLY N N 3 110.481 110.481 110.140 0.341 19231 8086 1 15 . 1 1 3 3 GLY C C 3 174.116 174.116 173.325 0.791 19231 8087 1 15 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.238 -0.123 19231 8088 1 15 . 1 1 3 3 GLY H H 3 8.540 8.540 8.650 -0.110 19231 8089 1 15 . 1 1 4 4 ASP N N 4 120.750 120.750 119.257 1.493 19231 8090 1 15 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.656 -0.015 19231 8091 1 15 . 1 1 4 4 ASP C C 4 175.974 175.974 173.497 2.477 19231 8092 1 15 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.307 1.149 19231 8093 1 15 . 1 1 4 4 ASP CB C 4 41.190 41.190 41.909 -0.719 19231 8094 1 15 . 1 1 4 4 ASP H H 4 8.251 8.251 7.672 0.579 19231 8095 1 15 . 1 1 5 5 ASN N N 5 118.421 118.421 117.986 0.435 19231 8096 1 15 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.857 -0.096 19231 8097 1 15 . 1 1 5 5 ASN C C 5 174.017 174.017 173.169 0.848 19231 8098 1 15 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.281 0.073 19231 8099 1 15 . 1 1 5 5 ASN CB C 5 38.936 38.936 39.737 -0.801 19231 8100 1 15 . 1 1 5 5 ASN H H 5 8.513 8.513 8.475 0.038 19231 8101 1 15 . 1 1 6 6 GLU N N 6 120.905 120.905 120.978 -0.073 19231 8102 1 15 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.150 0.322 19231 8103 1 15 . 1 1 6 6 GLU C C 6 175.808 175.808 174.024 1.784 19231 8104 1 15 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.535 -0.440 19231 8105 1 15 . 1 1 6 6 GLU CB C 6 33.013 33.013 32.917 0.096 19231 8106 1 15 . 1 1 6 6 GLU H H 6 8.116 8.116 8.265 -0.149 19231 8107 1 15 . 1 1 7 7 ILE N N 7 122.567 122.567 120.562 2.005 19231 8108 1 15 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.611 -0.077 19231 8109 1 15 . 1 1 7 7 ILE C C 7 174.653 174.653 174.376 0.277 19231 8110 1 15 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.962 0.151 19231 8111 1 15 . 1 1 7 7 ILE CB C 7 41.342 41.342 42.311 -0.969 19231 8112 1 15 . 1 1 7 7 ILE H H 7 8.966 8.966 8.699 0.267 19231 8113 1 15 . 1 1 8 8 SER N N 8 120.446 120.446 118.492 1.954 19231 8114 1 15 . 1 1 8 8 SER HA H 8 5.536 5.536 5.361 0.175 19231 8115 1 15 . 1 1 8 8 SER C C 8 174.082 174.082 173.463 0.619 19231 8116 1 15 . 1 1 8 8 SER CA C 8 57.050 57.050 57.471 -0.421 19231 8117 1 15 . 1 1 8 8 SER CB C 8 65.470 65.470 65.874 -0.404 19231 8118 1 15 . 1 1 8 8 SER H H 8 8.773 8.773 8.438 0.335 19231 8119 1 15 . 1 1 9 9 VAL N N 9 124.896 124.896 124.210 0.686 19231 8120 1 15 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.339 -0.149 19231 8121 1 15 . 1 1 9 9 VAL C C 9 176.141 176.141 176.098 0.043 19231 8122 1 15 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.269 0.029 19231 8123 1 15 . 1 1 9 9 VAL CB C 9 33.763 33.763 31.806 1.957 19231 8124 1 15 . 1 1 9 9 VAL H H 9 8.874 8.874 8.878 -0.004 19231 8125 1 15 . 1 1 10 10 GLY N N 10 117.992 117.992 118.005 -0.013 19231 8126 1 15 . 1 1 10 10 GLY C C 10 174.785 174.785 174.506 0.279 19231 8127 1 15 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.371 0.959 19231 8128 1 15 . 1 1 10 10 GLY H H 10 9.114 9.114 8.682 0.432 19231 8129 1 15 . 1 1 11 11 ASN N N 11 124.908 124.908 121.937 2.971 19231 8130 1 15 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.693 -0.005 19231 8131 1 15 . 1 1 11 11 ASN C C 11 174.765 174.765 174.384 0.381 19231 8132 1 15 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.652 0.226 19231 8133 1 15 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.238 -1.961 19231 8134 1 15 . 1 1 11 11 ASN H H 11 8.609 8.609 8.583 0.026 19231 8135 1 15 . 1 1 12 12 LEU N N 12 123.550 123.550 122.915 0.635 19231 8136 1 15 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.148 0.267 19231 8137 1 15 . 1 1 12 12 LEU C C 12 175.653 175.653 175.210 0.443 19231 8138 1 15 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.040 -0.103 19231 8139 1 15 . 1 1 12 12 LEU CB C 12 44.438 44.438 43.994 0.444 19231 8140 1 15 . 1 1 12 12 LEU H H 12 8.256 8.256 7.343 0.913 19231 8141 1 15 . 1 1 13 13 ARG N N 13 124.719 124.719 126.020 -1.301 19231 8142 1 15 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.843 0.384 19231 8143 1 15 . 1 1 13 13 ARG C C 13 173.394 173.394 174.314 -0.920 19231 8144 1 15 . 1 1 13 13 ARG CA C 13 55.017 55.017 54.906 0.111 19231 8145 1 15 . 1 1 13 13 ARG CB C 13 34.507 34.507 33.647 0.860 19231 8146 1 15 . 1 1 13 13 ARG H H 13 9.169 9.169 8.343 0.826 19231 8147 1 15 . 1 1 14 14 LEU N N 14 127.743 127.743 125.520 2.223 19231 8148 1 15 . 1 1 14 14 LEU HA H 14 5.316 5.316 5.339 -0.023 19231 8149 1 15 . 1 1 14 14 LEU C C 14 174.807 174.807 174.159 0.648 19231 8150 1 15 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.879 -0.063 19231 8151 1 15 . 1 1 14 14 LEU CB C 14 45.806 45.806 46.229 -0.423 19231 8152 1 15 . 1 1 14 14 LEU H H 14 9.394 9.394 9.164 0.230 19231 8153 1 15 . 1 1 15 15 ASN N N 15 125.577 125.577 126.110 -0.533 19231 8154 1 15 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.277 0.130 19231 8155 1 15 . 1 1 15 15 ASN C C 15 175.621 175.621 175.892 -0.271 19231 8156 1 15 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.102 -0.058 19231 8157 1 15 . 1 1 15 15 ASN CB C 15 40.067 40.067 39.501 0.566 19231 8158 1 15 . 1 1 15 15 ASN H H 15 9.520 9.520 9.166 0.354 19231 8159 1 15 . 1 1 16 16 VAL N N 16 123.478 123.478 125.923 -2.445 19231 8160 1 15 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.986 0.094 19231 8161 1 15 . 1 1 16 16 VAL C C 16 177.902 177.902 177.378 0.524 19231 8162 1 15 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.480 -1.066 19231 8163 1 15 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.605 0.599 19231 8164 1 15 . 1 1 16 16 VAL H H 16 8.759 8.759 8.583 0.176 19231 8165 1 15 . 1 1 17 17 THR N N 17 117.004 117.004 115.394 1.610 19231 8166 1 15 . 1 1 17 17 THR HA H 17 4.340 4.340 4.064 0.276 19231 8167 1 15 . 1 1 17 17 THR C C 17 176.177 176.177 176.172 0.005 19231 8168 1 15 . 1 1 17 17 THR CA C 17 65.922 65.922 65.109 0.812 19231 8169 1 15 . 1 1 17 17 THR CB C 17 68.899 68.899 68.990 -0.091 19231 8170 1 15 . 1 1 17 17 THR H H 17 8.045 8.045 7.737 0.308 19231 8171 1 15 . 1 1 18 18 ARG N N 18 117.565 117.565 118.487 -0.922 19231 8172 1 15 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.344 -0.146 19231 8173 1 15 . 1 1 18 18 ARG C C 18 174.802 174.802 175.917 -1.115 19231 8174 1 15 . 1 1 18 18 ARG CA C 18 55.605 55.605 56.248 -0.643 19231 8175 1 15 . 1 1 18 18 ARG CB C 18 31.225 31.225 31.080 0.145 19231 8176 1 15 . 1 1 18 18 ARG H H 18 8.035 8.035 8.287 -0.252 19231 8177 1 15 . 1 1 19 19 ARG N N 19 117.471 117.471 118.808 -1.337 19231 8178 1 15 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.450 0.464 19231 8179 1 15 . 1 1 19 19 ARG C C 19 174.359 174.359 174.007 0.352 19231 8180 1 15 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.699 -0.212 19231 8181 1 15 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.344 -1.096 19231 8182 1 15 . 1 1 19 19 ARG H H 19 7.877 7.877 7.960 -0.083 19231 8183 1 15 . 1 1 20 20 LEU N N 20 118.701 118.701 119.383 -0.682 19231 8184 1 15 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.443 0.087 19231 8185 1 15 . 1 1 20 20 LEU C C 20 174.619 174.619 173.852 0.767 19231 8186 1 15 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.444 -0.590 19231 8187 1 15 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.544 0.703 19231 8188 1 15 . 1 1 20 20 LEU H H 20 7.565 7.565 7.690 -0.125 19231 8189 1 15 . 1 1 21 21 VAL N N 21 120.636 120.636 118.114 2.522 19231 8190 1 15 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.071 0.126 19231 8191 1 15 . 1 1 21 21 VAL C C 21 174.036 174.036 174.673 -0.637 19231 8192 1 15 . 1 1 21 21 VAL CA C 21 59.871 59.871 61.195 -1.324 19231 8193 1 15 . 1 1 21 21 VAL CB C 21 34.448 34.448 35.003 -0.555 19231 8194 1 15 . 1 1 21 21 VAL H H 21 8.466 8.466 8.179 0.287 19231 8195 1 15 . 1 1 22 22 TRP N N 22 126.709 126.709 126.317 0.392 19231 8196 1 15 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.381 -0.251 19231 8197 1 15 . 1 1 22 22 TRP C C 22 174.877 174.877 174.910 -0.033 19231 8198 1 15 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.066 1.001 19231 8199 1 15 . 1 1 22 22 TRP CB C 22 33.137 33.137 33.256 -0.119 19231 8200 1 15 . 1 1 22 22 TRP H H 22 9.596 9.596 9.222 0.374 19231 8201 1 15 . 1 1 23 23 LEU N N 23 123.443 123.443 123.099 0.344 19231 8202 1 15 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.676 0.358 19231 8203 1 15 . 1 1 23 23 LEU C C 23 177.552 177.552 176.705 0.847 19231 8204 1 15 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.950 -0.523 19231 8205 1 15 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.595 0.327 19231 8206 1 15 . 1 1 23 23 LEU H H 23 8.834 8.834 9.237 -0.403 19231 8207 1 15 . 1 1 24 24 GLY N N 24 117.546 117.546 117.414 0.132 19231 8208 1 15 . 1 1 24 24 GLY C C 24 174.915 174.915 175.136 -0.221 19231 8209 1 15 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.697 1.522 19231 8210 1 15 . 1 1 24 24 GLY H H 24 9.401 9.401 8.697 0.704 19231 8211 1 15 . 1 1 25 25 GLU N N 25 124.565 124.565 115.524 9.041 19231 8212 1 15 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.911 0.417 19231 8213 1 15 . 1 1 25 25 GLU C C 25 176.350 176.350 175.543 0.807 19231 8214 1 15 . 1 1 25 25 GLU CA C 25 56.400 56.400 58.217 -1.817 19231 8215 1 15 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.479 0.332 19231 8216 1 15 . 1 1 25 25 GLU H H 25 9.051 9.051 8.914 0.137 19231 8217 1 15 . 1 1 26 26 THR N N 26 117.538 117.538 111.347 6.191 19231 8218 1 15 . 1 1 26 26 THR HA H 26 4.305 4.305 4.552 -0.247 19231 8219 1 15 . 1 1 26 26 THR C C 26 173.226 173.226 173.716 -0.490 19231 8220 1 15 . 1 1 26 26 THR CA C 26 62.118 62.118 61.032 1.086 19231 8221 1 15 . 1 1 26 26 THR CB C 26 70.399 70.399 70.659 -0.260 19231 8222 1 15 . 1 1 26 26 THR H H 26 8.140 8.140 7.389 0.751 19231 8223 1 15 . 1 1 27 27 ALA N N 27 131.183 131.183 127.958 3.225 19231 8224 1 15 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.924 0.166 19231 8225 1 15 . 1 1 27 27 ALA C C 27 177.483 177.483 176.900 0.583 19231 8226 1 15 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.122 0.312 19231 8227 1 15 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.855 -0.940 19231 8228 1 15 . 1 1 27 27 ALA H H 27 8.937 8.937 8.548 0.389 19231 8229 1 15 . 1 1 28 28 LEU N N 28 124.160 124.160 125.673 -1.513 19231 8230 1 15 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.342 -0.006 19231 8231 1 15 . 