data_25079 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25079 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 25079 _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 SER CB C 2 63.463 63.463 63.827 -0.364 25079 2 1 1 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.414 0.028 25079 3 1 1 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.895 -0.543 25079 4 1 1 . 1 1 4 4 PRO CB C 4 31.915 31.915 30.888 1.027 25079 5 1 1 . 1 1 5 5 VAL N N 5 119.530 119.530 113.189 6.341 25079 6 1 1 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.397 -0.332 25079 7 1 1 . 1 1 5 5 VAL CA C 5 62.546 62.546 61.694 0.852 25079 8 1 1 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.586 -0.134 25079 9 1 1 . 1 1 5 5 VAL H H 5 8.193 8.193 7.417 0.776 25079 10 1 1 . 1 1 6 6 SER N N 6 118.536 118.536 119.102 -0.566 25079 11 1 1 . 1 1 6 6 SER HA H 6 4.474 4.474 4.206 0.268 25079 12 1 1 . 1 1 6 6 SER CA C 6 58.259 58.259 60.927 -2.668 25079 13 1 1 . 1 1 6 6 SER CB C 6 64.180 64.180 63.192 0.988 25079 14 1 1 . 1 1 6 6 SER H H 6 8.246 8.246 7.860 0.386 25079 15 1 1 . 1 1 7 7 LEU N N 7 124.072 124.072 119.647 4.425 25079 16 1 1 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.263 0.005 25079 17 1 1 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.306 0.573 25079 18 1 1 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.553 0.335 25079 19 1 1 . 1 1 7 7 LEU H H 7 8.428 8.428 7.714 0.714 25079 20 1 1 . 1 1 8 8 LEU N N 8 118.780 118.780 119.047 -0.267 25079 21 1 1 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.003 0.381 25079 22 1 1 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.825 -0.017 25079 23 1 1 . 1 1 8 8 LEU CB C 8 42.968 42.968 40.426 2.542 25079 24 1 1 . 1 1 8 8 LEU H H 8 7.911 7.911 7.631 0.280 25079 25 1 1 . 1 1 9 9 THR N N 9 114.528 114.528 116.215 -1.687 25079 26 1 1 . 1 1 9 9 THR CA C 9 59.552 59.552 60.981 -1.429 25079 27 1 1 . 1 1 9 9 THR CB C 9 69.588 69.588 69.516 0.072 25079 28 1 1 . 1 1 9 9 THR H H 9 8.030 8.030 8.037 -0.007 25079 29 1 1 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.320 0.049 25079 30 1 1 . 1 1 10 10 PRO CA C 10 64.206 64.206 65.090 -0.883 25079 31 1 1 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.653 0.274 25079 32 1 1 . 1 1 11 11 SER N N 11 113.430 113.430 112.466 0.964 25079 33 1 1 . 1 1 11 11 SER HA H 11 4.293 4.293 4.313 -0.020 25079 34 1 1 . 1 1 11 11 SER CA C 11 59.677 59.677 60.128 -0.451 25079 35 1 1 . 1 1 11 11 SER CB C 11 63.851 63.851 62.699 1.152 25079 36 1 1 . 1 1 11 11 SER H H 11 8.217 8.217 7.895 0.322 25079 37 1 1 . 1 1 12 12 ASP N N 12 120.212 120.212 120.813 -0.601 25079 38 1 1 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.791 -0.165 25079 39 1 1 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.302 1.407 25079 40 1 1 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.294 -0.841 25079 41 1 1 . 1 1 12 12 ASP H H 12 8.122 8.122 7.722 0.400 25079 42 1 1 . 1 1 13 13 LEU N N 13 120.144 120.144 123.293 -3.149 25079 43 1 1 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.250 0.086 25079 44 1 1 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.633 -1.045 25079 45 1 1 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.167 2.131 25079 46 1 1 . 1 1 13 13 LEU H H 13 7.719 7.719 7.658 0.061 25079 47 1 1 . 1 1 14 14 ASP N N 14 123.659 123.659 125.730 -2.071 25079 48 1 1 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.819 1.719 25079 49 1 1 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.323 0.848 25079 50 1 1 . 1 1 14 14 ASP H H 14 8.289 8.289 8.466 -0.177 25079 51 1 1 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.408 -0.156 25079 52 1 1 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.717 0.814 25079 53 1 1 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.937 0.387 25079 54 1 1 . 1 1 16 16 LEU N N 16 120.965 120.965 118.576 2.389 25079 55 1 1 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.172 0.003 25079 56 1 1 . 1 1 16 16 LEU CA C 16 58.452 58.452 56.664 1.788 25079 57 1 1 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.074 0.261 25079 58 1 1 . 1 1 16 16 LEU H H 16 8.639 8.639 7.932 0.707 25079 59 1 1 . 1 1 17 17 ILE N N 17 118.865 118.865 118.746 0.119 25079 60 1 1 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.638 0.068 25079 61 1 1 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.584 -0.251 25079 62 1 1 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.214 -0.506 25079 63 1 1 . 1 1 17 17 ILE H H 17 7.831 7.831 7.663 0.168 25079 64 1 1 . 1 1 18 18 LEU N N 18 121.654 121.654 120.949 0.705 25079 65 1 1 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.911 0.092 25079 66 1 1 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.554 0.115 25079 67 1 1 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.589 0.139 25079 68 1 1 . 1 1 18 18 LEU H H 18 8.229 8.229 7.900 0.329 25079 69 1 1 . 1 1 19 19 THR N N 19 115.361 115.361 115.816 -0.455 25079 70 1 1 . 1 1 19 19 THR HA H 19 4.252 4.252 3.973 0.279 25079 71 1 1 . 1 1 19 19 THR CA C 19 68.380 68.380 67.506 0.874 25079 72 1 1 . 1 1 19 19 THR CB C 19 67.094 67.094 68.588 -1.494 25079 73 1 1 . 1 1 19 19 THR H H 19 7.951 7.951 7.962 -0.011 25079 74 1 1 . 1 1 20 20 LEU N N 20 119.190 119.190 121.016 -1.826 25079 75 1 1 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.122 -0.160 25079 76 1 1 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.432 0.881 25079 77 1 1 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.818 -0.010 25079 78 1 1 . 1 1 20 20 LEU H H 20 8.334 8.334 7.515 0.819 25079 79 1 1 . 1 1 21 21 SER N N 21 114.597 114.597 115.559 -0.962 25079 80 1 1 . 1 1 21 21 SER HA H 21 4.027 4.027 4.214 -0.187 25079 81 1 1 . 1 1 21 21 SER CA C 21 63.605 63.605 61.621 1.984 25079 82 1 1 . 1 1 21 21 SER CB C 21 63.022 63.022 63.129 -0.107 25079 83 1 1 . 1 1 21 21 SER H H 21 8.195 8.195 8.420 -0.225 25079 84 1 1 . 1 1 22 22 LEU N N 22 120.987 120.987 123.207 -2.220 25079 85 1 1 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.971 0.025 25079 86 1 1 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.317 -0.183 25079 87 1 1 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.046 -0.444 25079 88 1 1 . 1 1 22 22 LEU H H 22 7.881 7.881 8.190 -0.309 25079 89 1 1 . 1 1 23 23 ILE N N 23 118.022 118.022 115.890 2.132 25079 90 1 1 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.734 -0.254 25079 91 1 1 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.623 1.145 25079 92 1 1 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.389 -0.126 25079 93 1 1 . 1 1 23 23 ILE H H 23 7.987 7.987 7.612 0.375 25079 94 1 1 . 1 1 24 24 LEU N N 24 118.701 118.701 121.860 -3.159 25079 95 1 1 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.111 -0.186 25079 96 1 1 . 1 1 24 24 LEU CA C 24 58.586 58.586 57.898 0.688 25079 97 1 1 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.763 0.858 25079 98 1 1 . 1 1 24 24 LEU H H 24 8.174 8.174 7.543 0.631 25079 99 1 1 . 1 1 25 25 VAL N N 25 117.708 117.708 119.163 -1.455 25079 100 1 1 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.731 0.696 25079 101 1 1 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.056 1.652 25079 102 1 1 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.023 0.516 25079 103 1 1 . 1 1 25 25 VAL H H 25 8.118 8.118 8.445 -0.327 25079 104 1 1 . 1 1 26 26 VAL N N 26 118.872 118.872 120.671 -1.799 25079 105 1 1 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.562 -0.189 25079 106 1 1 . 1 1 26 26 VAL CA C 26 67.852 67.852 67.202 0.650 25079 107 1 1 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.688 -0.718 25079 108 1 1 . 1 1 26 26 VAL H H 26 8.140 8.140 7.828 0.312 25079 109 1 1 . 1 1 27 27 ILE N N 27 118.715 118.715 117.224 1.491 25079 110 1 1 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.724 -0.197 25079 111 1 1 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.771 1.151 25079 112 1 1 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.401 -0.074 25079 113 1 1 . 1 1 27 27 ILE H H 27 8.336 8.336 7.600 0.736 25079 114 1 1 . 1 1 28 28 LEU N N 28 119.343 119.343 121.918 -2.575 25079 115 1 1 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.964 0.017 25079 116 1 1 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.131 0.495 25079 117 1 1 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.596 0.819 25079 118 1 1 . 1 1 28 28 LEU H H 28 8.494 8.494 7.730 0.764 25079 119 1 1 . 1 1 29 29 VAL N N 29 121.451 121.451 118.530 2.921 25079 120 1 1 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.670 -0.206 25079 121 1 1 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.741 0.941 25079 122 1 1 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.209 -0.037 25079 123 1 1 . 1 1 29 29 VAL H H 29 8.696 8.696 7.914 0.782 25079 124 1 1 . 1 1 30 30 LEU N N 30 119.811 119.811 120.024 -0.213 25079 125 1 1 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.907 -0.006 25079 126 1 1 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.881 0.902 25079 127 1 1 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.690 -0.175 25079 128 1 1 . 1 1 30 30 LEU H H 30 8.534 8.534 7.696 0.838 25079 129 1 1 . 1 1 31 31 LEU N N 31 117.365 117.365 119.214 -1.849 25079 130 1 1 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.030 -0.084 25079 131 1 1 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.143 0.300 25079 132 1 1 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.761 1.040 25079 133 1 1 . 1 1 31 31 LEU H H 31 8.770 8.770 8.284 0.486 25079 134 1 1 . 1 1 32 32 THR N N 32 116.494 116.494 113.314 3.180 25079 135 1 1 . 1 1 32 32 THR HA H 32 4.311 4.311 3.909 0.402 25079 136 1 1 . 1 1 32 32 THR CA C 32 68.534 68.534 66.581 1.954 25079 137 1 1 . 1 1 32 32 THR CB C 32 67.727 67.727 68.716 -0.989 25079 138 1 1 . 1 1 32 32 THR H H 32 8.016 8.016 7.716 0.300 25079 139 1 1 . 1 1 33 33 VAL N N 33 120.644 120.644 122.755 -2.111 25079 140 1 1 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.614 -0.115 25079 141 1 1 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.482 1.123 25079 142 1 1 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.598 -0.130 25079 143 1 1 . 1 1 33 33 VAL H H 33 8.430 8.430 7.851 0.579 25079 144 1 1 . 1 1 34 34 LEU N N 34 118.815 118.815 120.260 -1.445 25079 145 1 1 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.971 0.023 25079 146 1 1 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.080 0.353 25079 147 1 1 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.108 0.435 25079 148 1 1 . 1 1 34 34 LEU H H 34 8.424 8.424 7.553 0.871 25079 149 1 1 . 1 1 35 35 ALA N N 35 122.308 122.308 122.265 0.043 25079 150 1 1 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.057 -0.064 25079 151 1 1 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.295 0.409 25079 152 1 1 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.134 0.312 25079 153 1 1 . 1 1 35 35 ALA H H 35 8.646 8.646 7.994 0.652 25079 154 1 1 . 1 1 36 36 LEU N N 36 118.240 118.240 120.283 -2.043 25079 155 1 1 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.953 0.105 25079 156 1 1 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.718 0.360 25079 157 1 1 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.074 -0.044 25079 158 1 1 . 