1 1 28 28 LEU C C 28 176.114 176.114 176.237 -0.123 19231 8232 1 15 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.823 -1.217 19231 8233 1 15 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.641 -0.319 19231 8234 1 15 . 1 1 28 28 LEU H H 28 8.663 8.663 8.159 0.504 19231 8235 1 15 . 1 1 29 29 ASP N N 29 124.715 124.715 126.250 -1.535 19231 8236 1 15 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.687 0.023 19231 8237 1 15 . 1 1 29 29 ASP C C 29 174.721 174.721 174.932 -0.211 19231 8238 1 15 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.162 0.162 19231 8239 1 15 . 1 1 29 29 ASP CB C 29 40.336 40.336 39.921 0.415 19231 8240 1 15 . 1 1 29 29 ASP H H 29 8.690 8.690 8.452 0.238 19231 8241 1 15 . 1 1 30 30 LEU N N 30 123.472 123.472 120.115 3.357 19231 8242 1 15 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.937 -0.106 19231 8243 1 15 . 1 1 30 30 LEU C C 30 177.944 177.944 176.321 1.623 19231 8244 1 15 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.239 -0.302 19231 8245 1 15 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.587 -0.607 19231 8246 1 15 . 1 1 30 30 LEU H H 30 7.969 7.969 7.675 0.294 19231 8247 1 15 . 1 1 31 31 THR N N 31 115.969 115.969 113.351 2.618 19231 8248 1 15 . 1 1 31 31 THR HA H 31 4.700 4.700 4.488 0.212 19231 8249 1 15 . 1 1 31 31 THR C C 31 173.645 173.645 174.301 -0.656 19231 8250 1 15 . 1 1 31 31 THR CA C 31 60.704 60.704 60.640 0.064 19231 8251 1 15 . 1 1 31 31 THR CB C 31 67.869 67.869 68.547 -0.678 19231 8252 1 15 . 1 1 31 31 THR H H 31 8.864 8.864 9.370 -0.506 19231 8253 1 15 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.020 0.260 19231 8254 1 15 . 1 1 32 32 PRO C C 32 178.657 178.657 178.608 0.049 19231 8255 1 15 . 1 1 32 32 PRO CA C 32 66.504 66.504 66.106 0.398 19231 8256 1 15 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.718 0.261 19231 8257 1 15 . 1 1 33 33 LYS N N 33 116.417 116.417 116.002 0.415 19231 8258 1 15 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.944 -0.020 19231 8259 1 15 . 1 1 33 33 LYS C C 33 178.084 178.084 178.813 -0.729 19231 8260 1 15 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.575 0.090 19231 8261 1 15 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.516 1.056 19231 8262 1 15 . 1 1 33 33 LYS H H 33 8.044 8.044 8.407 -0.363 19231 8263 1 15 . 1 1 34 34 GLU N N 34 118.272 118.272 119.799 -1.527 19231 8264 1 15 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.850 -0.230 19231 8265 1 15 . 1 1 34 34 GLU C C 34 178.512 178.512 178.828 -0.316 19231 8266 1 15 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.209 0.335 19231 8267 1 15 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.485 1.036 19231 8268 1 15 . 1 1 34 34 GLU H H 34 7.376 7.376 7.481 -0.105 19231 8269 1 15 . 1 1 35 35 TYR N N 35 118.351 118.351 119.515 -1.164 19231 8270 1 15 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.052 -0.355 19231 8271 1 15 . 1 1 35 35 TYR C C 35 177.597 177.597 176.991 0.606 19231 8272 1 15 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.202 1.099 19231 8273 1 15 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.246 -0.312 19231 8274 1 15 . 1 1 35 35 TYR H H 35 8.950 8.950 7.734 1.216 19231 8275 1 15 . 1 1 36 36 ALA N N 36 123.913 123.913 122.296 1.617 19231 8276 1 15 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.058 -0.315 19231 8277 1 15 . 1 1 36 36 ALA C C 36 180.061 180.061 178.846 1.215 19231 8278 1 15 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.693 0.720 19231 8279 1 15 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.295 -0.233 19231 8280 1 15 . 1 1 36 36 ALA H H 36 8.147 8.147 7.693 0.454 19231 8281 1 15 . 1 1 37 37 LEU N N 37 116.924 116.924 120.465 -3.541 19231 8282 1 15 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.033 -0.123 19231 8283 1 15 . 1 1 37 37 LEU C C 37 177.760 177.760 178.627 -0.867 19231 8284 1 15 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.752 -0.416 19231 8285 1 15 . 1 1 37 37 LEU CB C 37 43.043 43.043 42.048 0.995 19231 8286 1 15 . 1 1 37 37 LEU H H 37 7.651 7.651 7.414 0.237 19231 8287 1 15 . 1 1 38 38 LEU N N 38 118.232 118.232 119.220 -0.988 19231 8288 1 15 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.859 0.011 19231 8289 1 15 . 1 1 38 38 LEU C C 38 178.524 178.524 178.251 0.273 19231 8290 1 15 . 1 1 38 38 LEU CA C 38 57.397 57.397 57.538 -0.141 19231 8291 1 15 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.114 0.015 19231 8292 1 15 . 1 1 38 38 LEU H H 38 8.550 8.550 8.475 0.075 19231 8293 1 15 . 1 1 39 39 SER N N 39 113.045 113.045 114.021 -0.976 19231 8294 1 15 . 1 1 39 39 SER HA H 39 3.700 3.700 3.933 -0.233 19231 8295 1 15 . 1 1 39 39 SER C C 39 175.854 175.854 176.808 -0.954 19231 8296 1 15 . 1 1 39 39 SER CA C 39 62.126 62.126 61.801 0.325 19231 8297 1 15 . 1 1 39 39 SER CB C 39 68.227 68.227 62.781 5.446 19231 8298 1 15 . 1 1 39 39 SER H H 39 8.540 8.540 7.975 0.565 19231 8299 1 15 . 1 1 40 40 ARG N N 40 121.521 121.521 121.827 -0.306 19231 8300 1 15 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.184 -0.174 19231 8301 1 15 . 1 1 40 40 ARG C C 40 178.731 178.731 178.267 0.464 19231 8302 1 15 . 1 1 40 40 ARG CA C 40 58.311 58.311 57.979 0.332 19231 8303 1 15 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.606 -1.081 19231 8304 1 15 . 1 1 40 40 ARG H H 40 7.112 7.112 7.349 -0.237 19231 8305 1 15 . 1 1 41 41 LEU N N 41 115.939 115.939 120.347 -4.408 19231 8306 1 15 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.921 0.071 19231 8307 1 15 . 1 1 41 41 LEU C C 41 180.049 180.049 179.398 0.651 19231 8308 1 15 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.171 -0.335 19231 8309 1 15 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.754 0.262 19231 8310 1 15 . 1 1 41 41 LEU H H 41 7.960 7.960 7.589 0.371 19231 8311 1 15 . 1 1 42 42 MET N N 42 116.335 116.335 116.121 0.214 19231 8312 1 15 . 1 1 42 42 MET HA H 42 3.877 3.877 4.100 -0.223 19231 8313 1 15 . 1 1 42 42 MET C C 42 178.748 178.748 178.348 0.400 19231 8314 1 15 . 1 1 42 42 MET CA C 42 59.530 59.530 56.632 2.898 19231 8315 1 15 . 1 1 42 42 MET CB C 42 33.449 33.449 31.721 1.728 19231 8316 1 15 . 1 1 42 42 MET H H 42 8.825 8.825 8.078 0.747 19231 8317 1 15 . 1 1 43 43 MET N N 43 119.000 119.000 118.943 0.057 19231 8318 1 15 . 1 1 43 43 MET HA H 43 4.137 4.137 4.251 -0.114 19231 8319 1 15 . 1 1 43 43 MET C C 43 176.813 176.813 176.435 0.378 19231 8320 1 15 . 1 1 43 43 MET CA C 43 58.405 58.405 58.293 0.112 19231 8321 1 15 . 1 1 43 43 MET CB C 43 32.382 32.382 32.891 -0.509 19231 8322 1 15 . 1 1 43 43 MET H H 43 8.250 8.250 7.432 0.818 19231 8323 1 15 . 1 1 44 44 LYS N N 44 117.715 117.715 117.644 0.071 19231 8324 1 15 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.557 0.074 19231 8325 1 15 . 1 1 44 44 LYS C C 44 175.226 175.226 174.796 0.430 19231 8326 1 15 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.651 -1.825 19231 8327 1 15 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.799 -1.328 19231 8328 1 15 . 1 1 44 44 LYS H H 44 7.088 7.088 7.399 -0.311 19231 8329 1 15 . 1 1 45 45 ALA N N 45 122.613 122.613 122.052 0.561 19231 8330 1 15 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.323 -0.004 19231 8331 1 15 . 1 1 45 45 ALA C C 45 178.994 178.994 178.421 0.573 19231 8332 1 15 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.585 1.089 19231 8333 1 15 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.941 0.456 19231 8334 1 15 . 1 1 45 45 ALA H H 45 6.952 6.952 7.504 -0.552 19231 8335 1 15 . 1 1 46 46 GLY N N 46 109.561 109.561 110.714 -1.153 19231 8336 1 15 . 1 1 46 46 GLY C C 46 173.547 173.547 174.343 -0.796 19231 8337 1 15 . 1 1 46 46 GLY CA C 46 45.466 45.466 44.960 0.506 19231 8338 1 15 . 1 1 46 46 GLY H H 46 8.944 8.944 8.724 0.220 19231 8339 1 15 . 1 1 47 47 SER N N 47 116.886 116.886 116.392 0.494 19231 8340 1 15 . 1 1 47 47 SER HA H 47 5.130 5.130 4.931 0.199 19231 8341 1 15 . 1 1 47 47 SER C C 47 170.481 170.481 171.936 -1.455 19231 8342 1 15 . 1 1 47 47 SER CA C 47 55.988 55.988 55.205 0.783 19231 8343 1 15 . 1 1 47 47 SER CB C 47 65.098 65.098 64.995 0.103 19231 8344 1 15 . 1 1 47 47 SER H H 47 8.759 8.759 7.638 1.121 19231 8345 1 15 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.885 -0.467 19231 8346 1 15 . 1 1 48 48 PRO C C 48 175.854 175.854 176.383 -0.529 19231 8347 1 15 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.623 -0.177 19231 8348 1 15 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.003 0.906 19231 8349 1 15 . 1 1 49 49 VAL N N 49 124.173 124.173 124.141 0.032 19231 8350 1 15 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.387 0.024 19231 8351 1 15 . 1 1 49 49 VAL C C 49 175.186 175.186 175.305 -0.119 19231 8352 1 15 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.931 0.528 19231 8353 1 15 . 1 1 49 49 VAL CB C 49 33.496 33.496 34.658 -1.162 19231 8354 1 15 . 1 1 49 49 VAL H H 49 9.235 9.235 8.976 0.259 19231 8355 1 15 . 1 1 50 50 HIS N N 50 128.035 128.035 126.090 1.945 19231 8356 1 15 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.255 -0.685 19231 8357 1 15 . 1 1 50 50 HIS C C 50 177.130 177.130 175.839 1.291 19231 8358 1 15 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.209 3.244 19231 8359 1 15 . 1 1 50 50 HIS CB C 50 31.542 31.542 31.140 0.402 19231 8360 1 15 . 1 1 50 50 HIS H H 50 8.791 8.791 8.859 -0.068 19231 8361 1 15 . 1 1 51 51 ARG N N 51 125.631 125.631 128.565 -2.934 19231 8362 1 15 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.898 -0.018 19231 8363 1 15 . 1 1 51 51 ARG C C 51 176.786 176.786 177.343 -0.557 19231 8364 1 15 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.472 0.607 19231 8365 1 15 . 1 1 51 51 ARG CB C 51 30.150 30.150 30.208 -0.058 19231 8366 1 15 . 1 1 51 51 ARG H H 51 8.544 8.544 8.907 -0.363 19231 8367 1 15 . 1 1 52 52 GLU N N 52 120.964 120.964 119.209 1.755 19231 8368 1 15 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.886 0.194 19231 8369 1 15 . 1 1 52 52 GLU C C 52 179.334 179.334 178.730 0.604 19231 8370 1 15 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.857 0.912 19231 8371 1 15 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.846 0.382 19231 8372 1 15 . 1 1 52 52 GLU H H 52 10.831 10.831 7.492 3.339 19231 8373 1 15 . 1 1 53 53 ILE N N 53 119.337 119.337 118.943 0.394 19231 8374 1 15 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.821 0.050 19231 8375 1 15 . 1 1 53 53 ILE C C 53 178.080 178.080 178.092 -0.012 19231 8376 1 15 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.477 -1.367 19231 8377 1 15 . 1 1 53 53 ILE CB C 53 37.496 37.496 38.184 -0.688 19231 8378 1 15 . 1 1 53 53 ILE H H 53 7.239 7.239 8.145 -0.906 19231 8379 1 15 . 1 1 54 54 LEU N N 54 118.502 118.502 119.667 -1.165 19231 8380 1 15 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.224 -0.064 19231 8381 1 15 . 1 1 54 54 LEU C C 54 178.676 178.676 178.881 -0.205 19231 8382 1 15 . 1 1 54 54 LEU CA C 54 57.074 57.074 56.849 0.225 19231 8383 1 15 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.482 -0.159 19231 8384 1 15 . 1 1 54 54 LEU H H 54 7.198 7.198 7.350 -0.152 19231 8385 1 15 . 1 1 55 55 TYR N N 55 117.114 117.114 119.865 -2.751 19231 8386 1 15 . 1 1 55 55 TYR HA H 55 4.135 4.135 3.944 0.191 19231 8387 1 15 . 1 1 55 55 TYR C C 55 177.987 177.987 177.158 0.829 19231 8388 1 15 . 1 1 55 55 TYR CA C 55 61.137 61.137 62.702 -1.565 19231 8389 1 15 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.377 -0.270 19231 8390 1 15 . 1 1 55 55 TYR H H 55 8.872 8.872 8.351 0.521 19231 8391 1 15 . 1 1 56 56 ASN N N 56 116.720 116.720 115.719 1.001 19231 8392 1 15 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.463 0.022 19231 8393 1 15 . 1 1 56 56 ASN C C 56 177.439 177.439 177.296 0.143 19231 8394 1 15 . 1 1 56 56 ASN CA C 56 56.013 56.013 56.349 -0.336 19231 8395 1 15 . 1 1 56 56 ASN CB C 56 38.290 38.290 37.820 0.470 19231 8396 1 15 . 1 1 56 56 ASN H H 56 7.796 7.796 8.113 -0.317 19231 8397 1 15 . 1 1 57 57 ASP N N 57 118.532 118.532 121.407 -2.875 19231 8398 1 15 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.393 0.147 19231 8399 1 15 . 1 1 57 57 ASP C C 57 177.886 177.886 177.755 0.131 19231 8400 1 15 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.684 0.402 19231 8401 1 15 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.621 0.259 19231 8402 1 15 . 1 1 57 57 ASP H H 57 7.842 7.842 7.714 0.128 19231 8403 1 15 . 1 1 58 58 ILE N N 58 109.975 109.975 118.769 -8.794 19231 8404 1 15 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.750 0.550 19231 8405 1 15 . 1 1 58 58 ILE C C 58 175.916 175.916 177.094 -1.178 19231 8406 1 15 . 1 1 58 58 ILE CA C 58 61.340 61.340 60.973 0.367 19231 8407 1 15 . 1 1 58 58 ILE CB C 58 38.830 38.830 36.712 2.118 19231 8408 1 15 . 1 1 58 58 ILE H H 58 7.277 7.277 7.160 0.117 19231 8409 1 15 . 1 1 59 59 TYR N N 59 122.761 122.761 119.994 2.767 19231 8410 1 15 . 1 1 59 59 TYR HA H 59 4.296 4.296 3.939 0.357 19231 8411 1 15 . 1 1 59 59 TYR C C 59 176.037 176.037 176.870 -0.833 19231 8412 1 15 . 1 1 59 59 TYR CA C 59 59.170 59.170 60.587 -1.417 19231 8413 1 15 . 1 1 59 59 TYR CB C 59 38.277 38.277 38.692 -0.415 19231 8414 1 15 . 1 1 59 59 TYR H H 59 7.788 7.788 8.251 -0.463 19231 8415 1 15 . 1 1 60 60 SER N N 60 117.350 117.350 112.537 4.813 19231 8416 1 15 . 1 1 60 60 SER HA H 60 4.292 4.292 3.604 0.688 19231 8417 1 15 . 1 1 60 60 SER C C 60 174.206 174.206 173.921 0.285 19231 8418 1 15 . 1 1 60 60 SER CA C 60 57.976 57.976 59.602 -1.627 19231 8419 1 15 . 1 1 60 60 SER CB C 60 63.884 63.884 61.994 1.890 19231 8420 1 15 . 1 1 60 60 SER H H 60 7.721 7.721 7.514 0.207 19231 8421 1 15 . 1 1 61 61 TRP N N 61 122.170 122.170 115.698 6.472 19231 8422 1 15 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.401 0.076 19231 8423 1 15 . 1 1 61 61 TRP C C 61 175.798 175.798 175.919 -0.121 19231 8424 1 15 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.203 0.660 19231 8425 1 15 . 1 1 61 61 TRP CB C 61 28.826 28.826 26.796 2.030 19231 8426 1 15 . 1 1 61 61 TRP H H 61 7.990 7.990 7.887 0.103 19231 8427 1 15 . 1 1 62 62 ASP N N 62 119.118 119.118 117.817 1.301 19231 8428 1 15 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.720 -0.280 19231 8429 1 15 . 1 1 62 62 ASP C C 62 175.559 175.559 177.253 -1.694 19231 8430 1 15 . 1 1 62 62 ASP CA C 62 53.811 53.811 55.181 -1.370 19231 8431 1 15 . 1 1 62 62 ASP CB C 62 40.716 40.716 41.898 -1.181 19231 8432 1 15 . 1 1 62 62 ASP H H 62 7.900 7.900 8.270 -0.370 19231 8433 1 15 . 1 1 63 63 ASN N N 63 117.586 117.586 119.607 -2.021 19231 8434 1 15 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.530 0.016 19231 8435 1 15 . 1 1 63 63 ASN C C 63 174.737 174.737 174.728 0.009 19231 8436 1 15 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.700 -1.542 19231 8437 1 15 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.715 0.028 19231 8438 1 15 . 1 1 63 63 ASN H H 63 8.080 8.080 7.830 0.250 19231 8439 1 15 . 1 1 64 64 GLU N N 64 121.831 121.831 116.895 4.936 19231 8440 1 15 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.262 0.318 19231 8441 1 15 . 1 1 64 64 GLU C C 64 174.706 174.706 174.001 0.705 19231 8442 1 15 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.813 -1.053 19231 8443 1 15 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.465 0.364 19231 8444 1 15 . 1 1 64 64 GLU H H 64 8.224 8.224 8.644 -0.420 19231 8445 1 15 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.321 0.073 19231 8446 1 15 . 1 1 65 65 PRO C C 65 177.312 177.312 176.196 1.116 19231 8447 1 15 . 1 1 65 65 PRO CA C 65 63.824 63.824 63.549 0.275 19231 8448 1 15 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.955 -0.084 19231 8449 1 15 . 1 1 66 66 ALA N N 66 122.755 122.755 127.061 -4.306 19231 8450 1 15 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.290 0.060 19231 8451 1 15 . 1 1 66 66 ALA C C 66 178.352 178.352 178.013 0.339 19231 8452 1 15 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.445 -0.597 19231 8453 1 15 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.031 0.055 19231 8454 1 15 . 1 1 66 66 ALA H H 66 8.465 8.465 8.588 -0.123 19231 8455 1 15 . 1 1 67 67 THR N N 67 111.079 111.079 109.592 1.487 19231 8456 1 15 . 1 1 67 67 THR HA H 67 4.287 4.287 4.382 -0.095 19231 8457 1 15 . 1 1 67 67 THR C C 67 175.040 175.040 172.941 2.099 19231 8458 1 15 . 1 1 67 67 THR CA C 67 62.505 62.505 61.675 0.830 19231 8459 1 15 . 1 1 67 67 THR CB C 67 69.187 69.187 68.643 0.544 19231 8460 1 15 . 1 1 67 67 THR H H 67 8.002 8.002 7.569 0.433 19231 8461 1 15 . 1 1 68 68 ASN N N 68 120.768 120.768 120.223 0.545 19231 8462 1 15 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.595 0.384 19231 8463 1 15 . 1 1 68 68 ASN C C 68 175.250 175.250 175.083 0.167 19231 8464 1 15 . 1 1 68 68 ASN CA C 68 53.036 53.036 54.800 -1.764 19231 8465 1 15 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.449 0.229 19231 8466 1 15 . 1 1 68 68 ASN H H 68 8.280 8.280 8.620 -0.340 19231 8467 1 15 . 1 1 69 69 THR N N 69 112.288 112.288 117.409 -5.121 19231 8468 1 15 . 1 1 69 69 THR HA H 69 4.480 4.480 4.261 0.219 19231 8469 1 15 . 1 1 69 69 THR C C 69 175.830 175.830 175.441 0.389 19231 8470 1 15 . 1 1 69 69 THR CA C 69 62.328 62.328 62.771 -0.443 19231 8471 1 15 . 1 1 69 69 THR CB C 69 69.927 69.927 69.734 0.193 19231 8472 1 15 . 1 1 69 69 THR H H 69 7.691 7.691 8.358 -0.667 19231 8473 1 15 . 1 1 70 70 LEU N N 70 123.384 123.384 122.161 1.223 19231 8474 1 15 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.042 0.038 19231 8475 1 15 . 1 1 70 70 LEU C C 70 177.457 177.457 178.198 -0.741 19231 8476 1 15 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.843 -0.235 19231 8477 1 15 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.335 0.159 19231 8478 1 15 . 1 1 70 70 LEU H H 70 8.843 8.843 7.947 0.896 19231 8479 1 15 . 1 1 71 71 GLU N N 71 116.878 116.878 119.127 -2.249 19231 8480 1 15 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.102 -0.397 19231 8481 1 15 . 1 1 71 71 GLU C C 71 179.305 179.305 179.027 0.278 19231 8482 1 15 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.462 1.708 19231 8483 1 15 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.155 -0.327 19231 8484 1 15 . 1 1 71 71 GLU H H 71 8.652 8.652 8.665 -0.013 19231 8485 1 15 . 1 1 72 72 VAL N N 72 121.419 121.419 118.280 3.139 19231 8486 1 15 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.726 -0.041 19231 8487 1 15 . 1 1 72 72 VAL C C 72 177.680 177.680 177.665 0.015 19231 8488 1 15 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.379 -0.268 19231 8489 1 15 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.806 -0.339 19231 8490 1 15 . 1 1 72 72 VAL H H 72 7.559 7.559 7.825 -0.266 19231 8491 1 15 . 1 1 73 73 HIS N N 73 118.272 118.272 120.284 -2.012 19231 8492 1 15 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.286 0.174 19231 8493 1 15 . 1 1 73 73 HIS C C 73 178.616 178.616 177.592 1.024 19231 8494 1 15 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.177 1.029 19231 8495 1 15 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.468 1.800 19231 8496 1 15 . 1 1 73 73 HIS H H 73 7.420 7.420 8.191 -0.771 19231 8497 1 15 . 1 1 74 74 ILE N N 74 118.940 118.940 119.406 -0.466 19231 8498 1 15 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.540 0.030 19231 8499 1 15 . 1 1 74 74 ILE C C 74 177.819 177.819 177.508 0.311 19231 8500 1 15 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.460 -3.517 19231 8501 1 15 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.515 -3.240 19231 8502 1 15 . 1 1 74 74 ILE H H 74 8.515 8.515 7.878 0.637 19231 8503 1 15 . 1 1 75 75 HIS N N 75 120.484 120.484 119.774 0.710 19231 8504 1 15 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.109 0.161 19231 8505 1 15 . 1 1 75 75 HIS C C 75 177.445 177.445 177.219 0.226 19231 8506 1 15 . 1 1 75 75 HIS CA C 75 60.116 60.116 59.833 0.283 19231 8507 1 15 . 1 1 75 75 HIS CB C 75 28.812 28.812 30.177 -1.365 19231 8508 1 15 . 1 1 75 75 HIS H H 75 8.189 8.189 7.919 0.270 19231 8509 1 15 . 1 1 76 76 ASN N N 76 119.098 119.098 118.554 0.544 19231 8510 1 15 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.408 -0.019 19231 8511 1 15 . 1 1 76 76 ASN C C 76 178.615 178.615 177.604 1.011 19231 8512 1 15 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.668 -0.163 19231 8513 1 15 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.960 -1.651 19231 8514 1 15 . 1 1 76 76 ASN H H 76 8.456 8.456 7.982 0.474 19231 8515 1 15 . 1 1 77 77 LEU N N 77 120.517 120.517 119.491 1.026 19231 8516 1 15 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.278 -0.327 19231 8517 1 15 . 