1 1 36 36 LEU H H 36 8.442 8.442 8.243 0.199 25079 159 1 1 . 1 1 37 37 LEU N N 37 117.383 117.383 119.222 -1.839 25079 160 1 1 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.880 0.208 25079 161 1 1 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.378 -0.712 25079 162 1 1 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.665 0.438 25079 163 1 1 . 1 1 37 37 LEU H H 37 8.499 8.499 8.164 0.335 25079 164 1 1 . 1 1 38 38 SER N N 38 113.837 113.837 114.816 -0.979 25079 165 1 1 . 1 1 38 38 SER HA H 38 4.235 4.235 4.001 0.234 25079 166 1 1 . 1 1 38 38 SER CA C 38 61.318 61.318 62.181 -0.863 25079 167 1 1 . 1 1 38 38 SER CB C 38 63.438 63.438 63.042 0.396 25079 168 1 1 . 1 1 38 38 SER H H 38 8.155 8.155 8.206 -0.051 25079 169 1 1 . 1 1 39 39 HIS N N 39 119.819 119.819 121.545 -1.726 25079 170 1 1 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.250 0.527 25079 171 1 1 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.679 -3.368 25079 172 1 1 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.616 1.177 25079 173 1 1 . 1 1 39 39 HIS H H 39 8.017 8.017 8.144 -0.127 25079 174 1 1 . 1 1 40 40 ARG N N 40 119.165 119.165 119.231 -0.066 25079 175 1 1 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.377 -0.608 25079 176 1 1 . 1 1 40 40 ARG H H 40 7.785 7.785 8.100 -0.315 25079 177 1 1 . 1 1 41 41 ARG N N 41 119.761 119.761 119.857 -0.096 25079 178 1 1 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.033 0.083 25079 179 1 1 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.008 -0.097 25079 180 1 1 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.720 -0.145 25079 181 1 1 . 1 1 41 41 ARG H H 41 8.358 8.358 8.231 0.127 25079 182 1 1 . 1 1 42 42 ALA N N 42 121.554 121.554 121.776 -0.222 25079 183 1 1 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.019 0.185 25079 184 1 1 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.159 -0.968 25079 185 1 1 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.328 0.201 25079 186 1 1 . 1 1 42 42 ALA H H 42 8.098 8.098 8.190 -0.092 25079 187 1 1 . 1 1 43 43 LEU N N 43 117.383 117.383 119.385 -2.002 25079 188 1 1 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.862 0.199 25079 189 1 1 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.992 -0.681 25079 190 1 1 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.914 0.571 25079 191 1 1 . 1 1 43 43 LEU H H 43 7.986 7.986 7.840 0.146 25079 192 1 1 . 1 1 44 44 LYS N N 44 118.908 118.908 118.459 0.449 25079 193 1 1 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.926 0.117 25079 194 1 1 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.767 0.135 25079 195 1 1 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.219 0.411 25079 196 1 1 . 1 1 44 44 LYS H H 44 8.258 8.258 8.281 -0.023 25079 197 1 1 . 1 1 45 45 GLN N N 45 115.858 115.858 118.992 -3.134 25079 198 1 1 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.363 -0.241 25079 199 1 1 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.381 -0.988 25079 200 1 1 . 1 1 45 45 GLN CB C 45 28.647 28.647 29.003 -0.356 25079 201 1 1 . 1 1 45 45 GLN H H 45 7.764 7.764 7.762 0.002 25079 202 1 1 . 1 1 46 46 LYS N N 46 117.155 117.155 117.654 -0.499 25079 203 1 1 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.130 0.047 25079 204 1 1 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.980 -1.847 25079 205 1 1 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.926 0.081 25079 206 1 1 . 1 1 46 46 LYS H H 46 7.620 7.620 8.065 -0.445 25079 207 1 1 . 1 1 47 47 ILE N N 47 116.662 116.662 116.520 0.142 25079 208 1 1 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.241 -0.494 25079 209 1 1 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.256 0.433 25079 210 1 1 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.829 -3.155 25079 211 1 1 . 1 1 47 47 ILE H H 47 7.570 7.570 7.645 -0.075 25079 212 1 1 . 1 1 48 48 TRP N N 48 118.880 118.880 122.406 -3.526 25079 213 1 1 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.042 -0.046 25079 214 1 1 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.756 0.837 25079 215 1 1 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.527 -2.734 25079 216 1 1 . 1 1 48 48 TRP H H 48 8.001 8.001 8.327 -0.326 25079 217 1 2 . 1 1 2 2 SER CB C 2 63.463 63.463 63.971 -0.508 25079 218 1 2 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.376 0.066 25079 219 1 2 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.170 0.182 25079 220 1 2 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.827 0.088 25079 221 1 2 . 1 1 5 5 VAL N N 5 119.530 119.530 120.410 -0.880 25079 222 1 2 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.286 -0.221 25079 223 1 2 . 1 1 5 5 VAL CA C 5 62.546 62.546 61.673 0.873 25079 224 1 2 . 1 1 5 5 VAL CB C 5 32.452 32.452 30.743 1.709 25079 225 1 2 . 1 1 5 5 VAL H H 5 8.193 8.193 7.942 0.251 25079 226 1 2 . 1 1 6 6 SER N N 6 118.536 118.536 117.294 1.242 25079 227 1 2 . 1 1 6 6 SER HA H 6 4.474 4.474 4.104 0.370 25079 228 1 2 . 1 1 6 6 SER CA C 6 58.259 58.259 59.169 -0.910 25079 229 1 2 . 1 1 6 6 SER CB C 6 64.180 64.180 62.692 1.488 25079 230 1 2 . 1 1 6 6 SER H H 6 8.246 8.246 8.682 -0.436 25079 231 1 2 . 1 1 7 7 LEU N N 7 124.072 124.072 120.154 3.918 25079 232 1 2 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.141 0.127 25079 233 1 2 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.821 -0.942 25079 234 1 2 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.290 0.598 25079 235 1 2 . 1 1 7 7 LEU H H 7 8.428 8.428 8.069 0.359 25079 236 1 2 . 1 1 8 8 LEU N N 8 118.780 118.780 117.479 1.301 25079 237 1 2 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.789 -0.405 25079 238 1 2 . 1 1 8 8 LEU CA C 8 54.808 54.808 53.826 0.982 25079 239 1 2 . 1 1 8 8 LEU CB C 8 42.968 42.968 43.054 -0.086 25079 240 1 2 . 1 1 8 8 LEU H H 8 7.911 7.911 7.614 0.297 25079 241 1 2 . 1 1 9 9 THR N N 9 114.528 114.528 111.459 3.069 25079 242 1 2 . 1 1 9 9 THR CA C 9 59.552 59.552 58.288 1.264 25079 243 1 2 . 1 1 9 9 THR CB C 9 69.588 69.588 70.813 -1.225 25079 244 1 2 . 1 1 9 9 THR H H 9 8.030 8.030 8.070 -0.040 25079 245 1 2 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.362 0.007 25079 246 1 2 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.736 -0.530 25079 247 1 2 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.912 0.015 25079 248 1 2 . 1 1 11 11 SER N N 11 113.430 113.430 114.417 -0.987 25079 249 1 2 . 1 1 11 11 SER HA H 11 4.293 4.293 4.260 0.033 25079 250 1 2 . 1 1 11 11 SER CA C 11 59.677 59.677 60.398 -0.721 25079 251 1 2 . 1 1 11 11 SER CB C 11 63.851 63.851 62.877 0.974 25079 252 1 2 . 1 1 11 11 SER H H 11 8.217 8.217 8.022 0.195 25079 253 1 2 . 1 1 12 12 ASP N N 12 120.212 120.212 120.777 -0.565 25079 254 1 2 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.849 -0.223 25079 255 1 2 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.260 1.449 25079 256 1 2 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.813 -0.360 25079 257 1 2 . 1 1 12 12 ASP H H 12 8.122 8.122 7.590 0.532 25079 258 1 2 . 1 1 13 13 LEU N N 13 120.144 120.144 123.096 -2.952 25079 259 1 2 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.235 0.101 25079 260 1 2 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.944 -1.356 25079 261 1 2 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.387 1.911 25079 262 1 2 . 1 1 13 13 LEU H H 13 7.719 7.719 7.819 -0.100 25079 263 1 2 . 1 1 14 14 ASP N N 14 123.659 123.659 126.136 -2.477 25079 264 1 2 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.597 1.941 25079 265 1 2 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.028 1.143 25079 266 1 2 . 1 1 14 14 ASP H H 14 8.289 8.289 8.647 -0.358 25079 267 1 2 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.315 -0.063 25079 268 1 2 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.813 0.718 25079 269 1 2 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.852 0.472 25079 270 1 2 . 1 1 16 16 LEU N N 16 120.965 120.965 116.667 4.298 25079 271 1 2 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.118 0.057 25079 272 1 2 . 1 1 16 16 LEU CA C 16 58.452 58.452 56.997 1.455 25079 273 1 2 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.565 -0.230 25079 274 1 2 . 1 1 16 16 LEU H H 16 8.639 8.639 7.914 0.725 25079 275 1 2 . 1 1 17 17 ILE N N 17 118.865 118.865 118.370 0.495 25079 276 1 2 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.611 0.095 25079 277 1 2 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.599 -0.266 25079 278 1 2 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.027 -0.319 25079 279 1 2 . 1 1 17 17 ILE H H 17 7.831 7.831 8.241 -0.410 25079 280 1 2 . 1 1 18 18 LEU N N 18 121.654 121.654 120.896 0.758 25079 281 1 2 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.919 0.084 25079 282 1 2 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.574 0.095 25079 283 1 2 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.678 0.050 25079 284 1 2 . 1 1 18 18 LEU H H 18 8.229 8.229 7.878 0.351 25079 285 1 2 . 1 1 19 19 THR N N 19 115.361 115.361 115.718 -0.357 25079 286 1 2 . 1 1 19 19 THR HA H 19 4.252 4.252 3.994 0.258 25079 287 1 2 . 1 1 19 19 THR CA C 19 68.380 68.380 67.128 1.252 25079 288 1 2 . 1 1 19 19 THR CB C 19 67.094 67.094 68.402 -1.308 25079 289 1 2 . 1 1 19 19 THR H H 19 7.951 7.951 8.435 -0.484 25079 290 1 2 . 1 1 20 20 LEU N N 20 119.190 119.190 121.918 -2.728 25079 291 1 2 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.208 -0.246 25079 292 1 2 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.411 0.902 25079 293 1 2 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.781 0.027 25079 294 1 2 . 1 1 20 20 LEU H H 20 8.334 8.334 7.518 0.816 25079 295 1 2 . 1 1 21 21 SER N N 21 114.597 114.597 115.627 -1.030 25079 296 1 2 . 1 1 21 21 SER HA H 21 4.027 4.027 4.170 -0.143 25079 297 1 2 . 1 1 21 21 SER CA C 21 63.605 63.605 62.008 1.597 25079 298 1 2 . 1 1 21 21 SER CB C 21 63.022 63.022 63.309 -0.287 25079 299 1 2 . 1 1 21 21 SER H H 21 8.195 8.195 8.572 -0.377 25079 300 1 2 . 1 1 22 22 LEU N N 22 120.987 120.987 123.469 -2.482 25079 301 1 2 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.005 -0.009 25079 302 1 2 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.128 0.006 25079 303 1 2 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.114 -0.512 25079 304 1 2 . 1 1 22 22 LEU H H 22 7.881 7.881 8.119 -0.238 25079 305 1 2 . 1 1 23 23 ILE N N 23 118.022 118.022 116.287 1.735 25079 306 1 2 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.688 -0.208 25079 307 1 2 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.454 1.314 25079 308 1 2 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.432 -0.169 25079 309 1 2 . 1 1 23 23 ILE H H 23 7.987 7.987 7.540 0.447 25079 310 1 2 . 1 1 24 24 LEU N N 24 118.701 118.701 121.895 -3.194 25079 311 1 2 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.141 -0.215 25079 312 1 2 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.143 0.443 25079 313 1 2 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.447 0.173 25079 314 1 2 . 1 1 24 24 LEU H H 24 8.174 8.174 7.684 0.490 25079 315 1 2 . 1 1 25 25 VAL N N 25 117.708 117.708 119.620 -1.912 25079 316 1 2 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.664 0.763 25079 317 1 2 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.805 0.903 25079 318 1 2 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.370 0.169 25079 319 1 2 . 1 1 25 25 VAL H H 25 8.118 8.118 8.343 -0.225 25079 320 1 2 . 1 1 26 26 VAL N N 26 118.872 118.872 120.344 -1.472 25079 321 1 2 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.564 -0.191 25079 322 1 2 . 1 1 26 26 VAL CA C 26 67.852 67.852 67.099 0.753 25079 323 1 2 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.639 -0.669 25079 324 1 2 . 1 1 26 26 VAL H H 26 8.140 8.140 7.822 0.318 25079 325 1 2 . 1 1 27 27 ILE N N 27 118.715 118.715 117.353 1.362 25079 326 1 2 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.697 -0.170 25079 327 1 2 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.743 1.179 25079 328 1 2 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.316 0.011 25079 329 1 2 . 1 1 27 27 ILE H H 27 8.336 8.336 7.598 0.738 25079 330 1 2 . 1 1 28 28 LEU N N 28 119.343 119.343 121.782 -2.439 25079 331 1 2 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.960 0.021 25079 332 1 2 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.096 0.529 25079 333 1 2 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.785 0.630 25079 334 1 2 . 1 1 28 28 LEU H H 28 8.494 8.494 7.830 0.664 25079 335 1 2 . 1 1 29 29 VAL N N 29 121.451 121.451 118.251 3.200 25079 336 1 2 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.614 -0.150 25079 337 1 2 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.715 0.967 25079 338 1 2 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.769 -0.597 25079 339 1 2 . 1 1 29 29 VAL H H 29 8.696 8.696 7.776 0.920 25079 340 1 2 . 1 1 30 30 LEU N N 30 119.811 119.811 120.616 -0.805 25079 341 1 2 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.977 -0.076 25079 342 1 2 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.759 1.024 25079 343 1 2 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.939 -0.424 25079 344 1 2 . 1 1 30 30 LEU H H 30 8.534 8.534 7.730 0.804 25079 345 1 2 . 1 1 31 31 LEU N N 31 117.365 117.365 119.674 -2.309 25079 346 1 2 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.026 -0.080 25079 347 1 2 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.032 0.411 25079 348 1 2 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.359 0.443 25079 349 1 2 . 1 1 31 31 LEU H H 31 8.770 8.770 8.177 0.593 25079 350 1 2 . 1 1 32 32 THR N N 32 116.494 116.494 113.843 2.651 25079 351 1 2 . 1 1 32 32 THR HA H 32 4.311 4.311 3.885 0.426 25079 352 1 2 . 1 1 32 32 THR CA C 32 68.534 68.534 66.347 2.186 25079 353 1 2 . 1 1 32 32 THR CB C 32 67.727 67.727 68.493 -0.766 25079 354 1 2 . 1 1 32 32 THR H H 32 8.016 8.016 7.763 0.253 25079 355 1 2 . 1 1 33 33 VAL N N 33 120.644 120.644 122.068 -1.424 25079 356 1 2 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.648 -0.149 25079 357 1 2 . 1 1 33 33 VAL CA C 33 67.605 67.605 67.165 0.440 25079 358 1 2 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.227 0.241 25079 359 1 2 . 1 1 33 33 VAL H H 33 8.430 8.430 7.804 0.626 25079 360 1 2 . 1 1 34 34 LEU N N 34 118.815 118.815 120.368 -1.553 25079 361 1 2 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.863 0.131 25079 362 1 2 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.327 0.106 25079 363 1 2 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.468 0.075 25079 364 1 2 . 1 1 34 34 LEU H H 34 8.424 8.424 7.673 0.751 25079 365 1 2 . 1 1 35 35 ALA N N 35 122.308 122.308 122.084 0.224 25079 366 1 2 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.957 0.036 25079 367 1 2 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.211 0.493 25079 368 1 2 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.032 0.414 25079 369 1 2 . 1 1 35 35 ALA H H 35 8.646 8.646 7.995 0.651 25079 370 1 2 . 1 1 36 36 LEU N N 36 118.240 118.240 119.938 -1.698 25079 371 1 2 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.921 0.137 25079 372 1 2 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.917 0.161 25079 373 1 2 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.125 -0.095 25079 374 1 2 . 1 1 36 36 LEU H H 36 8.442 8.442 8.274 0.168 25079 375 1 2 . 1 1 37 37 LEU N N 37 117.383 117.383 119.184 -1.801 25079 376 1 2 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.946 0.142 25079 377 1 2 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.264 -0.598 25079 378 1 2 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.251 0.853 25079 379 1 2 . 1 1 37 37 LEU H H 37 8.499 8.499 8.519 -0.020 25079 380 1 2 . 1 1 38 38 SER N N 38 113.837 113.837 115.498 -1.661 25079 381 1 2 . 1 1 38 38 SER HA H 38 4.235 4.235 4.105 0.130 25079 382 1 2 . 1 1 38 38 SER CA C 38 61.318 61.318 61.938 -0.619 25079 383 1 2 . 1 1 38 38 SER CB C 38 63.438 63.438 62.984 0.453 25079 384 1 2 . 1 1 38 38 SER H H 38 8.155 8.155 8.508 -0.353 25079 385 1 2 . 1 1 39 39 HIS N N 39 119.819 119.819 122.386 -2.567 25079 386 1 2 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.329 0.448 25079 387 1 2 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.628 -2.317 25079 388 1 2 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.861 0.932 25079 389 1 2 . 1 1 39 39 HIS H H 39 8.017 8.017 8.223 -0.206 25079 390 1 2 . 1 1 40 40 ARG N N 40 119.165 119.165 119.379 -0.214 25079 391 1 2 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.813 -1.044 25079 392 1 2 . 1 1 40 40 ARG H H 40 7.785 7.785 8.318 -0.533 25079 393 1 2 . 1 1 41 41 ARG N N 41 119.761 119.761 119.731 0.030 25079 394 1 2 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.091 0.025 25079 395 1 2 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.130 -0.219 25079 396 1 2 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.046 -0.471 25079 397 1 2 . 1 1 41 41 ARG H H 41 8.358 8.358 8.094 0.264 25079 398 1 2 . 1 1 42 42 ALA N N 42 121.554 121.554 122.355 -0.801 25079 399 1 2 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.018 0.186 25079 400 1 2 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.016 -0.825 25079 401 1 2 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.360 0.169 25079 402 1 2 . 1 1 42 42 ALA H H 42 8.098 8.098 8.194 -0.096 25079 403 1 2 . 1 1 43 43 LEU N N 43 117.383 117.383 118.598 -1.215 25079 404 1 2 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.871 0.190 25079 405 1 2 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.720 -0.409 25079 406 1 2 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.952 0.533 25079 407 1 2 . 1 1 43 43 LEU H H 43 7.986 7.986 7.957 0.029 25079 408 1 2 . 1 1 44 44 LYS N N 44 118.908 118.908 118.252 0.656 25079 409 1 2 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.996 0.047 25079 410 1 2 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.707 0.195 25079 411 1 2 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.154 0.476 25079 412 1 2 . 1 1 44 44 LYS H H 44 8.258 8.258 7.951 0.307 25079 413 1 2 . 1 1 45 45 GLN N N 45 115.858 115.858 119.456 -3.598 25079 414 1 2 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.141 -0.019 25079 415 1 2 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.272 -0.879 25079 416 1 2 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.904 -0.257 25079 417 1 2 . 1 1 45 45 GLN H H 45 7.764 7.764 7.805 -0.041 25079 418 1 2 . 1 1 46 46 LYS N N 46 117.155 117.155 117.571 -0.416 25079 419 1 2 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.141 0.036 25079 420 1 2 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.726 -1.593 25079 421 1 2 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.888 0.119 25079 422 1 2 . 1 1 46 46 LYS H H 46 7.620 7.620 7.734 -0.114 25079 423 1 2 . 1 1 47 47 ILE N N 47 116.662 116.662 116.964 -0.302 25079 424 1 2 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.199 -0.452 25079 425 1 2 . 1 1 47 47 ILE CA C 47 62.689 62.689 61.947 0.742 25079 426 1 2 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.555 -2.881 25079 427 1 2 . 1 1 47 47 ILE H H 47 7.570 7.570 7.637 -0.067 25079 428 1 2 . 1 1 48 48 TRP N N 48 118.880 118.880 122.566 -3.686 25079 429 1 2 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.073 -0.077 25079 430 1 2 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.055 1.538 25079 431 1 2 . 1 1 48 48 TRP CB C 48 28.793 28.793 29.760 -0.967 25079 432 1 2 . 1 1 48 48 TRP H H 48 8.001 8.001 7.983 0.018 25079 433 1 3 . 1 1 2 2 SER CB C 2 63.463 63.463 63.602 -0.139 25079 434 1 3 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.366 0.076 25079 435 1 3 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.418 -0.066 25079 436 1 3 . 1 1 4 4 PRO CB C 4 31.915 31.915 30.597 1.318 25079 437 1 3 . 1 1 5 5 VAL N N 5 119.530 119.530 120.913 -1.383 25079 438 1 3 . 1 1 5 5 VAL HA H 5 4.065 4.065 3.595 0.470 25079 439 1 3 . 1 1 5 5 VAL CA C 5 62.546 62.546 66.476 -3.930 25079 440 1 3 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.340 1.112 25079 441 1 3 . 1 1 5 5 VAL H H 5 8.193 8.193 8.312 -0.119 25079 442 1 3 . 1 1 6 6 SER N N 6 118.536 118.536 113.399 5.137 25079 443 1 3 . 1 1 6 6 SER HA H 6 4.474 4.474 4.167 0.307 25079 444 1 3 . 1 1 6 6 SER CA C 6 58.259 58.259 60.706 -2.447 25079 445 1 3 . 1 1 6 6 SER CB C 6 64.180 64.180 63.010 1.170 25079 446 1 3 . 1 1 6 6 SER H H 6 8.246 8.246 8.486 -0.240 25079 447 1 3 . 1 1 7 7 LEU N N 7 124.072 124.072 120.438 3.634 25079 448 1 3 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.327 -0.059 25079 449 1 3 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.851 -0.972 25079 450 1 3 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.683 0.205 25079 451 1 3 . 1 1 7 7 LEU H H 7 8.428 8.428 7.162 1.266 25079 452 1 3 . 1 1 8 8 LEU N N 8 118.780 118.780 118.184 0.596 25079 453 1 3 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.353 0.031 25079 454 1 3 . 1 1 8 8 LEU CA C 8 54.808 54.808 55.677 -0.869 25079 455 1 3 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.766 0.202 25079 456 1 3 . 1 1 8 8 LEU H H 8 7.911 7.911 8.259 -0.348 25079 457 1 3 . 1 1 9 9 THR N N 9 114.528 114.528 109.693 4.835 25079 458 1 3 . 1 1 9 9 THR CA C 9 59.552 59.552 59.315 0.237 25079 459 1 3 . 1 1 9 9 THR CB C 9 69.588 69.588 69.136 0.452 25079 460 1 3 . 1 1 9 9 THR H H 9 8.030 8.030 7.920 0.110 25079 461 1 3 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.365 0.004 25079 462 1 3 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.725 -0.519 25079 463 1 3 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.760 0.167 25079 464 1 3 . 1 1 11 11 SER N N 11 113.430 113.430 111.402 2.028 25079 465 1 3 . 1 1 11 11 SER HA H 11 4.293 4.293 4.270 0.023 25079 466 1 3 . 1 1 11 11 SER CA C 11 59.677 59.677 60.065 -0.388 25079 467 1 3 . 1 1 11 11 SER CB C 11 63.851 63.851 62.854 0.997 25079 468 1 3 . 1 1 11 11 SER H H 11 8.217 8.217 8.375 -0.158 25079 469 1 3 . 1 1 12 12 ASP N N 12 120.212 120.212 119.732 0.480 25079 470 1 3 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.815 -0.189 25079 471 1 3 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.441 1.268 25079 472 1 3 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.577 -1.123 25079 473 1 3 . 