1 1 77 77 LEU C C 77 178.945 178.945 178.327 0.618 19231 8518 1 15 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.520 0.476 19231 8519 1 15 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.386 1.720 19231 8520 1 15 . 1 1 77 77 LEU H H 77 8.579 8.579 8.313 0.266 19231 8521 1 15 . 1 1 78 78 ARG N N 78 119.521 119.521 120.040 -0.519 19231 8522 1 15 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.796 -0.136 19231 8523 1 15 . 1 1 78 78 ARG C C 78 178.766 178.766 178.360 0.406 19231 8524 1 15 . 1 1 78 78 ARG CA C 78 59.435 59.435 60.231 -0.796 19231 8525 1 15 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.273 0.561 19231 8526 1 15 . 1 1 78 78 ARG H H 78 8.687 8.687 8.733 -0.046 19231 8527 1 15 . 1 1 79 79 GLU N N 79 116.882 116.882 116.183 0.699 19231 8528 1 15 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.075 -0.146 19231 8529 1 15 . 1 1 79 79 GLU C C 79 178.226 178.226 178.149 0.077 19231 8530 1 15 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.454 0.212 19231 8531 1 15 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.183 0.368 19231 8532 1 15 . 1 1 79 79 GLU H H 79 7.717 7.717 7.706 0.011 19231 8533 1 15 . 1 1 80 80 LYS N N 80 116.574 116.574 117.640 -1.066 19231 8534 1 15 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.190 0.062 19231 8535 1 15 . 1 1 80 80 LYS C C 80 178.413 178.413 178.228 0.185 19231 8536 1 15 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.315 0.746 19231 8537 1 15 . 1 1 80 80 LYS CB C 80 34.438 34.438 33.473 0.965 19231 8538 1 15 . 1 1 80 80 LYS H H 80 7.419 7.419 7.617 -0.198 19231 8539 1 15 . 1 1 81 81 ILE N N 81 108.393 108.393 112.071 -3.678 19231 8540 1 15 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.151 0.533 19231 8541 1 15 . 1 1 81 81 ILE C C 81 174.986 174.986 176.274 -1.288 19231 8542 1 15 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.518 -0.372 19231 8543 1 15 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.397 0.815 19231 8544 1 15 . 1 1 81 81 ILE H H 81 8.162 8.162 7.401 0.761 19231 8545 1 15 . 1 1 82 82 GLY N N 82 113.636 113.636 109.979 3.657 19231 8546 1 15 . 1 1 82 82 GLY C C 82 175.419 175.419 175.049 0.370 19231 8547 1 15 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.917 -0.061 19231 8548 1 15 . 1 1 82 82 GLY H H 82 7.852 7.852 7.850 0.002 19231 8549 1 15 . 1 1 83 83 LYS N N 83 125.732 125.732 122.517 3.215 19231 8550 1 15 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.897 -0.167 19231 8551 1 15 . 1 1 83 83 LYS C C 83 178.177 178.177 178.234 -0.057 19231 8552 1 15 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.998 0.924 19231 8553 1 15 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.767 0.599 19231 8554 1 15 . 1 1 83 83 LYS H H 83 8.511 8.511 8.140 0.371 19231 8555 1 15 . 1 1 84 84 SER N N 84 110.852 110.852 116.409 -5.557 19231 8556 1 15 . 1 1 84 84 SER HA H 84 4.346 4.346 4.148 0.198 19231 8557 1 15 . 1 1 84 84 SER C C 84 175.008 175.008 175.793 -0.785 19231 8558 1 15 . 1 1 84 84 SER CA C 84 58.935 58.935 61.094 -2.159 19231 8559 1 15 . 1 1 84 84 SER CB C 84 63.140 63.140 62.454 0.686 19231 8560 1 15 . 1 1 84 84 SER H H 84 8.438 8.438 8.354 0.084 19231 8561 1 15 . 1 1 85 85 ARG N N 85 118.561 118.561 119.053 -0.492 19231 8562 1 15 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.325 -0.095 19231 8563 1 15 . 1 1 85 85 ARG C C 85 176.208 176.208 175.674 0.534 19231 8564 1 15 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.120 2.036 19231 8565 1 15 . 1 1 85 85 ARG CB C 85 30.388 30.388 29.644 0.744 19231 8566 1 15 . 1 1 85 85 ARG H H 85 7.656 7.656 7.775 -0.119 19231 8567 1 15 . 1 1 86 86 ILE N N 86 113.200 113.200 119.496 -6.296 19231 8568 1 15 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.281 0.614 19231 8569 1 15 . 1 1 86 86 ILE C C 86 175.573 175.573 174.097 1.476 19231 8570 1 15 . 1 1 86 86 ILE CA C 86 59.461 59.461 60.454 -0.993 19231 8571 1 15 . 1 1 86 86 ILE CB C 86 39.188 39.188 41.484 -2.296 19231 8572 1 15 . 1 1 86 86 ILE H H 86 6.880 6.880 8.137 -1.257 19231 8573 1 15 . 1 1 87 87 ARG N N 87 128.727 128.727 128.056 0.671 19231 8574 1 15 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.692 0.105 19231 8575 1 15 . 1 1 87 87 ARG C C 87 176.501 176.501 175.548 0.953 19231 8576 1 15 . 1 1 87 87 ARG CA C 87 53.664 53.664 53.896 -0.232 19231 8577 1 15 . 1 1 87 87 ARG CB C 87 32.011 32.011 30.121 1.890 19231 8578 1 15 . 1 1 87 87 ARG H H 87 9.786 9.786 9.216 0.570 19231 8579 1 15 . 1 1 88 88 THR N N 88 122.821 122.821 117.260 5.561 19231 8580 1 15 . 1 1 88 88 THR HA H 88 4.138 4.138 3.975 0.163 19231 8581 1 15 . 1 1 88 88 THR C C 88 173.802 173.802 174.150 -0.348 19231 8582 1 15 . 1 1 88 88 THR CA C 88 63.514 63.514 62.178 1.335 19231 8583 1 15 . 1 1 88 88 THR CB C 88 68.908 68.908 69.304 -0.396 19231 8584 1 15 . 1 1 88 88 THR H H 88 9.421 9.421 8.221 1.200 19231 8585 1 15 . 1 1 89 89 VAL N N 89 130.400 130.400 127.021 3.379 19231 8586 1 15 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.167 0.013 19231 8587 1 15 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.222 0.156 19231 8588 1 15 . 1 1 89 89 VAL CB C 89 30.886 30.886 32.187 -1.301 19231 8589 1 15 . 1 1 89 89 VAL H H 89 8.400 8.400 7.872 0.528 19231 8590 1 15 . 1 1 91 91 GLY C C 91 173.530 173.530 174.941 -1.411 19231 8591 1 15 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.911 -0.386 19231 8592 1 15 . 1 1 92 92 PHE N N 92 119.601 119.601 122.718 -3.117 19231 8593 1 15 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.284 0.157 19231 8594 1 15 . 1 1 92 92 PHE C C 92 174.744 174.744 175.403 -0.659 19231 8595 1 15 . 1 1 92 92 PHE CA C 92 60.054 60.054 60.910 -0.856 19231 8596 1 15 . 1 1 92 92 PHE CB C 92 43.433 43.433 39.685 3.748 19231 8597 1 15 . 1 1 92 92 PHE H H 92 8.332 8.332 8.064 0.268 19231 8598 1 15 . 1 1 93 93 GLY N N 93 105.445 105.445 103.748 1.697 19231 8599 1 15 . 1 1 93 93 GLY C C 93 171.776 171.776 172.745 -0.969 19231 8600 1 15 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.418 2.297 19231 8601 1 15 . 1 1 93 93 GLY H H 93 8.377 8.377 7.689 0.688 19231 8602 1 15 . 1 1 94 94 TYR N N 94 122.471 122.471 116.283 6.188 19231 8603 1 15 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.701 0.729 19231 8604 1 15 . 1 1 94 94 TYR C C 94 172.889 172.889 173.876 -0.987 19231 8605 1 15 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.904 -0.535 19231 8606 1 15 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.931 0.121 19231 8607 1 15 . 1 1 94 94 TYR H H 94 8.475 8.475 8.348 0.127 19231 8608 1 15 . 1 1 95 95 MET N N 95 118.643 118.643 118.942 -0.299 19231 8609 1 15 . 1 1 95 95 MET HA H 95 4.890 4.890 4.820 0.070 19231 8610 1 15 . 1 1 95 95 MET C C 95 173.438 173.438 173.581 -0.143 19231 8611 1 15 . 1 1 95 95 MET CA C 95 54.125 54.125 55.315 -1.190 19231 8612 1 15 . 1 1 95 95 MET CB C 95 39.364 39.364 37.119 2.245 19231 8613 1 15 . 1 1 95 95 MET H H 95 8.936 8.936 8.439 0.497 19231 8614 1 15 . 1 1 96 96 LEU N N 96 130.194 130.194 125.585 4.609 19231 8615 1 15 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.663 0.417 19231 8616 1 15 . 1 1 96 96 LEU C C 96 174.912 174.912 176.151 -1.239 19231 8617 1 15 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.724 -0.242 19231 8618 1 15 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.998 0.758 19231 8619 1 15 . 1 1 96 96 LEU H H 96 9.848 9.848 8.720 1.128 19231 8620 1 15 . 1 1 97 97 ALA N N 97 131.168 131.168 127.095 4.073 19231 8621 1 15 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.299 0.037 19231 8622 1 15 . 1 1 97 97 ALA C C 97 176.560 176.560 177.037 -0.477 19231 8623 1 15 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.141 -0.246 19231 8624 1 15 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.455 0.556 19231 8625 1 15 . 1 1 97 97 ALA H H 97 8.681 8.681 8.315 0.366 19231 8626 1 15 . 1 1 98 98 ASN N N 98 118.268 118.268 124.250 -5.982 19231 8627 1 15 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.623 0.057 19231 8628 1 15 . 1 1 98 98 ASN C C 98 174.939 174.939 174.889 0.050 19231 8629 1 15 . 1 1 98 98 ASN CA C 98 52.429 52.429 52.737 -0.308 19231 8630 1 15 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.158 0.754 19231 8631 1 15 . 1 1 98 98 ASN H H 98 8.654 8.654 8.582 0.072 19231 8632 1 15 . 1 1 99 99 ASN N N 99 117.488 117.488 119.572 -2.084 19231 8633 1 15 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.416 0.384 19231 8634 1 15 . 1 1 99 99 ASN C C 99 174.744 174.744 175.217 -0.473 19231 8635 1 15 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.818 -0.770 19231 8636 1 15 . 1 1 99 99 ASN CB C 99 39.039 39.039 37.440 1.599 19231 8637 1 15 . 1 1 99 99 ASN H H 99 8.131 8.131 8.625 -0.494 19231 8638 1 15 . 1 1 100 100 ILE N N 100 118.881 118.881 121.093 -2.212 19231 8639 1 15 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.993 0.247 19231 8640 1 15 . 1 1 100 100 ILE C C 100 175.769 175.769 176.801 -1.032 19231 8641 1 15 . 1 1 100 100 ILE CA C 100 61.004 61.004 61.652 -0.648 19231 8642 1 15 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.845 0.834 19231 8643 1 15 . 1 1 100 100 ILE H H 100 8.139 8.139 8.321 -0.182 19231 8644 1 15 . 1 1 101 101 ASP N N 101 123.516 123.516 119.959 3.557 19231 8645 1 15 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.457 0.263 19231 8646 1 15 . 1 1 101 101 ASP C C 101 176.210 176.210 175.122 1.088 19231 8647 1 15 . 1 1 101 101 ASP CA C 101 54.513 54.513 55.349 -0.836 19231 8648 1 15 . 1 1 101 101 ASP CB C 101 41.221 41.221 39.997 1.224 19231 8649 1 15 . 1 1 101 101 ASP H H 101 8.426 8.426 8.389 0.037 19231 8650 1 15 . 1 1 102 102 THR N N 102 113.358 113.358 113.034 0.324 19231 8651 1 15 . 1 1 102 102 THR HA H 102 4.360 4.360 4.473 -0.113 19231 8652 1 15 . 1 1 102 102 THR C C 102 173.733 173.733 172.906 0.827 19231 8653 1 15 . 1 1 102 102 THR CA C 102 61.477 61.477 61.687 -0.210 19231 8654 1 15 . 1 1 102 102 THR CB C 102 69.788 69.788 70.730 -0.942 19231 8655 1 15 . 1 1 102 102 THR H H 102 8.045 8.045 7.714 0.331 19231 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 96 3.227 -0.637 3.180 19231 2 1 1 "Average Difference" HA 107 0.305 -0.057 0.301 19231 3 1 1 "Average Difference" C 99 0.862 -0.111 0.859 19231 4 1 1 "Average Difference" CA 100 1.048 0.025 1.053 19231 5 1 1 "Average Difference" CB 93 1.174 -0.153 1.170 19231 6 1 1 "Average Difference" HN 96 0.694 -0.238 0.656 19231 7 1 2 "Average Difference" N 96 2.999 -0.762 2.916 19231 8 1 2 "Average Difference" HA 107 0.316 -0.084 0.306 19231 9 1 2 "Average Difference" C 99 0.847 -0.122 0.843 19231 10 1 2 "Average Difference" CA 100 1.200 -0.002 1.206 19231 11 1 2 "Average Difference" CB 93 1.305 -0.209 1.295 19231 12 1 2 "Average Difference" HN 96 0.658 -0.268 0.604 19231 13 1 3 "Average Difference" N 96 3.177 -0.556 3.144 19231 14 1 3 "Average Difference" HA 107 0.322 -0.079 0.313 19231 15 1 3 "Average Difference" C 99 0.842 -0.128 0.836 19231 16 1 3 "Average Difference" CA 100 1.022 -0.022 1.027 19231 17 1 3 "Average Difference" CB 93 1.272 -0.139 1.271 19231 18 1 3 "Average Difference" HN 96 0.621 -0.232 0.579 19231 19 1 4 "Average Difference" N 96 2.964 -0.529 2.932 19231 20 1 4 "Average Difference" HA 107 0.304 -0.063 0.299 19231 21 1 4 "Average Difference" C 99 0.825 -0.107 0.822 19231 22 1 4 "Average Difference" CA 100 1.064 0.009 1.069 19231 23 1 4 "Average Difference" CB 93 1.202 -0.194 1.193 19231 24 1 4 "Average Difference" HN 96 0.614 -0.214 0.578 19231 25 1 5 "Average Difference" N 96 2.897 -0.533 2.862 19231 26 1 5 "Average Difference" HA 107 0.317 -0.081 0.308 19231 27 1 5 "Average Difference" C 99 0.800 -0.103 0.797 19231 28 1 5 "Average Difference" CA 100 1.120 -0.068 1.124 19231 29 1 5 "Average Difference" CB 93 1.261 -0.117 1.262 19231 30 1 5 "Average Difference" HN 96 0.642 -0.254 0.593 19231 31 1 6 "Average Difference" N 96 3.206 -0.356 3.203 19231 32 1 6 "Average Difference" HA 107 0.305 -0.070 0.299 19231 33 1 6 "Average Difference" C 99 0.833 -0.140 0.826 19231 34 1 6 "Average Difference" CA 100 1.017 0.039 1.021 19231 35 1 6 "Average Difference" CB 93 1.220 -0.279 1.194 19231 36 1 6 "Average Difference" HN 96 0.592 -0.217 0.553 19231 37 1 7 "Average Difference" N 96 3.072 -0.644 3.020 19231 38 1 7 "Average Difference" HA 107 0.332 -0.079 0.324 19231 39 1 7 "Average Difference" C 99 0.842 -0.150 0.833 19231 40 1 7 "Average Difference" CA 100 1.055 0.009 1.061 19231 41 1 7 "Average Difference" CB 93 1.340 -0.225 1.328 19231 42 1 7 "Average Difference" HN 96 0.643 -0.288 0.578 19231 43 1 8 "Average Difference" N 96 3.246 -0.465 3.230 19231 44 1 8 "Average Difference" HA 107 0.313 -0.059 0.308 19231 45 1 8 "Average Difference" C 99 0.838 -0.055 0.841 19231 46 1 8 "Average Difference" CA 100 1.078 0.115 1.077 19231 47 1 8 "Average Difference" CB 93 1.098 -0.234 1.079 19231 48 1 8 "Average Difference" HN 96 0.564 -0.197 0.532 19231 49 1 9 "Average Difference" N 96 3.024 -0.287 3.027 19231 50 1 9 "Average Difference" HA 107 0.292 -0.049 0.289 19231 51 1 9 "Average Difference" C 99 0.867 -0.058 0.869 19231 52 1 9 "Average Difference" CA 100 1.117 0.015 1.122 19231 53 1 9 "Average Difference" CB 93 1.227 -0.217 1.215 19231 54 1 9 "Average Difference" HN 96 0.613 -0.182 0.589 19231 55 1 10 "Average Difference" N 96 2.997 -0.539 2.964 19231 56 1 10 "Average Difference" HA 107 0.319 -0.090 0.307 19231 57 1 10 "Average Difference" C 99 0.840 -0.074 0.841 19231 58 1 10 "Average Difference" CA 100 1.029 -0.010 1.034 19231 59 1 10 "Average Difference" CB 93 1.271 -0.317 1.237 19231 60 1 10 "Average Difference" HN 96 0.639 -0.203 0.609 19231 61 1 11 "Average Difference" N 96 3.129 -0.494 3.106 19231 62 1 11 "Average Difference" HA 107 0.318 -0.071 0.311 19231 63 1 11 "Average Difference" C 99 0.814 -0.051 0.817 19231 64 1 11 "Average Difference" CA 100 1.088 0.067 1.091 19231 65 1 11 "Average Difference" CB 93 1.333 -0.186 1.327 19231 66 1 11 "Average Difference" HN 96 0.615 -0.200 0.584 19231 67 1 12 "Average Difference" N 96 3.260 -0.750 3.189 19231 68 1 12 "Average Difference" HA 107 0.302 -0.058 0.297 19231 69 1 12 "Average Difference" C 99 0.835 -0.106 0.832 19231 70 1 12 "Average Difference" CA 100 1.136 0.021 1.142 19231 71 1 12 "Average Difference" CB 93 1.176 -0.072 1.180 19231 72 1 12 "Average Difference" HN 96 0.610 -0.211 0.576 19231 73 1 13 "Average Difference" N 96 3.195 -0.357 3.192 19231 74 1 13 "Average Difference" HA 107 0.304 -0.070 0.297 19231 75 1 13 "Average Difference" C 99 0.818 -0.156 0.807 19231 76 1 13 "Average Difference" CA 100 1.089 0.060 1.093 19231 77 1 13 "Average Difference" CB 93 1.268 -0.304 1.238 19231 78 1 13 "Average Difference" HN 96 0.656 -0.229 0.618 19231 79 1 14 "Average Difference" N 96 3.120 -0.400 3.110 19231 80 1 14 "Average Difference" HA 107 0.314 -0.096 0.301 19231 81 1 14 "Average Difference" C 99 0.834 -0.048 0.837 19231 82 1 14 "Average Difference" CA 100 1.080 0.044 1.084 19231 83 1 14 "Average Difference" CB 93 1.249 -0.204 1.239 19231 84 1 14 "Average Difference" HN 96 0.656 -0.213 0.623 19231 85 1 15 "Average Difference" N 96 2.930 -0.279 2.932 19231 86 1 15 "Average Difference" HA 107 0.299 -0.098 0.284 19231 87 1 15 "Average Difference" C 99 0.798 -0.118 0.793 19231 88 1 15 "Average Difference" CA 100 1.028 0.048 1.032 19231 89 1 15 "Average Difference" CB 93 1.219 -0.240 1.201 19231 90 1 15 "Average Difference" HN 96 0.592 -0.192 0.562 19231 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 19231 _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 GLN N N 2 121.990 121.990 120.751 1.239 19231 2 1 . 1 1 2 2 GLN HA H 2 4.337 4.337 4.280 0.057 19231 3 1 . 1 1 2 2 GLN C C 2 176.320 176.320 175.886 0.434 19231 4 1 . 1 1 2 2 GLN CA C 2 56.295 56.295 56.221 0.074 19231 5 1 . 1 1 2 2 GLN CB C 2 29.270 29.270 27.606 1.664 19231 6 1 . 1 1 2 2 GLN H H 2 8.705 8.705 8.590 0.115 19231 7 1 . 1 1 3 3 GLY N N 3 110.481 110.481 108.116 2.365 19231 8 1 . 1 1 3 3 GLY C C 3 174.116 174.116 173.446 0.670 19231 9 1 . 1 1 3 3 GLY CA C 3 45.115 45.115 45.237 -0.122 19231 10 1 . 1 1 3 3 GLY H H 3 8.540 8.540 8.376 0.164 19231 11 1 . 1 1 4 4 ASP N N 4 120.750 120.750 118.936 1.814 19231 12 1 . 1 1 4 4 ASP HA H 4 4.641 4.641 4.599 0.042 19231 13 1 . 1 1 4 4 ASP C C 4 175.974 175.974 174.298 1.676 19231 14 1 . 1 1 4 4 ASP CA C 4 54.456 54.456 53.986 0.470 19231 15 1 . 1 1 4 4 ASP CB C 4 41.190 41.190 41.622 -0.432 19231 16 1 . 1 1 4 4 ASP H H 4 8.251 8.251 7.953 0.298 19231 17 1 . 1 1 5 5 ASN N N 5 118.421 118.421 118.787 -0.366 19231 18 1 . 1 1 5 5 ASN HA H 5 4.761 4.761 4.839 -0.078 19231 19 1 . 1 1 5 5 ASN C C 5 174.017 174.017 172.995 1.022 19231 20 1 . 1 1 5 5 ASN CA C 5 53.354 53.354 53.234 0.120 19231 21 1 . 1 1 5 5 ASN CB C 5 38.936 38.936 40.545 -1.609 19231 22 1 . 1 1 5 5 ASN H H 5 8.513 8.513 8.407 0.106 19231 23 1 . 1 1 6 6 GLU N N 6 120.905 120.905 120.837 0.068 19231 24 1 . 1 1 6 6 GLU HA H 6 5.472 5.472 5.055 0.417 19231 25 1 . 1 1 6 6 GLU C C 6 175.808 175.808 174.373 1.435 19231 26 1 . 1 1 6 6 GLU CA C 6 55.095 55.095 55.547 -0.452 19231 27 1 . 1 1 6 6 GLU CB C 6 33.013 33.013 33.044 -0.031 19231 28 1 . 1 1 6 6 GLU H H 6 8.116 8.116 8.279 -0.163 19231 29 1 . 1 1 7 7 ILE N N 7 122.567 122.567 115.841 6.726 19231 30 1 . 1 1 7 7 ILE HA H 7 4.534 4.534 4.738 -0.204 19231 31 1 . 1 1 7 7 ILE C C 7 174.653 174.653 174.043 0.610 19231 32 1 . 1 1 7 7 ILE CA C 7 60.113 60.113 59.771 0.342 19231 33 1 . 1 1 7 7 ILE CB C 7 41.342 41.342 41.786 -0.444 19231 34 1 . 1 1 7 7 ILE H H 7 8.966 8.966 8.654 0.312 19231 35 1 . 1 1 8 8 SER N N 8 120.446 120.446 117.412 3.034 19231 36 1 . 1 1 8 8 SER HA H 8 5.536 5.536 5.497 0.039 19231 37 1 . 1 1 8 8 SER C C 8 174.082 174.082 173.579 0.503 19231 38 1 . 1 1 8 8 SER CA C 8 57.050 57.050 57.253 -0.203 19231 39 1 . 1 1 8 8 SER CB C 8 65.470 65.470 65.927 -0.457 19231 40 1 . 1 1 8 8 SER H H 8 8.773 8.773 8.346 0.427 19231 41 1 . 1 1 9 9 VAL N N 9 124.896 124.896 123.606 1.290 19231 42 1 . 1 1 9 9 VAL HA H 9 4.190 4.190 4.340 -0.150 19231 43 1 . 1 1 9 9 VAL C C 9 176.141 176.141 175.843 0.298 19231 44 1 . 1 1 9 9 VAL CA C 9 61.298 61.298 61.626 -0.328 19231 45 1 . 1 1 9 9 VAL CB C 9 33.763 33.763 32.465 1.298 19231 46 1 . 1 1 9 9 VAL H H 9 8.874 8.874 8.864 0.010 19231 47 1 . 1 1 10 10 GLY N N 10 117.992 117.992 117.595 0.397 19231 48 1 . 1 1 10 10 GLY C C 10 174.785 174.785 174.568 0.217 19231 49 1 . 1 1 10 10 GLY CA C 10 47.330 47.330 46.640 0.690 19231 50 1 . 1 1 10 10 GLY H H 10 9.114 9.114 8.620 0.494 19231 51 1 . 1 1 11 11 ASN N N 11 124.908 124.908 122.804 2.104 19231 52 1 . 1 1 11 11 ASN HA H 11 4.688 4.688 4.857 -0.169 19231 53 1 . 1 1 11 11 ASN C C 11 174.765 174.765 174.463 0.302 19231 54 1 . 1 1 11 11 ASN CA C 11 52.878 52.878 52.714 0.164 19231 55 1 . 1 1 11 11 ASN CB C 11 37.277 37.277 39.257 -1.980 19231 56 1 . 1 1 11 11 ASN H H 11 8.609 8.609 8.493 0.116 19231 57 1 . 1 1 12 12 LEU N N 12 123.550 123.550 122.377 1.173 19231 58 1 . 1 1 12 12 LEU HA H 12 5.415 5.415 5.081 0.334 19231 59 1 . 1 1 12 12 LEU C C 12 175.653 175.653 175.895 -0.242 19231 60 1 . 1 1 12 12 LEU CA C 12 53.937 53.937 54.163 -0.226 19231 61 1 . 1 1 12 12 LEU CB C 12 44.438 44.438 42.721 1.717 19231 62 1 . 1 1 12 12 LEU H H 12 8.256 8.256 7.449 0.807 19231 63 1 . 1 1 13 13 ARG N N 13 124.719 124.719 123.816 0.903 19231 64 1 . 1 1 13 13 ARG HA H 13 5.227 5.227 4.882 0.345 19231 65 1 . 1 1 13 13 ARG C C 13 173.394 173.394 174.676 -1.282 19231 66 1 . 1 1 13 13 ARG CA C 13 55.017 55.017 55.100 -0.083 19231 67 1 . 1 1 13 13 ARG CB C 13 34.507 34.507 32.778 1.729 19231 68 1 . 1 1 13 13 ARG H H 13 9.169 9.169 8.315 0.854 19231 69 1 . 1 1 14 14 LEU N N 14 127.743 127.743 125.499 2.244 19231 70 1 . 1 1 14 14 LEU HA H 14 5.316 5.316 4.919 0.397 19231 71 1 . 1 1 14 14 LEU C C 14 174.807 174.807 174.848 -0.041 19231 72 1 . 1 1 14 14 LEU CA C 14 53.816 53.816 53.923 -0.107 19231 73 1 . 1 1 14 14 LEU CB C 14 45.806 45.806 45.398 0.408 19231 74 1 . 1 1 14 14 LEU H H 14 9.394 9.394 9.192 0.202 19231 75 1 . 1 1 15 15 ASN N N 15 125.577 125.577 124.653 0.924 19231 76 1 . 1 1 15 15 ASN HA H 15 5.407 5.407 5.241 0.166 19231 77 1 . 1 1 15 15 ASN C C 15 175.621 175.621 175.675 -0.054 19231 78 1 . 1 1 15 15 ASN CA C 15 52.044 52.044 52.627 -0.583 19231 79 1 . 1 1 15 15 ASN CB C 15 40.067 40.067 40.015 0.052 19231 80 1 . 1 1 15 15 ASN H H 15 9.520 9.520 8.761 0.759 19231 81 1 . 1 1 16 16 VAL N N 16 123.478 123.478 125.486 -2.008 19231 82 1 . 1 1 16 16 VAL HA H 16 4.080 4.080 3.993 0.087 19231 83 1 . 1 1 16 16 VAL C C 16 177.902 177.902 177.214 0.688 19231 84 1 . 1 1 16 16 VAL CA C 16 64.414 64.414 65.315 -0.901 19231 85 1 . 1 1 16 16 VAL CB C 16 32.204 32.204 31.891 0.313 19231 86 1 . 1 1 16 16 VAL H H 16 8.759 8.759 8.482 0.277 19231 87 1 . 1 1 17 17 THR N N 17 117.004 117.004 114.905 2.099 19231 88 1 . 1 1 17 17 THR HA H 17 4.340 4.340 4.064 0.276 19231 89 1 . 