1 1 12 12 ASP H H 12 8.122 8.122 7.805 0.317 25079 474 1 3 . 1 1 13 13 LEU N N 13 120.144 120.144 123.552 -3.408 25079 475 1 3 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.239 0.097 25079 476 1 3 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.572 -0.984 25079 477 1 3 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.332 1.966 25079 478 1 3 . 1 1 13 13 LEU H H 13 7.719 7.719 7.866 -0.147 25079 479 1 3 . 1 1 14 14 ASP N N 14 123.659 123.659 126.746 -3.087 25079 480 1 3 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.379 2.159 25079 481 1 3 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.550 1.621 25079 482 1 3 . 1 1 14 14 ASP H H 14 8.289 8.289 8.490 -0.201 25079 483 1 3 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.267 -0.015 25079 484 1 3 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.720 0.811 25079 485 1 3 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.914 0.410 25079 486 1 3 . 1 1 16 16 LEU N N 16 120.965 120.965 117.880 3.085 25079 487 1 3 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.105 0.070 25079 488 1 3 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.050 1.402 25079 489 1 3 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.245 0.090 25079 490 1 3 . 1 1 16 16 LEU H H 16 8.639 8.639 7.924 0.715 25079 491 1 3 . 1 1 17 17 ILE N N 17 118.865 118.865 121.196 -2.331 25079 492 1 3 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.700 0.006 25079 493 1 3 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.670 0.663 25079 494 1 3 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.042 -0.334 25079 495 1 3 . 1 1 17 17 ILE H H 17 7.831 7.831 8.229 -0.398 25079 496 1 3 . 1 1 18 18 LEU N N 18 121.654 121.654 120.516 1.138 25079 497 1 3 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.884 0.119 25079 498 1 3 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.422 0.247 25079 499 1 3 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.583 0.145 25079 500 1 3 . 1 1 18 18 LEU H H 18 8.229 8.229 7.716 0.513 25079 501 1 3 . 1 1 19 19 THR N N 19 115.361 115.361 115.291 0.070 25079 502 1 3 . 1 1 19 19 THR HA H 19 4.252 4.252 3.981 0.271 25079 503 1 3 . 1 1 19 19 THR CA C 19 68.380 68.380 66.745 1.635 25079 504 1 3 . 1 1 19 19 THR CB C 19 67.094 67.094 68.341 -1.248 25079 505 1 3 . 1 1 19 19 THR H H 19 7.951 7.951 8.174 -0.223 25079 506 1 3 . 1 1 20 20 LEU N N 20 119.190 119.190 121.453 -2.263 25079 507 1 3 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.112 -0.150 25079 508 1 3 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.494 0.819 25079 509 1 3 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.800 0.008 25079 510 1 3 . 1 1 20 20 LEU H H 20 8.334 8.334 7.773 0.561 25079 511 1 3 . 1 1 21 21 SER N N 21 114.597 114.597 115.635 -1.038 25079 512 1 3 . 1 1 21 21 SER HA H 21 4.027 4.027 4.160 -0.133 25079 513 1 3 . 1 1 21 21 SER CA C 21 63.605 63.605 61.428 2.177 25079 514 1 3 . 1 1 21 21 SER CB C 21 63.022 63.022 62.732 0.290 25079 515 1 3 . 1 1 21 21 SER H H 21 8.195 8.195 8.540 -0.345 25079 516 1 3 . 1 1 22 22 LEU N N 22 120.987 120.987 121.742 -0.755 25079 517 1 3 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.016 -0.020 25079 518 1 3 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.541 -0.407 25079 519 1 3 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.058 0.544 25079 520 1 3 . 1 1 22 22 LEU H H 22 7.881 7.881 8.194 -0.313 25079 521 1 3 . 1 1 23 23 ILE N N 23 118.022 118.022 116.595 1.427 25079 522 1 3 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.763 -0.283 25079 523 1 3 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.463 1.305 25079 524 1 3 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.473 -0.210 25079 525 1 3 . 1 1 23 23 ILE H H 23 7.987 7.987 7.194 0.793 25079 526 1 3 . 1 1 24 24 LEU N N 24 118.701 118.701 121.518 -2.817 25079 527 1 3 . 1 1 24 24 LEU HA H 24 3.925 3.925 3.933 -0.008 25079 528 1 3 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.166 0.419 25079 529 1 3 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.717 0.904 25079 530 1 3 . 1 1 24 24 LEU H H 24 8.174 8.174 8.440 -0.266 25079 531 1 3 . 1 1 25 25 VAL N N 25 117.708 117.708 118.270 -0.562 25079 532 1 3 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.489 0.938 25079 533 1 3 . 1 1 25 25 VAL CA C 25 67.708 67.708 67.015 0.693 25079 534 1 3 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.683 -0.145 25079 535 1 3 . 1 1 25 25 VAL H H 25 8.118 8.118 8.661 -0.543 25079 536 1 3 . 1 1 26 26 VAL N N 26 118.872 118.872 120.294 -1.422 25079 537 1 3 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.573 -0.200 25079 538 1 3 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.984 0.868 25079 539 1 3 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.293 -0.323 25079 540 1 3 . 1 1 26 26 VAL H H 26 8.140 8.140 7.347 0.793 25079 541 1 3 . 1 1 27 27 ILE N N 27 118.715 118.715 119.499 -0.784 25079 542 1 3 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.669 -0.142 25079 543 1 3 . 1 1 27 27 ILE CA C 27 65.922 65.922 65.505 0.417 25079 544 1 3 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.645 -0.318 25079 545 1 3 . 1 1 27 27 ILE H H 27 8.336 8.336 7.917 0.419 25079 546 1 3 . 1 1 28 28 LEU N N 28 119.343 119.343 120.952 -1.609 25079 547 1 3 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.937 0.044 25079 548 1 3 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.380 0.246 25079 549 1 3 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.781 0.634 25079 550 1 3 . 1 1 28 28 LEU H H 28 8.494 8.494 8.177 0.317 25079 551 1 3 . 1 1 29 29 VAL N N 29 121.451 121.451 118.025 3.426 25079 552 1 3 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.685 -0.221 25079 553 1 3 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.637 1.045 25079 554 1 3 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.179 -0.007 25079 555 1 3 . 1 1 29 29 VAL H H 29 8.696 8.696 8.390 0.306 25079 556 1 3 . 1 1 30 30 LEU N N 30 119.811 119.811 120.707 -0.896 25079 557 1 3 . 1 1 30 30 LEU HA H 30 3.901 3.901 4.001 -0.100 25079 558 1 3 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.830 0.953 25079 559 1 3 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.800 -0.285 25079 560 1 3 . 1 1 30 30 LEU H H 30 8.534 8.534 8.022 0.512 25079 561 1 3 . 1 1 31 31 LEU N N 31 117.365 117.365 119.891 -2.526 25079 562 1 3 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.038 -0.092 25079 563 1 3 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.119 0.324 25079 564 1 3 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.299 0.503 25079 565 1 3 . 1 1 31 31 LEU H H 31 8.770 8.770 8.521 0.249 25079 566 1 3 . 1 1 32 32 THR N N 32 116.494 116.494 113.617 2.877 25079 567 1 3 . 1 1 32 32 THR HA H 32 4.311 4.311 3.851 0.460 25079 568 1 3 . 1 1 32 32 THR CA C 32 68.534 68.534 66.457 2.077 25079 569 1 3 . 1 1 32 32 THR CB C 32 67.727 67.727 68.585 -0.858 25079 570 1 3 . 1 1 32 32 THR H H 32 8.016 8.016 7.745 0.271 25079 571 1 3 . 1 1 33 33 VAL N N 33 120.644 120.644 122.021 -1.377 25079 572 1 3 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.719 -0.220 25079 573 1 3 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.911 0.694 25079 574 1 3 . 1 1 33 33 VAL CB C 33 31.468 31.468 30.962 0.506 25079 575 1 3 . 1 1 33 33 VAL H H 33 8.430 8.430 7.726 0.704 25079 576 1 3 . 1 1 34 34 LEU N N 34 118.815 118.815 120.796 -1.981 25079 577 1 3 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.977 0.017 25079 578 1 3 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.038 0.395 25079 579 1 3 . 1 1 34 34 LEU CB C 34 41.543 41.543 40.984 0.559 25079 580 1 3 . 1 1 34 34 LEU H H 34 8.424 8.424 7.525 0.899 25079 581 1 3 . 1 1 35 35 ALA N N 35 122.308 122.308 123.182 -0.874 25079 582 1 3 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.140 -0.147 25079 583 1 3 . 1 1 35 35 ALA CA C 35 55.704 55.704 54.964 0.740 25079 584 1 3 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.532 -0.086 25079 585 1 3 . 1 1 35 35 ALA H H 35 8.646 8.646 8.145 0.501 25079 586 1 3 . 1 1 36 36 LEU N N 36 118.240 118.240 120.364 -2.124 25079 587 1 3 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.079 -0.021 25079 588 1 3 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.833 0.245 25079 589 1 3 . 1 1 36 36 LEU CB C 36 42.030 42.030 40.974 1.056 25079 590 1 3 . 1 1 36 36 LEU H H 36 8.442 8.442 8.395 0.047 25079 591 1 3 . 1 1 37 37 LEU N N 37 117.383 117.383 119.870 -2.487 25079 592 1 3 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.902 0.186 25079 593 1 3 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.767 -1.101 25079 594 1 3 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.325 0.778 25079 595 1 3 . 1 1 37 37 LEU H H 37 8.499 8.499 8.671 -0.172 25079 596 1 3 . 1 1 38 38 SER N N 38 113.837 113.837 114.831 -0.994 25079 597 1 3 . 1 1 38 38 SER HA H 38 4.235 4.235 4.125 0.110 25079 598 1 3 . 1 1 38 38 SER CA C 38 61.318 61.318 61.800 -0.482 25079 599 1 3 . 1 1 38 38 SER CB C 38 63.438 63.438 62.406 1.032 25079 600 1 3 . 1 1 38 38 SER H H 38 8.155 8.155 8.373 -0.218 25079 601 1 3 . 1 1 39 39 HIS N N 39 119.819 119.819 123.224 -3.405 25079 602 1 3 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.400 0.377 25079 603 1 3 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.996 -2.685 25079 604 1 3 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.199 0.594 25079 605 1 3 . 1 1 39 39 HIS H H 39 8.017 8.017 8.264 -0.247 25079 606 1 3 . 1 1 40 40 ARG N N 40 119.165 119.165 119.221 -0.056 25079 607 1 3 . 1 1 40 40 ARG CA C 40 58.769 58.769 58.730 0.039 25079 608 1 3 . 1 1 40 40 ARG H H 40 7.785 7.785 8.600 -0.815 25079 609 1 3 . 1 1 41 41 ARG N N 41 119.761 119.761 119.898 -0.137 25079 610 1 3 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.092 0.024 25079 611 1 3 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.330 -0.419 25079 612 1 3 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.058 -0.483 25079 613 1 3 . 1 1 41 41 ARG H H 41 8.358 8.358 7.885 0.473 25079 614 1 3 . 1 1 42 42 ALA N N 42 121.554 121.554 122.324 -0.770 25079 615 1 3 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.012 0.192 25079 616 1 3 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.015 -0.824 25079 617 1 3 . 1 1 42 42 ALA CB C 42 18.529 18.529 17.934 0.595 25079 618 1 3 . 1 1 42 42 ALA H H 42 8.098 8.098 7.759 0.339 25079 619 1 3 . 1 1 43 43 LEU N N 43 117.383 117.383 118.941 -1.558 25079 620 1 3 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.885 0.176 25079 621 1 3 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.892 -0.581 25079 622 1 3 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.948 0.537 25079 623 1 3 . 1 1 43 43 LEU H H 43 7.986 7.986 7.791 0.195 25079 624 1 3 . 1 1 44 44 LYS N N 44 118.908 118.908 118.322 0.586 25079 625 1 3 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.922 0.121 25079 626 1 3 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.904 -0.002 25079 627 1 3 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.183 0.447 25079 628 1 3 . 1 1 44 44 LYS H H 44 8.258 8.258 7.773 0.485 25079 629 1 3 . 