1 1 17 17 THR C C 17 176.177 176.177 175.928 0.249 19231 90 1 . 1 1 17 17 THR CA C 17 65.922 65.922 65.119 0.803 19231 91 1 . 1 1 17 17 THR CB C 17 68.899 68.899 69.102 -0.203 19231 92 1 . 1 1 17 17 THR H H 17 8.045 8.045 7.659 0.386 19231 93 1 . 1 1 18 18 ARG N N 18 117.565 117.565 118.432 -0.867 19231 94 1 . 1 1 18 18 ARG HA H 18 4.198 4.198 4.372 -0.174 19231 95 1 . 1 1 18 18 ARG C C 18 174.802 174.802 175.800 -0.998 19231 96 1 . 1 1 18 18 ARG CA C 18 55.605 55.605 55.941 -0.336 19231 97 1 . 1 1 18 18 ARG CB C 18 31.225 31.225 30.693 0.533 19231 98 1 . 1 1 18 18 ARG H H 18 8.035 8.035 8.317 -0.282 19231 99 1 . 1 1 19 19 ARG N N 19 117.471 117.471 118.435 -0.964 19231 100 1 . 1 1 19 19 ARG HA H 19 3.914 3.914 3.437 0.477 19231 101 1 . 1 1 19 19 ARG C C 19 174.359 174.359 174.166 0.193 19231 102 1 . 1 1 19 19 ARG CA C 19 56.487 56.487 56.524 -0.037 19231 103 1 . 1 1 19 19 ARG CB C 19 26.248 26.248 27.561 -1.313 19231 104 1 . 1 1 19 19 ARG H H 19 7.877 7.877 7.949 -0.072 19231 105 1 . 1 1 20 20 LEU N N 20 118.701 118.701 119.824 -1.123 19231 106 1 . 1 1 20 20 LEU HA H 20 4.530 4.530 4.534 -0.004 19231 107 1 . 1 1 20 20 LEU C C 20 174.619 174.619 173.914 0.705 19231 108 1 . 1 1 20 20 LEU CA C 20 52.854 52.854 53.762 -0.908 19231 109 1 . 1 1 20 20 LEU CB C 20 47.247 47.247 46.409 0.838 19231 110 1 . 1 1 20 20 LEU H H 20 7.565 7.565 7.934 -0.369 19231 111 1 . 1 1 21 21 VAL N N 21 120.636 120.636 119.665 0.971 19231 112 1 . 1 1 21 21 VAL HA H 21 5.197 5.197 5.013 0.184 19231 113 1 . 1 1 21 21 VAL C C 21 174.036 174.036 174.803 -0.767 19231 114 1 . 1 1 21 21 VAL CA C 21 59.871 59.871 60.641 -0.770 19231 115 1 . 1 1 21 21 VAL CB C 21 34.448 34.448 34.715 -0.267 19231 116 1 . 1 1 21 21 VAL H H 21 8.466 8.466 8.245 0.221 19231 117 1 . 1 1 22 22 TRP N N 22 126.709 126.709 125.952 0.757 19231 118 1 . 1 1 22 22 TRP HA H 22 5.130 5.130 5.272 -0.142 19231 119 1 . 1 1 22 22 TRP C C 22 174.877 174.877 174.815 0.062 19231 120 1 . 1 1 22 22 TRP CA C 22 57.067 57.067 56.154 0.913 19231 121 1 . 1 1 22 22 TRP CB C 22 33.137 33.137 32.930 0.207 19231 122 1 . 1 1 22 22 TRP H H 22 9.596 9.596 8.903 0.693 19231 123 1 . 1 1 23 23 LEU N N 23 123.443 123.443 123.496 -0.053 19231 124 1 . 1 1 23 23 LEU HA H 23 5.034 5.034 4.696 0.338 19231 125 1 . 1 1 23 23 LEU C C 23 177.552 177.552 176.604 0.948 19231 126 1 . 1 1 23 23 LEU CA C 23 53.427 53.427 53.863 -0.436 19231 127 1 . 1 1 23 23 LEU CB C 23 43.922 43.922 43.709 0.213 19231 128 1 . 1 1 23 23 LEU H H 23 8.834 8.834 9.202 -0.368 19231 129 1 . 1 1 24 24 GLY N N 24 117.546 117.546 116.796 0.750 19231 130 1 . 1 1 24 24 GLY C C 24 174.915 174.915 174.998 -0.083 19231 131 1 . 1 1 24 24 GLY CA C 24 47.220 47.220 45.754 1.466 19231 132 1 . 1 1 24 24 GLY H H 24 9.401 9.401 8.626 0.775 19231 133 1 . 1 1 25 25 GLU N N 25 124.565 124.565 114.441 10.124 19231 134 1 . 1 1 25 25 GLU HA H 25 4.328 4.328 3.935 0.393 19231 135 1 . 1 1 25 25 GLU C C 25 176.350 176.350 175.509 0.841 19231 136 1 . 1 1 25 25 GLU CA C 25 56.400 56.400 57.929 -1.529 19231 137 1 . 1 1 25 25 GLU CB C 25 29.811 29.811 29.051 0.760 19231 138 1 . 1 1 25 25 GLU H H 25 9.051 9.051 8.717 0.334 19231 139 1 . 1 1 26 26 THR N N 26 117.538 117.538 111.312 6.226 19231 140 1 . 1 1 26 26 THR HA H 26 4.305 4.305 4.623 -0.318 19231 141 1 . 1 1 26 26 THR C C 26 173.226 173.226 173.742 -0.516 19231 142 1 . 1 1 26 26 THR CA C 26 62.118 62.118 60.790 1.328 19231 143 1 . 1 1 26 26 THR CB C 26 70.399 70.399 70.860 -0.461 19231 144 1 . 1 1 26 26 THR H H 26 8.140 8.140 7.496 0.644 19231 145 1 . 1 1 27 27 ALA N N 27 131.183 131.183 128.204 2.979 19231 146 1 . 1 1 27 27 ALA HA H 27 4.090 4.090 3.898 0.192 19231 147 1 . 1 1 27 27 ALA C C 27 177.483 177.483 176.813 0.670 19231 148 1 . 1 1 27 27 ALA CA C 27 52.434 52.434 52.249 0.185 19231 149 1 . 1 1 27 27 ALA CB C 27 17.915 17.915 18.794 -0.879 19231 150 1 . 1 1 27 27 ALA H H 27 8.937 8.937 8.658 0.279 19231 151 1 . 1 1 28 28 LEU N N 28 124.160 124.160 125.693 -1.533 19231 152 1 . 1 1 28 28 LEU HA H 28 4.336 4.336 4.353 -0.017 19231 153 1 . 1 1 28 28 LEU C C 28 176.114 176.114 176.145 -0.031 19231 154 1 . 1 1 28 28 LEU CA C 28 53.606 53.606 54.813 -1.207 19231 155 1 . 1 1 28 28 LEU CB C 28 43.322 43.322 43.655 -0.333 19231 156 1 . 1 1 28 28 LEU H H 28 8.663 8.663 8.033 0.630 19231 157 1 . 1 1 29 29 ASP N N 29 124.715 124.715 126.669 -1.954 19231 158 1 . 1 1 29 29 ASP HA H 29 4.710 4.710 4.788 -0.078 19231 159 1 . 1 1 29 29 ASP C C 29 174.721 174.721 175.206 -0.485 19231 160 1 . 1 1 29 29 ASP CA C 29 53.324 53.324 53.595 -0.271 19231 161 1 . 1 1 29 29 ASP CB C 29 40.336 40.336 40.489 -0.153 19231 162 1 . 1 1 29 29 ASP H H 29 8.690 8.690 8.505 0.185 19231 163 1 . 1 1 30 30 LEU N N 30 123.472 123.472 120.748 2.724 19231 164 1 . 1 1 30 30 LEU HA H 30 4.831 4.831 4.869 -0.038 19231 165 1 . 1 1 30 30 LEU C C 30 177.944 177.944 176.293 1.651 19231 166 1 . 1 1 30 30 LEU CA C 30 52.937 52.937 53.260 -0.323 19231 167 1 . 1 1 30 30 LEU CB C 30 43.980 43.980 44.606 -0.626 19231 168 1 . 1 1 30 30 LEU H H 30 7.969 7.969 7.840 0.129 19231 169 1 . 1 1 31 31 THR N N 31 115.969 115.969 112.168 3.801 19231 170 1 . 1 1 31 31 THR HA H 31 4.700 4.700 4.446 0.254 19231 171 1 . 1 1 31 31 THR C C 31 173.645 173.645 174.861 -1.216 19231 172 1 . 1 1 31 31 THR CA C 31 60.704 60.704 60.337 0.367 19231 173 1 . 1 1 31 31 THR CB C 31 67.869 67.869 68.768 -0.899 19231 174 1 . 1 1 31 31 THR H H 31 8.864 8.864 8.443 0.421 19231 175 1 . 1 1 32 32 PRO HA H 32 4.280 4.280 4.135 0.145 19231 176 1 . 1 1 32 32 PRO C C 32 178.657 178.657 178.617 0.040 19231 177 1 . 1 1 32 32 PRO CA C 32 66.504 66.504 65.803 0.701 19231 178 1 . 1 1 32 32 PRO CB C 32 31.979 31.979 31.805 0.174 19231 179 1 . 1 1 33 33 LYS N N 33 116.417 116.417 116.774 -0.357 19231 180 1 . 1 1 33 33 LYS HA H 33 3.924 3.924 3.982 -0.058 19231 181 1 . 1 1 33 33 LYS C C 33 178.084 178.084 178.937 -0.853 19231 182 1 . 1 1 33 33 LYS CA C 33 59.665 59.665 59.714 -0.049 19231 183 1 . 1 1 33 33 LYS CB C 33 32.572 32.572 31.746 0.826 19231 184 1 . 1 1 33 33 LYS H H 33 8.044 8.044 8.392 -0.348 19231 185 1 . 1 1 34 34 GLU N N 34 118.272 118.272 119.080 -0.808 19231 186 1 . 1 1 34 34 GLU HA H 34 3.620 3.620 3.991 -0.371 19231 187 1 . 1 1 34 34 GLU C C 34 178.512 178.512 178.645 -0.133 19231 188 1 . 1 1 34 34 GLU CA C 34 59.544 59.544 59.034 0.510 19231 189 1 . 1 1 34 34 GLU CB C 34 30.521 30.521 29.276 1.245 19231 190 1 . 1 1 34 34 GLU H H 34 7.376 7.376 7.813 -0.437 19231 191 1 . 1 1 35 35 TYR N N 35 118.351 118.351 119.821 -1.470 19231 192 1 . 1 1 35 35 TYR HA H 35 3.697 3.697 4.091 -0.394 19231 193 1 . 1 1 35 35 TYR C C 35 177.597 177.597 176.937 0.660 19231 194 1 . 1 1 35 35 TYR CA C 35 62.301 62.301 61.309 0.992 19231 195 1 . 1 1 35 35 TYR CB C 35 37.934 37.934 38.133 -0.199 19231 196 1 . 1 1 35 35 TYR H H 35 8.950 8.950 7.662 1.288 19231 197 1 . 1 1 36 36 ALA N N 36 123.913 123.913 122.189 1.724 19231 198 1 . 1 1 36 36 ALA HA H 36 3.743 3.743 4.099 -0.356 19231 199 1 . 1 1 36 36 ALA C C 36 180.061 180.061 179.205 0.856 19231 200 1 . 1 1 36 36 ALA CA C 36 55.413 55.413 54.876 0.537 19231 201 1 . 1 1 36 36 ALA CB C 36 18.062 18.062 18.255 -0.193 19231 202 1 . 1 1 36 36 ALA H H 36 8.147 8.147 7.693 0.454 19231 203 1 . 1 1 37 37 LEU N N 37 116.924 116.924 119.891 -2.967 19231 204 1 . 1 1 37 37 LEU HA H 37 3.910 3.910 4.150 -0.240 19231 205 1 . 1 1 37 37 LEU C C 37 177.760 177.760 179.146 -1.386 19231 206 1 . 1 1 37 37 LEU CA C 37 57.336 57.336 57.848 -0.513 19231 207 1 . 1 1 37 37 LEU CB C 37 43.043 43.043 41.528 1.515 19231 208 1 . 1 1 37 37 LEU H H 37 7.651 7.651 7.535 0.116 19231 209 1 . 1 1 38 38 LEU N N 38 118.232 118.232 119.847 -1.615 19231 210 1 . 1 1 38 38 LEU HA H 38 3.870 3.870 3.805 0.065 19231 211 1 . 1 1 38 38 LEU C C 38 178.524 178.524 178.254 0.270 19231 212 1 . 1 1 38 38 LEU CA C 38 57.397 57.397 58.218 -0.821 19231 213 1 . 1 1 38 38 LEU CB C 38 41.129 41.129 41.322 -0.193 19231 214 1 . 1 1 38 38 LEU H H 38 8.550 8.550 8.567 -0.017 19231 215 1 . 1 1 39 39 SER N N 39 113.045 113.045 114.336 -1.291 19231 216 1 . 1 1 39 39 SER HA H 39 3.700 3.700 3.989 -0.289 19231 217 1 . 1 1 39 39 SER C C 39 175.854 175.854 176.851 -0.997 19231 218 1 . 1 1 39 39 SER CA C 39 62.126 62.126 61.711 0.415 19231 219 1 . 1 1 39 39 SER CB C 39 68.227 68.227 62.655 5.572 19231 220 1 . 1 1 39 39 SER H H 39 8.540 8.540 8.023 0.517 19231 221 1 . 1 1 40 40 ARG N N 40 121.521 121.521 121.446 0.075 19231 222 1 . 1 1 40 40 ARG HA H 40 4.010 4.010 4.186 -0.176 19231 223 1 . 1 1 40 40 ARG C C 40 178.731 178.731 178.457 0.274 19231 224 1 . 1 1 40 40 ARG CA C 40 58.311 58.311 58.202 0.109 19231 225 1 . 1 1 40 40 ARG CB C 40 28.525 28.525 29.853 -1.328 19231 226 1 . 1 1 40 40 ARG H H 40 7.112 7.112 7.601 -0.489 19231 227 1 . 1 1 41 41 LEU N N 41 115.939 115.939 120.309 -4.370 19231 228 1 . 1 1 41 41 LEU HA H 41 3.992 3.992 3.967 0.025 19231 229 1 . 1 1 41 41 LEU C C 41 180.049 180.049 178.921 1.128 19231 230 1 . 1 1 41 41 LEU CA C 41 57.836 57.836 58.051 -0.215 19231 231 1 . 1 1 41 41 LEU CB C 41 42.016 42.016 41.794 0.222 19231 232 1 . 1 1 41 41 LEU H H 41 7.960 7.960 7.853 0.107 19231 233 1 . 1 1 42 42 MET N N 42 116.335 116.335 116.412 -0.077 19231 234 1 . 1 1 42 42 MET HA H 42 3.877 3.877 4.123 -0.246 19231 235 1 . 1 1 42 42 MET C C 42 178.748 178.748 178.567 0.181 19231 236 1 . 1 1 42 42 MET CA C 42 59.530 59.530 57.742 1.788 19231 237 1 . 1 1 42 42 MET CB C 42 33.449 33.449 32.252 1.197 19231 238 1 . 1 1 42 42 MET H H 42 8.825 8.825 8.229 0.596 19231 239 1 . 1 1 43 43 MET N N 43 119.000 119.000 119.658 -0.658 19231 240 1 . 1 1 43 43 MET HA H 43 4.137 4.137 4.219 -0.082 19231 241 1 . 1 1 43 43 MET C C 43 176.813 176.813 176.790 0.023 19231 242 1 . 1 1 43 43 MET CA C 43 58.405 58.405 58.160 0.245 19231 243 1 . 1 1 43 43 MET CB C 43 32.382 32.382 32.780 -0.398 19231 244 1 . 1 1 43 43 MET H H 43 8.250 8.250 7.593 0.657 19231 245 1 . 1 1 44 44 LYS N N 44 117.715 117.715 117.349 0.366 19231 246 1 . 1 1 44 44 LYS HA H 44 4.631 4.631 4.551 0.080 19231 247 1 . 1 1 44 44 LYS C C 44 175.226 175.226 174.958 0.268 19231 248 1 . 1 1 44 44 LYS CA C 44 52.826 52.826 54.736 -1.910 19231 249 1 . 1 1 44 44 LYS CB C 44 31.471 31.471 32.527 -1.056 19231 250 1 . 1 1 44 44 LYS H H 44 7.088 7.088 7.398 -0.310 19231 251 1 . 1 1 45 45 ALA N N 45 122.613 122.613 122.310 0.303 19231 252 1 . 1 1 45 45 ALA HA H 45 4.319 4.319 4.320 -0.001 19231 253 1 . 1 1 45 45 ALA C C 45 178.994 178.994 178.175 0.819 19231 254 1 . 1 1 45 45 ALA CA C 45 54.674 54.674 53.570 1.104 19231 255 1 . 1 1 45 45 ALA CB C 45 19.397 19.397 18.739 0.657 19231 256 1 . 1 1 45 45 ALA H H 45 6.952 6.952 7.752 -0.800 19231 257 1 . 1 1 46 46 GLY N N 46 109.561 109.561 111.286 -1.725 19231 258 1 . 1 1 46 46 GLY C C 46 173.547 173.547 174.271 -0.724 19231 259 1 . 1 1 46 46 GLY CA C 46 45.466 45.466 45.065 0.401 19231 260 1 . 1 1 46 46 GLY H H 46 8.944 8.944 8.632 0.312 19231 261 1 . 1 1 47 47 SER N N 47 116.886 116.886 116.785 0.101 19231 262 1 . 1 1 47 47 SER HA H 47 5.130 5.130 4.958 0.172 19231 263 1 . 1 1 47 47 SER C C 47 170.481 170.481 172.073 -1.592 19231 264 1 . 1 1 47 47 SER CA C 47 55.988 55.988 55.475 0.513 19231 265 1 . 1 1 47 47 SER CB C 47 65.098 65.098 64.971 0.127 19231 266 1 . 1 1 47 47 SER H H 47 8.759 8.759 7.734 1.025 19231 267 1 . 1 1 48 48 PRO HA H 48 4.418 4.418 4.777 -0.359 19231 268 1 . 1 1 48 48 PRO C C 48 175.854 175.854 176.290 -0.436 19231 269 1 . 1 1 48 48 PRO CA C 48 62.446 62.446 62.655 -0.210 19231 270 1 . 1 1 48 48 PRO CB C 48 32.909 32.909 32.017 0.892 19231 271 1 . 1 1 49 49 VAL N N 49 124.173 124.173 124.380 -0.207 19231 272 1 . 1 1 49 49 VAL HA H 49 4.411 4.411 4.274 0.137 19231 273 1 . 1 1 49 49 VAL C C 49 175.186 175.186 175.588 -0.402 19231 274 1 . 1 1 49 49 VAL CA C 49 61.459 61.459 60.989 0.470 19231 275 1 . 1 1 49 49 VAL CB C 49 33.496 33.496 33.851 -0.355 19231 276 1 . 1 1 49 49 VAL H H 49 9.235 9.235 8.805 0.430 19231 277 1 . 1 1 50 50 HIS N N 50 128.035 128.035 126.017 2.018 19231 278 1 . 1 1 50 50 HIS HA H 50 3.570 3.570 4.250 -0.680 19231 279 1 . 1 1 50 50 HIS C C 50 177.130 177.130 176.030 1.100 19231 280 1 . 1 1 50 50 HIS CA C 50 58.453 58.453 55.757 2.696 19231 281 1 . 1 1 50 50 HIS CB C 50 31.542 31.542 30.612 0.930 19231 282 1 . 1 1 50 50 HIS H H 50 8.791 8.791 8.810 -0.019 19231 283 1 . 1 1 51 51 ARG N N 51 125.631 125.631 126.637 -1.006 19231 284 1 . 1 1 51 51 ARG HA H 51 3.880 3.880 3.916 -0.036 19231 285 1 . 1 1 51 51 ARG C C 51 176.786 176.786 177.461 -0.675 19231 286 1 . 1 1 51 51 ARG CA C 51 60.079 60.079 59.119 0.960 19231 287 1 . 1 1 51 51 ARG CB C 51 30.150 30.150 29.888 0.262 19231 288 1 . 1 1 51 51 ARG H H 51 8.544 8.544 8.499 0.045 19231 289 1 . 1 1 52 52 GLU N N 52 120.964 120.964 119.819 1.145 19231 290 1 . 1 1 52 52 GLU HA H 52 4.080 4.080 3.961 0.119 19231 291 1 . 1 1 52 52 GLU C C 52 179.334 179.334 178.489 0.845 19231 292 1 . 1 1 52 52 GLU CA C 52 59.769 59.769 58.880 0.889 19231 293 1 . 1 1 52 52 GLU CB C 52 29.228 29.228 28.915 0.313 19231 294 1 . 1 1 52 52 GLU H H 52 10.831 10.831 7.439 3.392 19231 295 1 . 1 1 53 53 ILE N N 53 119.337 119.337 119.167 0.170 19231 296 1 . 1 1 53 53 ILE HA H 53 3.871 3.871 3.738 0.133 19231 297 1 . 1 1 53 53 ILE C C 53 178.080 178.080 178.155 -0.075 19231 298 1 . 1 1 53 53 ILE CA C 53 63.110 63.110 64.335 -1.225 19231 299 1 . 1 1 53 53 ILE CB C 53 37.496 37.496 37.631 -0.135 19231 300 1 . 1 1 53 53 ILE H H 53 7.239 7.239 7.670 -0.431 19231 301 1 . 1 1 54 54 LEU N N 54 118.502 118.502 119.093 -0.591 19231 302 1 . 1 1 54 54 LEU HA H 54 4.160 4.160 4.152 0.008 19231 303 1 . 1 1 54 54 LEU C C 54 178.676 178.676 179.315 -0.639 19231 304 1 . 1 1 54 54 LEU CA C 54 57.074 57.074 57.372 -0.298 19231 305 1 . 1 1 54 54 LEU CB C 54 41.323 41.323 41.346 -0.023 19231 306 1 . 1 1 54 54 LEU H H 54 7.198 7.198 7.323 -0.125 19231 307 1 . 1 1 55 55 TYR N N 55 117.114 117.114 119.623 -2.509 19231 308 1 . 1 1 55 55 TYR HA H 55 4.135 4.135 4.093 0.042 19231 309 1 . 1 1 55 55 TYR C C 55 177.987 177.987 177.483 0.504 19231 310 1 . 1 1 55 55 TYR CA C 55 61.137 61.137 61.528 -0.391 19231 311 1 . 1 1 55 55 TYR CB C 55 38.107 38.107 38.198 -0.091 19231 312 1 . 1 1 55 55 TYR H H 55 8.872 8.872 7.898 0.974 19231 313 1 . 1 1 56 56 ASN N N 56 116.720 116.720 116.233 0.487 19231 314 1 . 1 1 56 56 ASN HA H 56 4.485 4.485 4.560 -0.075 19231 315 1 . 1 1 56 56 ASN C C 56 177.439 177.439 176.248 1.191 19231 316 1 . 1 1 56 56 ASN CA C 56 56.013 56.013 55.863 0.150 19231 317 1 . 1 1 56 56 ASN CB C 56 38.290 38.290 38.078 0.212 19231 318 1 . 1 1 56 56 ASN H H 56 7.796 7.796 7.922 -0.126 19231 319 1 . 1 1 57 57 ASP N N 57 118.532 118.532 120.305 -1.773 19231 320 1 . 1 1 57 57 ASP HA H 57 4.540 4.540 4.383 0.157 19231 321 1 . 1 1 57 57 ASP C C 57 177.886 177.886 177.480 0.406 19231 322 1 . 1 1 57 57 ASP CA C 57 57.086 57.086 56.710 0.376 19231 323 1 . 1 1 57 57 ASP CB C 57 40.880 40.880 40.773 0.107 19231 324 1 . 1 1 57 57 ASP H H 57 7.842 7.842 7.775 0.067 19231 325 1 . 1 1 58 58 ILE N N 58 109.975 109.975 117.052 -7.077 19231 326 1 . 1 1 58 58 ILE HA H 58 4.300 4.300 3.852 0.448 19231 327 1 . 1 1 58 58 ILE C C 58 175.916 175.916 176.040 -0.124 19231 328 1 . 1 1 58 58 ILE CA C 58 61.340 61.340 62.047 -0.707 19231 329 1 . 1 1 58 58 ILE CB C 58 38.830 38.830 38.429 0.401 19231 330 1 . 1 1 58 58 ILE H H 58 7.277 7.277 7.389 -0.112 19231 331 1 . 1 1 59 59 TYR N N 59 122.761 122.761 117.433 5.328 19231 332 1 . 1 1 59 59 TYR HA H 59 4.296 4.296 4.481 -0.185 19231 333 1 . 1 1 59 59 TYR C C 59 176.037 176.037 175.269 0.768 19231 334 1 . 1 1 59 59 TYR CA C 59 59.170 59.170 57.284 1.886 19231 335 1 . 1 1 59 59 TYR CB C 59 38.277 38.277 39.128 -0.851 19231 336 1 . 1 1 59 59 TYR H H 59 7.788 7.788 7.806 -0.018 19231 337 1 . 1 1 60 60 SER N N 60 117.350 117.350 116.142 1.208 19231 338 1 . 1 1 60 60 SER HA H 60 4.292 4.292 4.394 -0.102 19231 339 1 . 1 1 60 60 SER C C 60 174.206 174.206 174.276 -0.070 19231 340 1 . 1 1 60 60 SER CA C 60 57.976 57.976 58.999 -1.023 19231 341 1 . 1 1 60 60 SER CB C 60 63.884 63.884 63.399 0.485 19231 342 1 . 1 1 60 60 SER H H 60 7.721 7.721 8.501 -0.780 19231 343 1 . 1 1 61 61 TRP N N 61 122.170 122.170 120.570 1.600 19231 344 1 . 1 1 61 61 TRP HA H 61 4.477 4.477 4.696 -0.219 19231 345 1 . 1 1 61 61 TRP C C 61 175.798 175.798 175.573 0.225 19231 346 1 . 1 1 61 61 TRP CA C 61 57.863 57.863 57.318 0.545 19231 347 1 . 1 1 61 61 TRP CB C 61 28.826 28.826 28.668 0.158 19231 348 1 . 1 1 61 61 TRP H H 61 7.990 7.990 7.918 0.072 19231 349 1 . 1 1 62 62 ASP N N 62 119.118 119.118 119.930 -0.812 19231 350 1 . 1 1 62 62 ASP HA H 62 4.440 4.440 4.422 0.018 19231 351 1 . 1 1 62 62 ASP C C 62 175.559 175.559 176.082 -0.523 19231 352 1 . 1 1 62 62 ASP CA C 62 53.811 53.811 54.907 -1.096 19231 353 1 . 1 1 62 62 ASP CB C 62 40.716 40.716 41.226 -0.510 19231 354 1 . 1 1 62 62 ASP H H 62 7.900 7.900 7.932 -0.032 19231 355 1 . 1 1 63 63 ASN N N 63 117.586 117.586 118.361 -0.775 19231 356 1 . 1 1 63 63 ASN HA H 63 4.546 4.546 4.533 0.013 19231 357 1 . 1 1 63 63 ASN C C 63 174.737 174.737 174.596 0.141 19231 358 1 . 1 1 63 63 ASN CA C 63 53.158 53.158 54.002 -0.844 19231 359 1 . 1 1 63 63 ASN CB C 63 38.743 38.743 38.681 0.062 19231 360 1 . 1 1 63 63 ASN H H 63 8.080 8.080 8.306 -0.226 19231 361 1 . 1 1 64 64 GLU N N 64 121.831 121.831 119.731 2.100 19231 362 1 . 1 1 64 64 GLU HA H 64 4.580 4.580 4.410 0.170 19231 363 1 . 1 1 64 64 GLU C C 64 174.706 174.706 174.376 0.330 19231 364 1 . 1 1 64 64 GLU CA C 64 54.760 54.760 55.692 -0.932 19231 365 1 . 1 1 64 64 GLU CB C 64 29.829 29.829 29.714 0.115 19231 366 1 . 1 1 64 64 GLU H H 64 8.224 8.224 8.466 -0.242 19231 367 1 . 1 1 65 65 PRO HA H 65 4.394 4.394 4.436 -0.042 19231 368 1 . 1 1 65 65 PRO C C 65 177.312 177.312 176.293 1.019 19231 369 1 . 1 1 65 65 PRO CA C 65 63.824 63.824 62.838 0.986 19231 370 1 . 1 1 65 65 PRO CB C 65 31.871 31.871 31.601 0.270 19231 371 1 . 1 1 66 66 ALA N N 66 122.755 122.755 125.768 -3.013 19231 372 1 . 1 1 66 66 ALA HA H 66 4.350 4.350 4.192 0.158 19231 373 1 . 1 1 66 66 ALA C C 66 178.352 178.352 177.670 0.682 19231 374 1 . 1 1 66 66 ALA CA C 66 52.848 52.848 53.257 -0.409 19231 375 1 . 1 1 66 66 ALA CB C 66 19.086 19.086 19.025 0.061 19231 376 1 . 1 1 66 66 ALA H H 66 8.465 8.465 8.295 0.170 19231 377 1 . 1 1 67 67 THR N N 67 111.079 111.079 112.168 -1.089 19231 378 1 . 1 1 67 67 THR HA H 67 4.287 4.287 4.168 0.119 19231 379 1 . 1 1 67 67 THR C C 67 175.040 175.040 173.706 1.334 19231 380 1 . 1 1 67 67 THR CA C 67 62.505 62.505 62.338 0.167 19231 381 1 . 1 1 67 67 THR CB C 67 69.187 69.187 69.077 0.110 19231 382 1 . 1 1 67 67 THR H H 67 8.002 8.002 7.731 0.271 19231 383 1 . 1 1 68 68 ASN N N 68 120.768 120.768 120.595 0.173 19231 384 1 . 1 1 68 68 ASN HA H 68 4.979 4.979 4.589 0.390 19231 385 1 . 1 1 68 68 ASN C C 68 175.250 175.250 174.635 0.615 19231 386 1 . 1 1 68 68 ASN CA C 68 53.036 53.036 53.961 -0.925 19231 387 1 . 1 1 68 68 ASN CB C 68 38.678 38.678 38.770 -0.092 19231 388 1 . 1 1 68 68 ASN H H 68 8.280 8.280 8.403 -0.123 19231 389 1 . 1 1 69 69 THR N N 69 112.288 112.288 115.772 -3.484 19231 390 1 . 1 1 69 69 THR HA H 69 4.480 4.480 4.250 0.230 19231 391 1 . 1 1 69 69 THR C C 69 175.830 175.830 175.188 0.642 19231 392 1 . 1 1 69 69 THR CA C 69 62.328 62.328 63.335 -1.007 19231 393 1 . 1 1 69 69 THR CB C 69 69.927 69.927 69.235 0.692 19231 394 1 . 1 1 69 69 THR H H 69 7.691 7.691 8.144 -0.453 19231 395 1 . 1 1 70 70 LEU N N 70 123.384 123.384 121.713 1.671 19231 396 1 . 1 1 70 70 LEU HA H 70 4.080 4.080 4.134 -0.054 19231 397 1 . 1 1 70 70 LEU C C 70 177.457 177.457 178.324 -0.867 19231 398 1 . 1 1 70 70 LEU CA C 70 58.608 58.608 58.366 0.242 19231 399 1 . 1 1 70 70 LEU CB C 70 41.494 41.494 41.255 0.239 19231 400 1 . 1 1 70 70 LEU H H 70 8.843 8.843 8.166 0.677 19231 401 1 . 1 1 71 71 GLU N N 71 116.878 116.878 118.916 -2.038 19231 402 1 . 1 1 71 71 GLU HA H 71 3.705 3.705 4.099 -0.394 19231 403 1 . 1 1 71 71 GLU C C 71 179.305 179.305 178.647 0.658 19231 404 1 . 1 1 71 71 GLU CA C 71 61.171 61.171 59.219 1.952 19231 405 1 . 1 1 71 71 GLU CB C 71 28.828 28.828 29.067 -0.239 19231 406 1 . 1 1 71 71 GLU H H 71 8.652 8.652 8.577 0.075 19231 407 1 . 1 1 72 72 VAL N N 72 121.419 121.419 119.309 2.110 19231 408 1 . 1 1 72 72 VAL HA H 72 3.685 3.685 3.736 -0.051 19231 409 1 . 1 1 72 72 VAL C C 72 177.680 177.680 177.895 -0.215 19231 410 1 . 1 1 72 72 VAL CA C 72 66.111 66.111 66.011 0.100 19231 411 1 . 1 1 72 72 VAL CB C 72 31.467 31.467 31.488 -0.021 19231 412 1 . 1 1 72 72 VAL H H 72 7.559 7.559 7.661 -0.102 19231 413 1 . 1 1 73 73 HIS N N 73 118.272 118.272 119.784 -1.512 19231 414 1 . 1 1 73 73 HIS HA H 73 4.460 4.460 4.282 0.178 19231 415 1 . 