1 1 45 45 GLN N N 45 115.858 115.858 119.818 -3.960 25079 630 1 3 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.403 -0.281 25079 631 1 3 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.312 -0.918 25079 632 1 3 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.855 -0.208 25079 633 1 3 . 1 1 45 45 GLN H H 45 7.764 7.764 7.922 -0.158 25079 634 1 3 . 1 1 46 46 LYS N N 46 117.155 117.155 117.717 -0.562 25079 635 1 3 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.125 0.052 25079 636 1 3 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.791 -1.658 25079 637 1 3 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.946 0.061 25079 638 1 3 . 1 1 46 46 LYS H H 46 7.620 7.620 8.029 -0.409 25079 639 1 3 . 1 1 47 47 ILE N N 47 116.662 116.662 116.736 -0.074 25079 640 1 3 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.234 -0.487 25079 641 1 3 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.252 0.437 25079 642 1 3 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.719 -3.045 25079 643 1 3 . 1 1 47 47 ILE H H 47 7.570 7.570 7.486 0.084 25079 644 1 3 . 1 1 48 48 TRP N N 48 118.880 118.880 122.568 -3.688 25079 645 1 3 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.084 -0.088 25079 646 1 3 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.691 0.901 25079 647 1 3 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.161 -2.368 25079 648 1 3 . 1 1 48 48 TRP H H 48 8.001 8.001 8.449 -0.448 25079 649 1 4 . 1 1 2 2 SER CB C 2 63.463 63.463 63.446 0.018 25079 650 1 4 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.394 0.048 25079 651 1 4 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.023 0.329 25079 652 1 4 . 1 1 4 4 PRO CB C 4 31.915 31.915 32.245 -0.330 25079 653 1 4 . 1 1 5 5 VAL N N 5 119.530 119.530 121.901 -2.371 25079 654 1 4 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.347 -0.282 25079 655 1 4 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.136 0.410 25079 656 1 4 . 1 1 5 5 VAL CB C 5 32.452 32.452 33.926 -1.474 25079 657 1 4 . 1 1 5 5 VAL H H 5 8.193 8.193 8.258 -0.065 25079 658 1 4 . 1 1 6 6 SER N N 6 118.536 118.536 122.649 -4.113 25079 659 1 4 . 1 1 6 6 SER HA H 6 4.474 4.474 4.235 0.239 25079 660 1 4 . 1 1 6 6 SER CA C 6 58.259 58.259 60.402 -2.143 25079 661 1 4 . 1 1 6 6 SER CB C 6 64.180 64.180 63.180 1.000 25079 662 1 4 . 1 1 6 6 SER H H 6 8.246 8.246 8.889 -0.643 25079 663 1 4 . 1 1 7 7 LEU N N 7 124.072 124.072 122.704 1.368 25079 664 1 4 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.186 0.082 25079 665 1 4 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.711 -0.831 25079 666 1 4 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.224 0.664 25079 667 1 4 . 1 1 7 7 LEU H H 7 8.428 8.428 7.661 0.767 25079 668 1 4 . 1 1 8 8 LEU N N 8 118.780 118.780 119.800 -1.020 25079 669 1 4 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.296 0.088 25079 670 1 4 . 1 1 8 8 LEU CA C 8 54.808 54.808 55.731 -0.923 25079 671 1 4 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.540 0.428 25079 672 1 4 . 1 1 8 8 LEU H H 8 7.911 7.911 7.383 0.528 25079 673 1 4 . 1 1 9 9 THR N N 9 114.528 114.528 117.937 -3.409 25079 674 1 4 . 1 1 9 9 THR CA C 9 59.552 59.552 59.565 -0.013 25079 675 1 4 . 1 1 9 9 THR CB C 9 69.588 69.588 69.289 0.299 25079 676 1 4 . 1 1 9 9 THR H H 9 8.030 8.030 8.130 -0.100 25079 677 1 4 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.324 0.045 25079 678 1 4 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.601 -0.395 25079 679 1 4 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.751 0.176 25079 680 1 4 . 1 1 11 11 SER N N 11 113.430 113.430 112.218 1.212 25079 681 1 4 . 1 1 11 11 SER HA H 11 4.293 4.293 4.285 0.008 25079 682 1 4 . 1 1 11 11 SER CA C 11 59.677 59.677 59.793 -0.116 25079 683 1 4 . 1 1 11 11 SER CB C 11 63.851 63.851 62.712 1.139 25079 684 1 4 . 1 1 11 11 SER H H 11 8.217 8.217 8.326 -0.109 25079 685 1 4 . 1 1 12 12 ASP N N 12 120.212 120.212 120.264 -0.052 25079 686 1 4 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.831 -0.205 25079 687 1 4 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.576 1.133 25079 688 1 4 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.113 -0.660 25079 689 1 4 . 1 1 12 12 ASP H H 12 8.122 8.122 7.707 0.415 25079 690 1 4 . 1 1 13 13 LEU N N 13 120.144 120.144 123.013 -2.869 25079 691 1 4 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.259 0.077 25079 692 1 4 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.679 -1.091 25079 693 1 4 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.250 2.048 25079 694 1 4 . 1 1 13 13 LEU H H 13 7.719 7.719 7.738 -0.019 25079 695 1 4 . 1 1 14 14 ASP N N 14 123.659 123.659 125.363 -1.704 25079 696 1 4 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.703 1.835 25079 697 1 4 . 1 1 14 14 ASP CB C 14 43.171 43.171 43.019 0.152 25079 698 1 4 . 1 1 14 14 ASP H H 14 8.289 8.289 8.421 -0.132 25079 699 1 4 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.349 -0.097 25079 700 1 4 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.066 0.466 25079 701 1 4 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.058 0.266 25079 702 1 4 . 1 1 16 16 LEU N N 16 120.965 120.965 119.521 1.444 25079 703 1 4 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.103 0.072 25079 704 1 4 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.624 0.828 25079 705 1 4 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.663 -0.328 25079 706 1 4 . 1 1 16 16 LEU H H 16 8.639 8.639 7.784 0.855 25079 707 1 4 . 1 1 17 17 ILE N N 17 118.865 118.865 119.075 -0.210 25079 708 1 4 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.720 -0.014 25079 709 1 4 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.796 -0.463 25079 710 1 4 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.652 -0.944 25079 711 1 4 . 1 1 17 17 ILE H H 17 7.831 7.831 7.725 0.106 25079 712 1 4 . 1 1 18 18 LEU N N 18 121.654 121.654 120.910 0.744 25079 713 1 4 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.906 0.097 25079 714 1 4 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.783 -0.114 25079 715 1 4 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.629 0.099 25079 716 1 4 . 1 1 18 18 LEU H H 18 8.229 8.229 7.845 0.384 25079 717 1 4 . 1 1 19 19 THR N N 19 115.361 115.361 115.700 -0.339 25079 718 1 4 . 1 1 19 19 THR HA H 19 4.252 4.252 4.008 0.244 25079 719 1 4 . 1 1 19 19 THR CA C 19 68.380 68.380 67.373 1.007 25079 720 1 4 . 1 1 19 19 THR CB C 19 67.094 67.094 68.425 -1.331 25079 721 1 4 . 1 1 19 19 THR H H 19 7.951 7.951 7.652 0.299 25079 722 1 4 . 1 1 20 20 LEU N N 20 119.190 119.190 120.939 -1.749 25079 723 1 4 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.195 -0.233 25079 724 1 4 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.579 0.734 25079 725 1 4 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.690 0.118 25079 726 1 4 . 1 1 20 20 LEU H H 20 8.334 8.334 7.485 0.849 25079 727 1 4 . 1 1 21 21 SER N N 21 114.597 114.597 116.212 -1.615 25079 728 1 4 . 1 1 21 21 SER HA H 21 4.027 4.027 4.230 -0.203 25079 729 1 4 . 1 1 21 21 SER CA C 21 63.605 63.605 61.813 1.792 25079 730 1 4 . 1 1 21 21 SER CB C 21 63.022 63.022 63.135 -0.113 25079 731 1 4 . 1 1 21 21 SER H H 21 8.195 8.195 8.412 -0.217 25079 732 1 4 . 1 1 22 22 LEU N N 22 120.987 120.987 123.158 -2.171 25079 733 1 4 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.047 -0.051 25079 734 1 4 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.120 0.014 25079 735 1 4 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.342 0.260 25079 736 1 4 . 1 1 22 22 LEU H H 22 7.881 7.881 8.302 -0.421 25079 737 1 4 . 1 1 23 23 ILE N N 23 118.022 118.022 115.775 2.247 25079 738 1 4 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.718 -0.238 25079 739 1 4 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.613 1.155 25079 740 1 4 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.392 -0.129 25079 741 1 4 . 1 1 23 23 ILE H H 23 7.987 7.987 7.566 0.421 25079 742 1 4 . 1 1 24 24 LEU N N 24 118.701 118.701 122.163 -3.462 25079 743 1 4 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.107 -0.182 25079 744 1 4 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.157 0.429 25079 745 1 4 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.434 0.187 25079 746 1 4 . 1 1 24 24 LEU H H 24 8.174 8.174 7.613 0.561 25079 747 1 4 . 1 1 25 25 VAL N N 25 117.708 117.708 119.421 -1.713 25079 748 1 4 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.697 0.730 25079 749 1 4 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.361 1.347 25079 750 1 4 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.872 0.667 25079 751 1 4 . 1 1 25 25 VAL H H 25 8.118 8.118 8.564 -0.446 25079 752 1 4 . 1 1 26 26 VAL N N 26 118.872 118.872 120.540 -1.668 25079 753 1 4 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.686 -0.313 25079 754 1 4 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.936 0.916 25079 755 1 4 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.466 -0.496 25079 756 1 4 . 1 1 26 26 VAL H H 26 8.140 8.140 7.721 0.419 25079 757 1 4 . 1 1 27 27 ILE N N 27 118.715 118.715 119.998 -1.283 25079 758 1 4 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.803 -0.276 25079 759 1 4 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.199 1.723 25079 760 1 4 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.616 -0.289 25079 761 1 4 . 1 1 27 27 ILE H H 27 8.336 8.336 7.527 0.809 25079 762 1 4 . 1 1 28 28 LEU N N 28 119.343 119.343 121.891 -2.548 25079 763 1 4 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.980 0.001 25079 764 1 4 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.394 0.232 25079 765 1 4 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.610 0.805 25079 766 1 4 . 1 1 28 28 LEU H H 28 8.494 8.494 7.758 0.736 25079 767 1 4 . 1 1 29 29 VAL N N 29 121.451 121.451 118.535 2.916 25079 768 1 4 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.675 -0.211 25079 769 1 4 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.865 0.817 25079 770 1 4 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.284 -0.112 25079 771 1 4 . 1 1 29 29 VAL H H 29 8.696 8.696 7.715 0.981 25079 772 1 4 . 1 1 30 30 LEU N N 30 119.811 119.811 119.915 -0.104 25079 773 1 4 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.886 0.015 25079 774 1 4 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.537 1.246 25079 775 1 4 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.662 -0.147 25079 776 1 4 . 1 1 30 30 LEU H H 30 8.534 8.534 7.452 1.082 25079 777 1 4 . 1 1 31 31 LEU N N 31 117.365 117.365 119.837 -2.472 25079 778 1 4 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.036 -0.090 25079 779 1 4 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.296 0.147 25079 780 1 4 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.751 1.051 25079 781 1 4 . 1 1 31 31 LEU H H 31 8.770 8.770 8.197 0.573 25079 782 1 4 . 1 1 32 32 THR N N 32 116.494 116.494 113.989 2.505 25079 783 1 4 . 1 1 32 32 THR HA H 32 4.311 4.311 3.974 0.337 25079 784 1 4 . 1 1 32 32 THR CA C 32 68.534 68.534 66.172 2.362 25079 785 1 4 . 1 1 32 32 THR CB C 32 67.727 67.727 68.322 -0.595 25079 786 1 4 . 1 1 32 32 THR H H 32 8.016 8.016 7.793 0.223 25079 787 1 4 . 1 1 33 33 VAL N N 33 120.644 120.644 122.842 -2.198 25079 788 1 4 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.735 -0.236 25079 789 1 4 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.526 1.079 25079 790 1 4 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.001 0.467 25079 791 1 4 . 1 1 33 33 VAL H H 33 8.430 8.430 7.768 0.662 25079 792 1 4 . 1 1 34 34 LEU N N 34 118.815 118.815 120.763 -1.948 25079 793 1 4 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.935 0.059 25079 794 1 4 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.331 0.102 25079 795 1 4 . 1 1 34 34 LEU CB C 34 41.543 41.543 40.995 0.548 25079 796 1 4 . 1 1 34 34 LEU H H 34 8.424 8.424 7.692 0.732 25079 797 1 4 . 1 1 35 35 ALA N N 35 122.308 122.308 122.209 0.099 25079 798 1 4 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.001 -0.008 25079 799 1 4 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.306 0.398 25079 800 1 4 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.249 0.197 25079 801 1 4 . 1 1 35 35 ALA H H 35 8.646 8.646 7.777 0.869 25079 802 1 4 . 1 1 36 36 LEU N N 36 118.240 118.240 120.372 -2.132 25079 803 1 4 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.038 0.020 25079 804 1 4 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.671 -0.593 25079 805 1 4 . 1 1 36 36 LEU CB C 36 42.030 42.030 41.987 0.043 25079 806 1 4 . 1 1 36 36 LEU H H 36 8.442 8.442 8.301 0.141 25079 807 1 4 . 1 1 37 37 LEU N N 37 117.383 117.383 119.251 -1.868 25079 808 1 4 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.888 0.200 25079 809 1 4 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.335 -0.669 25079 810 1 4 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.651 0.452 25079 811 1 4 . 1 1 37 37 LEU H H 37 8.499 8.499 8.410 0.089 25079 812 1 4 . 1 1 38 38 SER N N 38 113.837 113.837 115.230 -1.393 25079 813 1 4 . 1 1 38 38 SER HA H 38 4.235 4.235 4.005 0.230 25079 814 1 4 . 1 1 38 38 SER CA C 38 61.318 61.318 62.212 -0.894 25079 815 1 4 . 1 1 38 38 SER CB C 38 63.438 63.438 62.968 0.470 25079 816 1 4 . 1 1 38 38 SER H H 38 8.155 8.155 8.333 -0.178 25079 817 1 4 . 1 1 39 39 HIS N N 39 119.819 119.819 121.540 -1.721 25079 818 1 4 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.304 0.473 25079 819 1 4 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.087 -2.776 25079 820 1 4 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.052 0.741 25079 821 1 4 . 1 1 39 39 HIS H H 39 8.017 8.017 8.421 -0.404 25079 822 1 4 . 1 1 40 40 ARG N N 40 119.165 119.165 119.591 -0.426 25079 823 1 4 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.856 -1.087 25079 824 1 4 . 1 1 40 40 ARG H H 40 7.785 7.785 8.517 -0.732 25079 825 1 4 . 1 1 41 41 ARG N N 41 119.761 119.761 119.644 0.117 25079 826 1 4 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.050 0.066 25079 827 1 4 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.254 -0.343 25079 828 1 4 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.059 -0.484 25079 829 1 4 . 1 1 41 41 ARG H H 41 8.358 8.358 8.060 0.298 25079 830 1 4 . 1 1 42 42 ALA N N 42 121.554 121.554 121.851 -0.297 25079 831 1 4 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.038 0.166 25079 832 1 4 . 1 1 42 42 ALA CA C 42 54.191 54.191 54.943 -0.752 25079 833 1 4 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.146 0.383 25079 834 1 4 . 1 1 42 42 ALA H H 42 8.098 8.098 7.840 0.258 25079 835 1 4 . 1 1 43 43 LEU N N 43 117.383 117.383 119.670 -2.287 25079 836 1 4 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.065 -0.004 25079 837 1 4 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.989 -0.678 25079 838 1 4 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.879 0.606 25079 839 1 4 . 1 1 43 43 LEU H H 43 7.986 7.986 7.992 -0.006 25079 840 1 4 . 1 1 44 44 LYS N N 44 118.908 118.908 118.856 0.052 25079 841 1 4 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.893 0.150 25079 842 1 4 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.460 0.442 25079 843 1 4 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.204 0.426 25079 844 1 4 . 1 1 44 44 LYS H H 44 8.258 8.258 8.064 0.194 25079 845 1 4 . 1 1 45 45 GLN N N 45 115.858 115.858 118.859 -3.001 25079 846 1 4 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.300 -0.178 25079 847 1 4 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.575 -1.182 25079 848 1 4 . 1 1 45 45 GLN CB C 45 28.647 28.647 29.171 -0.524 25079 849 1 4 . 1 1 45 45 GLN H H 45 7.764 7.764 7.760 0.004 25079 850 1 4 . 1 1 46 46 LYS N N 46 117.155 117.155 117.918 -0.763 25079 851 1 4 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.161 0.016 25079 852 1 4 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.259 -1.126 25079 853 1 4 . 1 1 46 46 LYS CB C 46 33.007 33.007 31.957 1.050 25079 854 1 4 . 1 1 46 46 LYS H H 46 7.620 7.620 7.792 -0.172 25079 855 1 4 . 1 1 47 47 ILE N N 47 116.662 116.662 117.515 -0.853 25079 856 1 4 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.231 -0.484 25079 857 1 4 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.895 -0.206 25079 858 1 4 . 1 1 47 47 ILE CB C 47 38.674 38.674 40.220 -1.546 25079 859 1 4 . 1 1 47 47 ILE H H 47 7.570 7.570 8.068 -0.498 25079 860 1 4 . 1 1 48 48 TRP N N 48 118.880 118.880 120.975 -2.095 25079 861 1 4 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.044 -0.048 25079 862 1 4 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.581 1.012 25079 863 1 4 . 1 1 48 48 TRP CB C 48 28.793 28.793 32.138 -3.345 25079 864 1 4 . 1 1 48 48 TRP H H 48 8.001 8.001 8.014 -0.013 25079 865 1 5 . 1 1 2 2 SER CB C 2 63.463 63.463 63.630 -0.167 25079 866 1 5 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.385 0.057 25079 867 1 5 . 1 1 4 4 PRO CA C 4 63.352 63.352 62.591 0.761 25079 868 1 5 . 1 1 4 4 PRO CB C 4 31.915 31.915 32.171 -0.256 25079 869 1 5 . 1 1 5 5 VAL N N 5 119.530 119.530 124.761 -5.231 25079 870 1 5 . 1 1 5 5 VAL HA H 5 4.065 4.065 3.811 0.254 25079 871 1 5 . 1 1 5 5 VAL CA C 5 62.546 62.546 64.376 -1.830 25079 872 1 5 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.636 0.816 25079 873 1 5 . 1 1 5 5 VAL H H 5 8.193 8.193 8.573 -0.380 25079 874 1 5 . 1 1 6 6 SER N N 6 118.536 118.536 112.591 5.945 25079 875 1 5 . 1 1 6 6 SER HA H 6 4.474 4.474 4.345 0.129 25079 876 1 5 . 1 1 6 6 SER CA C 6 58.259 58.259 58.850 -0.591 25079 877 1 5 . 1 1 6 6 SER CB C 6 64.180 64.180 63.559 0.621 25079 878 1 5 . 1 1 6 6 SER H H 6 8.246 8.246 7.912 0.334 25079 879 1 5 . 1 1 7 7 LEU N N 7 124.072 124.072 123.083 0.989 25079 880 1 5 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.442 -0.174 25079 881 1 5 . 1 1 7 7 LEU CA C 7 55.879 55.879 54.595 1.284 25079 882 1 5 . 1 1 7 7 LEU CB C 7 42.888 42.888 43.487 -0.599 25079 883 1 5 . 1 1 7 7 LEU H H 7 8.428 8.428 7.574 0.854 25079 884 1 5 . 1 1 8 8 LEU N N 8 118.780 118.780 120.698 -1.918 25079 885 1 5 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.882 -0.498 25079 886 1 5 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.453 0.355 25079 887 1 5 . 1 1 8 8 LEU CB C 8 42.968 42.968 43.774 -0.806 25079 888 1 5 . 1 1 8 8 LEU H H 8 7.911 7.911 8.305 -0.394 25079 889 1 5 . 1 1 9 9 THR N N 9 114.528 114.528 112.145 2.383 25079 890 1 5 . 1 1 9 9 THR CA C 9 59.552 59.552 59.600 -0.048 25079 891 1 5 . 1 1 9 9 THR CB C 9 69.588 69.588 68.811 0.777 25079 892 1 5 . 1 1 9 9 THR H H 9 8.030 8.030 8.246 -0.216 25079 893 1 5 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.480 -0.111 25079 894 1 5 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.053 0.153 25079 895 1 5 . 1 1 10 10 PRO CB C 10 31.927 31.927 32.152 -0.225 25079 896 1 5 . 1 1 11 11 SER N N 11 113.430 113.430 113.583 -0.153 25079 897 1 5 . 1 1 11 11 SER HA H 11 4.293 4.293 4.321 -0.028 25079 898 1 5 . 1 1 11 11 SER CA C 11 59.677 59.677 59.550 0.127 25079 899 1 5 . 1 1 11 11 SER CB C 11 63.851 63.851 62.774 1.077 25079 900 1 5 . 1 1 11 11 SER H H 11 8.217 8.217 8.313 -0.096 25079 901 1 5 . 1 1 12 12 ASP N N 12 120.212 120.212 120.928 -0.716 25079 902 1 5 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.789 -0.163 25079 903 1 5 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.423 1.286 25079 904 1 5 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.561 -0.108 25079 905 1 5 . 1 1 12 12 ASP H H 12 8.122 8.122 7.490 0.632 25079 906 1 5 . 1 1 13 13 LEU N N 13 120.144 120.144 123.159 -3.015 25079 907 1 5 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.237 0.099 25079 908 1 5 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.754 -1.166 25079 909 1 5 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.208 2.091 25079 910 1 5 . 1 1 13 13 LEU H H 13 7.719 7.719 7.607 0.112 25079 911 1 5 . 1 1 14 14 ASP N N 14 123.659 123.659 125.541 -1.882 25079 912 1 5 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.951 1.587 25079 913 1 5 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.907 0.264 25079 914 1 5 . 1 1 14 14 ASP H H 14 8.289 8.289 8.559 -0.270 25079 915 1 5 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.358 -0.106 25079 916 1 5 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.227 0.304 25079 917 1 5 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.966 0.358 25079 918 1 5 . 1 1 16 16 LEU N N 16 120.965 120.965 119.506 1.459 25079 919 1 5 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.086 0.089 25079 920 1 5 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.852 0.600 25079 921 1 5 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.116 0.219 25079 922 1 5 . 1 1 16 16 LEU H H 16 8.639 8.639 7.986 0.653 25079 923 1 5 . 1 1 17 17 ILE N N 17 118.865 118.865 117.909 0.956 25079 924 1 5 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.783 -0.077 25079 925 1 5 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.195 0.138 25079 926 1 5 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.454 -0.746 25079 927 1 5 . 1 1 17 17 ILE H H 17 7.831 7.831 7.991 -0.160 25079 928 1 5 . 1 1 18 18 LEU N N 18 121.654 121.654 120.891 0.763 25079 929 1 5 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.022 -0.019 25079 930 1 5 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.543 0.126 25079 931 1 5 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.699 0.029 25079 932 1 5 . 1 1 18 18 LEU H H 18 8.229 8.229 7.683 0.546 25079 933 1 5 . 1 1 19 19 THR N N 19 115.361 115.361 116.328 -0.967 25079 934 1 5 . 1 1 19 19 THR HA H 19 4.252 4.252 4.059 0.193 25079 935 1 5 . 1 1 19 19 THR CA C 19 68.380 68.380 66.844 1.536 25079 936 1 5 . 1 1 19 19 THR CB C 19 67.094 67.094 68.436 -1.342 25079 937 1 5 . 1 1 19 19 THR H H 19 7.951 7.951 7.728 0.223 25079 938 1 5 . 1 1 20 20 LEU N N 20 119.190 119.190 121.863 -2.673 25079 939 1 5 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.088 -0.126 25079 940 1 5 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.758 0.555 25079 941 1 5 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.861 -0.053 25079 942 1 5 . 1 1 20 20 LEU H H 20 8.334 8.334 7.632 0.702 25079 943 1 5 . 1 1 21 21 SER N N 21 114.597 114.597 115.036 -0.439 25079 944 1 5 . 