1 1 73 73 HIS C C 73 178.616 178.616 177.978 0.638 19231 416 1 . 1 1 73 73 HIS CA C 73 60.206 60.206 59.567 0.639 19231 417 1 . 1 1 73 73 HIS CB C 73 31.269 31.269 29.520 1.749 19231 418 1 . 1 1 73 73 HIS H H 73 7.420 7.420 8.046 -0.626 19231 419 1 . 1 1 74 74 ILE N N 74 118.940 118.940 119.483 -0.543 19231 420 1 . 1 1 74 74 ILE HA H 74 3.570 3.570 3.633 -0.063 19231 421 1 . 1 1 74 74 ILE C C 74 177.819 177.819 177.605 0.214 19231 422 1 . 1 1 74 74 ILE CA C 74 61.943 61.943 65.165 -3.222 19231 423 1 . 1 1 74 74 ILE CB C 74 34.275 34.275 37.483 -3.208 19231 424 1 . 1 1 74 74 ILE H H 74 8.515 8.515 7.869 0.646 19231 425 1 . 1 1 75 75 HIS N N 75 120.484 120.484 119.494 0.990 19231 426 1 . 1 1 75 75 HIS HA H 75 4.270 4.270 4.210 0.060 19231 427 1 . 1 1 75 75 HIS C C 75 177.445 177.445 177.499 -0.054 19231 428 1 . 1 1 75 75 HIS CA C 75 60.116 60.116 59.764 0.352 19231 429 1 . 1 1 75 75 HIS CB C 75 28.812 28.812 29.769 -0.957 19231 430 1 . 1 1 75 75 HIS H H 75 8.189 8.189 7.933 0.256 19231 431 1 . 1 1 76 76 ASN N N 76 119.098 119.098 118.151 0.947 19231 432 1 . 1 1 76 76 ASN HA H 76 4.389 4.389 4.552 -0.163 19231 433 1 . 1 1 76 76 ASN C C 76 178.615 178.615 177.777 0.838 19231 434 1 . 1 1 76 76 ASN CA C 76 55.505 55.505 55.859 -0.354 19231 435 1 . 1 1 76 76 ASN CB C 76 37.309 37.309 38.659 -1.350 19231 436 1 . 1 1 76 76 ASN H H 76 8.456 8.456 8.192 0.264 19231 437 1 . 1 1 77 77 LEU N N 77 120.517 120.517 120.964 -0.447 19231 438 1 . 1 1 77 77 LEU HA H 77 3.951 3.951 4.123 -0.172 19231 439 1 . 1 1 77 77 LEU C C 77 178.945 178.945 178.318 0.627 19231 440 1 . 1 1 77 77 LEU CA C 77 57.996 57.996 57.643 0.353 19231 441 1 . 1 1 77 77 LEU CB C 77 43.106 43.106 41.502 1.604 19231 442 1 . 1 1 77 77 LEU H H 77 8.579 8.579 8.262 0.317 19231 443 1 . 1 1 78 78 ARG N N 78 119.521 119.521 120.100 -0.579 19231 444 1 . 1 1 78 78 ARG HA H 78 3.660 3.660 3.798 -0.138 19231 445 1 . 1 1 78 78 ARG C C 78 178.766 178.766 178.323 0.443 19231 446 1 . 1 1 78 78 ARG CA C 78 59.435 59.435 59.972 -0.537 19231 447 1 . 1 1 78 78 ARG CB C 78 30.834 30.834 30.067 0.767 19231 448 1 . 1 1 78 78 ARG H H 78 8.687 8.687 8.664 0.023 19231 449 1 . 1 1 79 79 GLU N N 79 116.882 116.882 116.691 0.191 19231 450 1 . 1 1 79 79 GLU HA H 79 3.929 3.929 4.082 -0.153 19231 451 1 . 1 1 79 79 GLU C C 79 178.226 178.226 178.510 -0.284 19231 452 1 . 1 1 79 79 GLU CA C 79 58.666 58.666 58.667 -0.001 19231 453 1 . 1 1 79 79 GLU CB C 79 29.551 29.551 29.126 0.425 19231 454 1 . 1 1 79 79 GLU H H 79 7.717 7.717 7.776 -0.059 19231 455 1 . 1 1 80 80 LYS N N 80 116.574 116.574 118.135 -1.561 19231 456 1 . 1 1 80 80 LYS HA H 80 4.252 4.252 4.120 0.132 19231 457 1 . 1 1 80 80 LYS C C 80 178.413 178.413 178.473 -0.060 19231 458 1 . 1 1 80 80 LYS CA C 80 59.061 59.061 58.465 0.596 19231 459 1 . 1 1 80 80 LYS CB C 80 34.438 34.438 32.898 1.540 19231 460 1 . 1 1 80 80 LYS H H 80 7.419 7.419 7.672 -0.253 19231 461 1 . 1 1 81 81 ILE N N 81 108.393 108.393 111.724 -3.331 19231 462 1 . 1 1 81 81 ILE HA H 81 4.684 4.684 4.040 0.644 19231 463 1 . 1 1 81 81 ILE C C 81 174.986 174.986 176.506 -1.520 19231 464 1 . 1 1 81 81 ILE CA C 81 61.146 61.146 61.810 -0.664 19231 465 1 . 1 1 81 81 ILE CB C 81 39.212 39.212 38.455 0.757 19231 466 1 . 1 1 81 81 ILE H H 81 8.162 8.162 7.605 0.557 19231 467 1 . 1 1 82 82 GLY N N 82 113.636 113.636 109.657 3.979 19231 468 1 . 1 1 82 82 GLY C C 82 175.419 175.419 175.029 0.390 19231 469 1 . 1 1 82 82 GLY CA C 82 44.856 44.856 44.842 0.014 19231 470 1 . 1 1 82 82 GLY H H 82 7.852 7.852 7.867 -0.015 19231 471 1 . 1 1 83 83 LYS N N 83 125.732 125.732 122.470 3.262 19231 472 1 . 1 1 83 83 LYS HA H 83 3.730 3.730 3.905 -0.175 19231 473 1 . 1 1 83 83 LYS C C 83 178.177 178.177 178.223 -0.046 19231 474 1 . 1 1 83 83 LYS CA C 83 59.922 59.922 58.932 0.990 19231 475 1 . 1 1 83 83 LYS CB C 83 32.366 32.366 31.882 0.484 19231 476 1 . 1 1 83 83 LYS H H 83 8.511 8.511 8.093 0.418 19231 477 1 . 1 1 84 84 SER N N 84 110.852 110.852 116.447 -5.595 19231 478 1 . 1 1 84 84 SER HA H 84 4.346 4.346 4.173 0.173 19231 479 1 . 1 1 84 84 SER C C 84 175.008 175.008 175.838 -0.830 19231 480 1 . 1 1 84 84 SER CA C 84 58.935 58.935 61.079 -2.144 19231 481 1 . 1 1 84 84 SER CB C 84 63.140 63.140 62.696 0.444 19231 482 1 . 1 1 84 84 SER H H 84 8.438 8.438 8.278 0.160 19231 483 1 . 1 1 85 85 ARG N N 85 118.561 118.561 118.456 0.105 19231 484 1 . 1 1 85 85 ARG HA H 85 4.230 4.230 4.358 -0.128 19231 485 1 . 1 1 85 85 ARG C C 85 176.208 176.208 175.433 0.775 19231 486 1 . 1 1 85 85 ARG CA C 85 57.156 57.156 55.824 1.332 19231 487 1 . 1 1 85 85 ARG CB C 85 30.388 30.388 30.082 0.306 19231 488 1 . 1 1 85 85 ARG H H 85 7.656 7.656 7.798 -0.142 19231 489 1 . 1 1 86 86 ILE N N 86 113.200 113.200 117.400 -4.200 19231 490 1 . 1 1 86 86 ILE HA H 86 4.895 4.895 4.332 0.563 19231 491 1 . 1 1 86 86 ILE C C 86 175.573 175.573 174.770 0.803 19231 492 1 . 1 1 86 86 ILE CA C 86 59.461 59.461 59.631 -0.170 19231 493 1 . 1 1 86 86 ILE CB C 86 39.188 39.188 41.347 -2.159 19231 494 1 . 1 1 86 86 ILE H H 86 6.880 6.880 7.750 -0.870 19231 495 1 . 1 1 87 87 ARG N N 87 128.727 128.727 123.486 5.241 19231 496 1 . 1 1 87 87 ARG HA H 87 4.797 4.797 4.735 0.062 19231 497 1 . 1 1 87 87 ARG C C 87 176.501 176.501 175.028 1.473 19231 498 1 . 1 1 87 87 ARG CA C 87 53.664 53.664 54.815 -1.151 19231 499 1 . 1 1 87 87 ARG CB C 87 32.011 32.011 33.188 -1.177 19231 500 1 . 1 1 87 87 ARG H H 87 9.786 9.786 8.516 1.270 19231 501 1 . 1 1 88 88 THR N N 88 122.821 122.821 116.508 6.313 19231 502 1 . 1 1 88 88 THR HA H 88 4.138 4.138 4.072 0.066 19231 503 1 . 1 1 88 88 THR C C 88 173.802 173.802 174.269 -0.467 19231 504 1 . 1 1 88 88 THR CA C 88 63.514 63.514 61.205 2.309 19231 505 1 . 1 1 88 88 THR CB C 88 68.908 68.908 69.551 -0.643 19231 506 1 . 1 1 88 88 THR H H 88 9.421 9.421 8.409 1.012 19231 507 1 . 1 1 89 89 VAL N N 89 130.400 130.400 126.370 4.030 19231 508 1 . 1 1 89 89 VAL HA H 89 4.180 4.180 4.163 0.017 19231 509 1 . 1 1 89 89 VAL CA C 89 61.378 61.378 61.269 0.109 19231 510 1 . 1 1 89 89 VAL CB C 89 30.886 30.886 31.948 -1.062 19231 511 1 . 1 1 89 89 VAL H H 89 8.400 8.400 7.901 0.499 19231 512 1 . 1 1 91 91 GLY C C 91 173.530 173.530 173.810 -0.280 19231 513 1 . 1 1 91 91 GLY CA C 91 45.525 45.525 45.781 -0.256 19231 514 1 . 1 1 92 92 PHE N N 92 119.601 119.601 120.049 -0.448 19231 515 1 . 1 1 92 92 PHE HA H 92 4.441 4.441 4.612 -0.171 19231 516 1 . 1 1 92 92 PHE C C 92 174.744 174.744 174.287 0.457 19231 517 1 . 1 1 92 92 PHE CA C 92 60.054 60.054 58.785 1.269 19231 518 1 . 1 1 92 92 PHE CB C 92 43.433 43.433 40.496 2.937 19231 519 1 . 1 1 92 92 PHE H H 92 8.332 8.332 7.868 0.464 19231 520 1 . 1 1 93 93 GLY N N 93 105.445 105.445 105.463 -0.018 19231 521 1 . 1 1 93 93 GLY C C 93 171.776 171.776 172.438 -0.662 19231 522 1 . 1 1 93 93 GLY CA C 93 46.715 46.715 44.695 2.020 19231 523 1 . 1 1 93 93 GLY H H 93 8.377 8.377 7.630 0.747 19231 524 1 . 1 1 94 94 TYR N N 94 122.471 122.471 116.643 5.828 19231 525 1 . 1 1 94 94 TYR HA H 94 5.430 5.430 4.798 0.632 19231 526 1 . 1 1 94 94 TYR C C 94 172.889 172.889 173.862 -0.973 19231 527 1 . 1 1 94 94 TYR CA C 94 57.369 57.369 57.765 -0.396 19231 528 1 . 1 1 94 94 TYR CB C 94 44.052 44.052 43.953 0.098 19231 529 1 . 1 1 94 94 TYR H H 94 8.475 8.475 8.110 0.365 19231 530 1 . 1 1 95 95 MET N N 95 118.643 118.643 118.983 -0.340 19231 531 1 . 1 1 95 95 MET HA H 95 4.890 4.890 4.848 0.042 19231 532 1 . 1 1 95 95 MET C C 95 173.438 173.438 173.692 -0.254 19231 533 1 . 1 1 95 95 MET CA C 95 54.125 54.125 55.277 -1.152 19231 534 1 . 1 1 95 95 MET CB C 95 39.364 39.364 36.878 2.486 19231 535 1 . 1 1 95 95 MET H H 95 8.936 8.936 8.527 0.409 19231 536 1 . 1 1 96 96 LEU N N 96 130.194 130.194 125.664 4.530 19231 537 1 . 1 1 96 96 LEU HA H 96 5.080 5.080 4.561 0.519 19231 538 1 . 1 1 96 96 LEU C C 96 174.912 174.912 176.418 -1.506 19231 539 1 . 1 1 96 96 LEU CA C 96 53.482 53.482 53.974 -0.492 19231 540 1 . 1 1 96 96 LEU CB C 96 43.756 43.756 42.851 0.905 19231 541 1 . 1 1 96 96 LEU H H 96 9.848 9.848 8.739 1.109 19231 542 1 . 1 1 97 97 ALA N N 97 131.168 131.168 126.445 4.723 19231 543 1 . 1 1 97 97 ALA HA H 97 4.336 4.336 4.198 0.138 19231 544 1 . 1 1 97 97 ALA C C 97 176.560 176.560 177.353 -0.793 19231 545 1 . 1 1 97 97 ALA CA C 97 51.895 51.895 52.503 -0.608 19231 546 1 . 1 1 97 97 ALA CB C 97 20.011 20.011 19.187 0.824 19231 547 1 . 1 1 97 97 ALA H H 97 8.681 8.681 8.388 0.293 19231 548 1 . 1 1 98 98 ASN N N 98 118.268 118.268 122.898 -4.630 19231 549 1 . 1 1 98 98 ASN HA H 98 4.680 4.680 4.492 0.188 19231 550 1 . 1 1 98 98 ASN C C 98 174.939 174.939 174.644 0.295 19231 551 1 . 1 1 98 98 ASN CA C 98 52.429 52.429 53.928 -1.499 19231 552 1 . 1 1 98 98 ASN CB C 98 38.912 38.912 38.438 0.474 19231 553 1 . 1 1 98 98 ASN H H 98 8.654 8.654 8.617 0.037 19231 554 1 . 1 1 99 99 ASN N N 99 117.488 117.488 116.299 1.189 19231 555 1 . 1 1 99 99 ASN HA H 99 4.800 4.800 4.580 0.220 19231 556 1 . 1 1 99 99 ASN C C 99 174.744 174.744 175.102 -0.358 19231 557 1 . 1 1 99 99 ASN CA C 99 53.048 53.048 53.478 -0.430 19231 558 1 . 1 1 99 99 ASN CB C 99 39.039 39.039 38.409 0.630 19231 559 1 . 1 1 99 99 ASN H H 99 8.131 8.131 8.368 -0.237 19231 560 1 . 1 1 100 100 ILE N N 100 118.881 118.881 119.011 -0.130 19231 561 1 . 1 1 100 100 ILE HA H 100 4.240 4.240 3.973 0.267 19231 562 1 . 1 1 100 100 ILE C C 100 175.769 175.769 176.342 -0.573 19231 563 1 . 1 1 100 100 ILE CA C 100 61.004 61.004 62.480 -1.476 19231 564 1 . 1 1 100 100 ILE CB C 100 38.679 38.679 37.550 1.129 19231 565 1 . 1 1 100 100 ILE H H 100 8.139 8.139 8.398 -0.259 19231 566 1 . 1 1 101 101 ASP N N 101 123.516 123.516 118.471 5.045 19231 567 1 . 1 1 101 101 ASP HA H 101 4.720 4.720 4.536 0.184 19231 568 1 . 1 1 101 101 ASP C C 101 176.210 176.210 176.544 -0.334 19231 569 1 . 1 1 101 101 ASP CA C 101 54.513 54.513 55.297 -0.784 19231 570 1 . 1 1 101 101 ASP CB C 101 41.221 41.221 40.470 0.751 19231 571 1 . 1 1 101 101 ASP H H 101 8.426 8.426 8.253 0.173 19231 572 1 . 1 1 102 102 THR N N 102 113.358 113.358 114.544 -1.186 19231 573 1 . 1 1 102 102 THR HA H 102 4.360 4.360 4.206 0.154 19231 574 1 . 1 1 102 102 THR C C 102 173.733 173.733 174.329 -0.596 19231 575 1 . 1 1 102 102 THR CA C 102 61.477 61.477 62.719 -1.242 19231 576 1 . 1 1 102 102 THR CB C 102 69.788 69.788 69.202 0.586 19231 577 1 . 1 1 102 102 THR H H 102 8.045 8.045 7.674 0.371 19231 stop_ save_