1 1 21 21 SER HA H 21 4.027 4.027 4.175 -0.148 25079 945 1 5 . 1 1 21 21 SER CA C 21 63.605 63.605 61.370 2.235 25079 946 1 5 . 1 1 21 21 SER CB C 21 63.022 63.022 63.224 -0.202 25079 947 1 5 . 1 1 21 21 SER H H 21 8.195 8.195 8.105 0.090 25079 948 1 5 . 1 1 22 22 LEU N N 22 120.987 120.987 123.241 -2.254 25079 949 1 5 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.950 0.046 25079 950 1 5 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.156 -0.022 25079 951 1 5 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.111 -0.509 25079 952 1 5 . 1 1 22 22 LEU H H 22 7.881 7.881 7.910 -0.029 25079 953 1 5 . 1 1 23 23 ILE N N 23 118.022 118.022 115.709 2.313 25079 954 1 5 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.724 -0.244 25079 955 1 5 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.527 1.241 25079 956 1 5 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.420 -0.157 25079 957 1 5 . 1 1 23 23 ILE H H 23 7.987 7.987 7.452 0.535 25079 958 1 5 . 1 1 24 24 LEU N N 24 118.701 118.701 121.854 -3.153 25079 959 1 5 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.027 -0.102 25079 960 1 5 . 1 1 24 24 LEU CA C 24 58.586 58.586 57.850 0.736 25079 961 1 5 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.806 0.815 25079 962 1 5 . 1 1 24 24 LEU H H 24 8.174 8.174 7.673 0.501 25079 963 1 5 . 1 1 25 25 VAL N N 25 117.708 117.708 118.827 -1.119 25079 964 1 5 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.615 0.812 25079 965 1 5 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.907 0.801 25079 966 1 5 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.689 -0.151 25079 967 1 5 . 1 1 25 25 VAL H H 25 8.118 8.118 8.489 -0.371 25079 968 1 5 . 1 1 26 26 VAL N N 26 118.872 118.872 120.683 -1.811 25079 969 1 5 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.649 -0.276 25079 970 1 5 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.611 1.241 25079 971 1 5 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.272 -0.302 25079 972 1 5 . 1 1 26 26 VAL H H 26 8.140 8.140 7.477 0.663 25079 973 1 5 . 1 1 27 27 ILE N N 27 118.715 118.715 118.538 0.177 25079 974 1 5 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.672 -0.145 25079 975 1 5 . 1 1 27 27 ILE CA C 27 65.922 65.922 65.043 0.879 25079 976 1 5 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.097 0.230 25079 977 1 5 . 1 1 27 27 ILE H H 27 8.336 8.336 7.672 0.664 25079 978 1 5 . 1 1 28 28 LEU N N 28 119.343 119.343 121.240 -1.897 25079 979 1 5 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.948 0.033 25079 980 1 5 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.226 0.400 25079 981 1 5 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.608 0.807 25079 982 1 5 . 1 1 28 28 LEU H H 28 8.494 8.494 7.991 0.503 25079 983 1 5 . 1 1 29 29 VAL N N 29 121.451 121.451 118.509 2.942 25079 984 1 5 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.683 -0.219 25079 985 1 5 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.624 1.058 25079 986 1 5 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.191 -0.019 25079 987 1 5 . 1 1 29 29 VAL H H 29 8.696 8.696 8.039 0.657 25079 988 1 5 . 1 1 30 30 LEU N N 30 119.811 119.811 120.018 -0.207 25079 989 1 5 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.991 -0.090 25079 990 1 5 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.334 1.449 25079 991 1 5 . 1 1 30 30 LEU CB C 30 41.515 41.515 40.609 0.906 25079 992 1 5 . 1 1 30 30 LEU H H 30 8.534 8.534 7.820 0.714 25079 993 1 5 . 1 1 31 31 LEU N N 31 117.365 117.365 120.267 -2.902 25079 994 1 5 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.050 -0.104 25079 995 1 5 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.369 0.074 25079 996 1 5 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.681 1.121 25079 997 1 5 . 1 1 31 31 LEU H H 31 8.770 8.770 8.571 0.199 25079 998 1 5 . 1 1 32 32 THR N N 32 116.494 116.494 113.930 2.564 25079 999 1 5 . 1 1 32 32 THR HA H 32 4.311 4.311 3.988 0.323 25079 1000 1 5 . 1 1 32 32 THR CA C 32 68.534 68.534 66.290 2.244 25079 1001 1 5 . 1 1 32 32 THR CB C 32 67.727 67.727 68.214 -0.487 25079 1002 1 5 . 1 1 32 32 THR H H 32 8.016 8.016 7.800 0.216 25079 1003 1 5 . 1 1 33 33 VAL N N 33 120.644 120.644 122.581 -1.937 25079 1004 1 5 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.625 -0.126 25079 1005 1 5 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.767 0.838 25079 1006 1 5 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.558 -0.090 25079 1007 1 5 . 1 1 33 33 VAL H H 33 8.430 8.430 7.642 0.788 25079 1008 1 5 . 1 1 34 34 LEU N N 34 118.815 118.815 119.838 -1.023 25079 1009 1 5 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.913 0.081 25079 1010 1 5 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.189 0.244 25079 1011 1 5 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.509 0.034 25079 1012 1 5 . 1 1 34 34 LEU H H 34 8.424 8.424 7.534 0.890 25079 1013 1 5 . 1 1 35 35 ALA N N 35 122.308 122.308 122.238 0.070 25079 1014 1 5 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.965 0.028 25079 1015 1 5 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.071 0.633 25079 1016 1 5 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.145 0.301 25079 1017 1 5 . 1 1 35 35 ALA H H 35 8.646 8.646 7.789 0.857 25079 1018 1 5 . 1 1 36 36 LEU N N 36 118.240 118.240 120.139 -1.899 25079 1019 1 5 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.970 0.088 25079 1020 1 5 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.047 0.031 25079 1021 1 5 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.141 -0.111 25079 1022 1 5 . 1 1 36 36 LEU H H 36 8.442 8.442 8.254 0.188 25079 1023 1 5 . 1 1 37 37 LEU N N 37 117.383 117.383 118.259 -0.876 25079 1024 1 5 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.818 0.270 25079 1025 1 5 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.574 -0.908 25079 1026 1 5 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.550 0.553 25079 1027 1 5 . 1 1 37 37 LEU H H 37 8.499 8.499 8.011 0.488 25079 1028 1 5 . 1 1 38 38 SER N N 38 113.837 113.837 115.555 -1.718 25079 1029 1 5 . 1 1 38 38 SER HA H 38 4.235 4.235 3.970 0.265 25079 1030 1 5 . 1 1 38 38 SER CA C 38 61.318 61.318 62.070 -0.752 25079 1031 1 5 . 1 1 38 38 SER CB C 38 63.438 63.438 62.989 0.449 25079 1032 1 5 . 1 1 38 38 SER H H 38 8.155 8.155 7.967 0.188 25079 1033 1 5 . 1 1 39 39 HIS N N 39 119.819 119.819 121.348 -1.529 25079 1034 1 5 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.402 0.375 25079 1035 1 5 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.435 -2.124 25079 1036 1 5 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.559 1.234 25079 1037 1 5 . 1 1 39 39 HIS H H 39 8.017 8.017 8.165 -0.148 25079 1038 1 5 . 1 1 40 40 ARG N N 40 119.165 119.165 119.922 -0.757 25079 1039 1 5 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.824 -1.055 25079 1040 1 5 . 1 1 40 40 ARG H H 40 7.785 7.785 8.333 -0.548 25079 1041 1 5 . 1 1 41 41 ARG N N 41 119.761 119.761 119.958 -0.197 25079 1042 1 5 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.054 0.062 25079 1043 1 5 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.336 -0.425 25079 1044 1 5 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.021 -0.446 25079 1045 1 5 . 1 1 41 41 ARG H H 41 8.358 8.358 8.374 -0.016 25079 1046 1 5 . 1 1 42 42 ALA N N 42 121.554 121.554 121.629 -0.075 25079 1047 1 5 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.059 0.145 25079 1048 1 5 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.015 -0.824 25079 1049 1 5 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.139 0.390 25079 1050 1 5 . 1 1 42 42 ALA H H 42 8.098 8.098 8.033 0.065 25079 1051 1 5 . 1 1 43 43 LEU N N 43 117.383 117.383 119.875 -2.492 25079 1052 1 5 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.037 0.024 25079 1053 1 5 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.925 -0.614 25079 1054 1 5 . 1 1 43 43 LEU CB C 43 42.485 42.485 42.066 0.420 25079 1055 1 5 . 1 1 43 43 LEU H H 43 7.986 7.986 7.733 0.253 25079 1056 1 5 . 1 1 44 44 LYS N N 44 118.908 118.908 118.612 0.296 25079 1057 1 5 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.913 0.130 25079 1058 1 5 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.474 0.428 25079 1059 1 5 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.315 0.315 25079 1060 1 5 . 1 1 44 44 LYS H H 44 8.258 8.258 8.097 0.161 25079 1061 1 5 . 1 1 45 45 GLN N N 45 115.858 115.858 119.124 -3.266 25079 1062 1 5 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.400 -0.278 25079 1063 1 5 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.235 -0.842 25079 1064 1 5 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.912 -0.265 25079 1065 1 5 . 1 1 45 45 GLN H H 45 7.764 7.764 7.790 -0.026 25079 1066 1 5 . 1 1 46 46 LYS N N 46 117.155 117.155 118.017 -0.862 25079 1067 1 5 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.130 0.047 25079 1068 1 5 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.910 -1.777 25079 1069 1 5 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.931 0.076 25079 1070 1 5 . 1 1 46 46 LYS H H 46 7.620 7.620 8.007 -0.387 25079 1071 1 5 . 1 1 47 47 ILE N N 47 116.662 116.662 116.602 0.060 25079 1072 1 5 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.223 -0.476 25079 1073 1 5 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.383 0.306 25079 1074 1 5 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.908 -3.234 25079 1075 1 5 . 1 1 47 47 ILE H H 47 7.570 7.570 7.831 -0.261 25079 1076 1 5 . 1 1 48 48 TRP N N 48 118.880 118.880 122.465 -3.585 25079 1077 1 5 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.045 -0.049 25079 1078 1 5 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.542 1.051 25079 1079 1 5 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.912 -2.119 25079 1080 1 5 . 1 1 48 48 TRP H H 48 8.001 8.001 8.179 -0.178 25079 1081 1 6 . 1 1 2 2 SER CB C 2 63.463 63.463 63.437 0.026 25079 1082 1 6 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.320 0.122 25079 1083 1 6 . 1 1 4 4 PRO CA C 4 63.352 63.352 64.436 -1.084 25079 1084 1 6 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.830 0.085 25079 1085 1 6 . 1 1 5 5 VAL N N 5 119.530 119.530 114.907 4.623 25079 1086 1 6 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.225 -0.160 25079 1087 1 6 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.489 0.057 25079 1088 1 6 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.384 0.068 25079 1089 1 6 . 1 1 5 5 VAL H H 5 8.193 8.193 7.481 0.712 25079 1090 1 6 . 1 1 6 6 SER N N 6 118.536 118.536 113.797 4.739 25079 1091 1 6 . 1 1 6 6 SER HA H 6 4.474 4.474 4.050 0.424 25079 1092 1 6 . 1 1 6 6 SER CA C 6 58.259 58.259 59.239 -0.980 25079 1093 1 6 . 1 1 6 6 SER CB C 6 64.180 64.180 61.481 2.699 25079 1094 1 6 . 1 1 6 6 SER H H 6 8.246 8.246 8.140 0.106 25079 1095 1 6 . 1 1 7 7 LEU N N 7 124.072 124.072 121.515 2.557 25079 1096 1 6 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.230 0.038 25079 1097 1 6 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.200 0.680 25079 1098 1 6 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.732 0.156 25079 1099 1 6 . 1 1 7 7 LEU H H 7 8.428 8.428 7.759 0.669 25079 1100 1 6 . 1 1 8 8 LEU N N 8 118.780 118.780 122.563 -3.783 25079 1101 1 6 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.142 0.242 25079 1102 1 6 . 1 1 8 8 LEU CA C 8 54.808 54.808 56.208 -1.400 25079 1103 1 6 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.249 0.719 25079 1104 1 6 . 1 1 8 8 LEU H H 8 7.911 7.911 8.306 -0.395 25079 1105 1 6 . 1 1 9 9 THR N N 9 114.528 114.528 118.847 -4.319 25079 1106 1 6 . 1 1 9 9 THR CA C 9 59.552 59.552 58.751 0.801 25079 1107 1 6 . 1 1 9 9 THR CB C 9 69.588 69.588 69.070 0.518 25079 1108 1 6 . 1 1 9 9 THR H H 9 8.030 8.030 8.266 -0.236 25079 1109 1 6 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.422 -0.053 25079 1110 1 6 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.296 -0.090 25079 1111 1 6 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.725 0.202 25079 1112 1 6 . 1 1 11 11 SER N N 11 113.430 113.430 113.168 0.262 25079 1113 1 6 . 1 1 11 11 SER HA H 11 4.293 4.293 4.306 -0.013 25079 1114 1 6 . 1 1 11 11 SER CA C 11 59.677 59.677 60.154 -0.477 25079 1115 1 6 . 1 1 11 11 SER CB C 11 63.851 63.851 62.789 1.062 25079 1116 1 6 . 1 1 11 11 SER H H 11 8.217 8.217 8.336 -0.119 25079 1117 1 6 . 1 1 12 12 ASP N N 12 120.212 120.212 120.579 -0.367 25079 1118 1 6 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.802 -0.176 25079 1119 1 6 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.447 1.262 25079 1120 1 6 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.563 -0.110 25079 1121 1 6 . 1 1 12 12 ASP H H 12 8.122 8.122 7.510 0.612 25079 1122 1 6 . 1 1 13 13 LEU N N 13 120.144 120.144 123.207 -3.063 25079 1123 1 6 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.227 0.109 25079 1124 1 6 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.724 -1.136 25079 1125 1 6 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.221 2.077 25079 1126 1 6 . 1 1 13 13 LEU H H 13 7.719 7.719 7.620 0.099 25079 1127 1 6 . 1 1 14 14 ASP N N 14 123.659 123.659 125.719 -2.060 25079 1128 1 6 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.696 1.842 25079 1129 1 6 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.902 0.269 25079 1130 1 6 . 1 1 14 14 ASP H H 14 8.289 8.289 8.334 -0.045 25079 1131 1 6 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.368 -0.116 25079 1132 1 6 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.104 0.427 25079 1133 1 6 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.102 0.222 25079 1134 1 6 . 1 1 16 16 LEU N N 16 120.965 120.965 118.076 2.889 25079 1135 1 6 . 1 1 16 16 LEU HA H 16 4.175 4.175 3.976 0.199 25079 1136 1 6 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.843 0.609 25079 1137 1 6 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.629 -0.294 25079 1138 1 6 . 1 1 16 16 LEU H H 16 8.639 8.639 7.776 0.863 25079 1139 1 6 . 1 1 17 17 ILE N N 17 118.865 118.865 116.461 2.404 25079 1140 1 6 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.766 -0.060 25079 1141 1 6 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.604 -0.271 25079 1142 1 6 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.468 -0.760 25079 1143 1 6 . 1 1 17 17 ILE H H 17 7.831 7.831 7.648 0.183 25079 1144 1 6 . 1 1 18 18 LEU N N 18 121.654 121.654 121.481 0.173 25079 1145 1 6 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.044 -0.041 25079 1146 1 6 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.513 0.156 25079 1147 1 6 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.704 0.024 25079 1148 1 6 . 1 1 18 18 LEU H H 18 8.229 8.229 7.699 0.530 25079 1149 1 6 . 1 1 19 19 THR N N 19 115.361 115.361 114.798 0.563 25079 1150 1 6 . 1 1 19 19 THR HA H 19 4.252 4.252 4.075 0.177 25079 1151 1 6 . 1 1 19 19 THR CA C 19 68.380 68.380 65.624 2.756 25079 1152 1 6 . 1 1 19 19 THR CB C 19 67.094 67.094 68.265 -1.171 25079 1153 1 6 . 1 1 19 19 THR H H 19 7.951 7.951 7.872 0.079 25079 1154 1 6 . 1 1 20 20 LEU N N 20 119.190 119.190 122.082 -2.892 25079 1155 1 6 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.157 -0.195 25079 1156 1 6 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.820 0.493 25079 1157 1 6 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.802 0.006 25079 1158 1 6 . 1 1 20 20 LEU H H 20 8.334 8.334 7.642 0.692 25079 1159 1 6 . 1 1 21 21 SER N N 21 114.597 114.597 115.318 -0.721 25079 1160 1 6 . 1 1 21 21 SER HA H 21 4.027 4.027 4.212 -0.185 25079 1161 1 6 . 1 1 21 21 SER CA C 21 63.605 63.605 61.829 1.776 25079 1162 1 6 . 1 1 21 21 SER CB C 21 63.022 63.022 63.082 -0.060 25079 1163 1 6 . 1 1 21 21 SER H H 21 8.195 8.195 8.288 -0.093 25079 1164 1 6 . 1 1 22 22 LEU N N 22 120.987 120.987 122.381 -1.394 25079 1165 1 6 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.910 0.086 25079 1166 1 6 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.103 0.030 25079 1167 1 6 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.962 -0.360 25079 1168 1 6 . 1 1 22 22 LEU H H 22 7.881 7.881 7.760 0.121 25079 1169 1 6 . 1 1 23 23 ILE N N 23 118.022 118.022 115.874 2.148 25079 1170 1 6 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.685 -0.205 25079 1171 1 6 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.669 1.099 25079 1172 1 6 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.394 -0.131 25079 1173 1 6 . 1 1 23 23 ILE H H 23 7.987 7.987 7.534 0.453 25079 1174 1 6 . 1 1 24 24 LEU N N 24 118.701 118.701 121.584 -2.883 25079 1175 1 6 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.112 -0.187 25079 1176 1 6 . 1 1 24 24 LEU CA C 24 58.586 58.586 57.874 0.711 25079 1177 1 6 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.927 0.694 25079 1178 1 6 . 1 1 24 24 LEU H H 24 8.174 8.174 7.543 0.631 25079 1179 1 6 . 1 1 25 25 VAL N N 25 117.708 117.708 119.080 -1.372 25079 1180 1 6 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.731 0.696 25079 1181 1 6 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.595 1.113 25079 1182 1 6 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.159 0.380 25079 1183 1 6 . 1 1 25 25 VAL H H 25 8.118 8.118 8.487 -0.369 25079 1184 1 6 . 1 1 26 26 VAL N N 26 118.872 118.872 121.301 -2.429 25079 1185 1 6 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.696 -0.323 25079 1186 1 6 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.974 0.878 25079 1187 1 6 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.425 -0.455 25079 1188 1 6 . 1 1 26 26 VAL H H 26 8.140 8.140 8.249 -0.109 25079 1189 1 6 . 1 1 27 27 ILE N N 27 118.715 118.715 117.148 1.567 25079 1190 1 6 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.881 -0.354 25079 1191 1 6 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.869 1.053 25079 1192 1 6 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.492 -0.165 25079 1193 1 6 . 1 1 27 27 ILE H H 27 8.336 8.336 7.763 0.573 25079 1194 1 6 . 1 1 28 28 LEU N N 28 119.343 119.343 121.981 -2.638 25079 1195 1 6 . 1 1 28 28 LEU HA H 28 3.981 3.981 4.002 -0.021 25079 1196 1 6 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.228 0.398 25079 1197 1 6 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.650 0.765 25079 1198 1 6 . 1 1 28 28 LEU H H 28 8.494 8.494 7.481 1.013 25079 1199 1 6 . 1 1 29 29 VAL N N 29 121.451 121.451 118.355 3.096 25079 1200 1 6 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.704 -0.240 25079 1201 1 6 . 1 1 29 29 VAL CA C 29 67.682 67.682 65.890 1.792 25079 1202 1 6 . 1 1 29 29 VAL CB C 29 31.172 31.172 30.861 0.311 25079 1203 1 6 . 1 1 29 29 VAL H H 29 8.696 8.696 7.639 1.057 25079 1204 1 6 . 1 1 30 30 LEU N N 30 119.811 119.811 120.025 -0.214 25079 1205 1 6 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.932 -0.031 25079 1206 1 6 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.803 0.980 25079 1207 1 6 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.599 -0.084 25079 1208 1 6 . 1 1 30 30 LEU H H 30 8.534 8.534 7.540 0.994 25079 1209 1 6 . 1 1 31 31 LEU N N 31 117.365 117.365 119.413 -2.048 25079 1210 1 6 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.052 -0.106 25079 1211 1 6 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.378 0.065 25079 1212 1 6 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.613 1.189 25079 1213 1 6 . 1 1 31 31 LEU H H 31 8.770 8.770 8.330 0.440 25079 1214 1 6 . 1 1 32 32 THR N N 32 116.494 116.494 114.079 2.415 25079 1215 1 6 . 1 1 32 32 THR HA H 32 4.311 4.311 3.976 0.335 25079 1216 1 6 . 1 1 32 32 THR CA C 32 68.534 68.534 66.208 2.326 25079 1217 1 6 . 1 1 32 32 THR CB C 32 67.727 67.727 68.312 -0.585 25079 1218 1 6 . 1 1 32 32 THR H H 32 8.016 8.016 7.722 0.294 25079 1219 1 6 . 1 1 33 33 VAL N N 33 120.644 120.644 122.655 -2.011 25079 1220 1 6 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.600 -0.101 25079 1221 1 6 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.799 0.806 25079 1222 1 6 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.590 -0.122 25079 1223 1 6 . 1 1 33 33 VAL H H 33 8.430 8.430 8.010 0.420 25079 1224 1 6 . 1 1 34 34 LEU N N 34 118.815 118.815 119.731 -0.916 25079 1225 1 6 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.919 0.075 25079 1226 1 6 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.142 0.291 25079 1227 1 6 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.513 0.030 25079 1228 1 6 . 1 1 34 34 LEU H H 34 8.424 8.424 7.593 0.831 25079 1229 1 6 . 1 1 35 35 ALA N N 35 122.308 122.308 122.642 -0.334 25079 1230 1 6 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.000 -0.007 25079 1231 1 6 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.289 0.415 25079 1232 1 6 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.177 0.269 25079 1233 1 6 . 1 1 35 35 ALA H H 35 8.646 8.646 7.843 0.803 25079 1234 1 6 . 1 1 36 36 LEU N N 36 118.240 118.240 119.832 -1.592 25079 1235 1 6 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.048 0.010 25079 1236 1 6 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.419 -0.341 25079 1237 1 6 . 1 1 36 36 LEU CB C 36 42.030 42.030 41.984 0.046 25079 1238 1 6 . 1 1 36 36 LEU H H 36 8.442 8.442 8.304 0.138 25079 1239 1 6 . 1 1 37 37 LEU N N 37 117.383 117.383 119.408 -2.025 25079 1240 1 6 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.906 0.181 25079 1241 1 6 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.472 -0.806 25079 1242 1 6 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.370 0.733 25079 1243 1 6 . 1 1 37 37 LEU H H 37 8.499 8.499 8.129 0.370 25079 1244 1 6 . 1 1 38 38 SER N N 38 113.837 113.837 114.860 -1.023 25079 1245 1 6 . 1 1 38 38 SER HA H 38 4.235 4.235 4.045 0.190 25079 1246 1 6 . 1 1 38 38 SER CA C 38 61.318 61.318 62.078 -0.760 25079 1247 1 6 . 1 1 38 38 SER CB C 38 63.438 63.438 63.066 0.372 25079 1248 1 6 . 1 1 38 38 SER H H 38 8.155 8.155 8.555 -0.400 25079 1249 1 6 . 1 1 39 39 HIS N N 39 119.819 119.819 121.346 -1.527 25079 1250 1 6 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.282 0.495 25079 1251 1 6 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.232 -2.921 25079 1252 1 6 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.996 0.797 25079 1253 1 6 . 1 1 39 39 HIS H H 39 8.017 8.017 8.317 -0.300 25079 1254 1 6 . 1 1 40 40 ARG N N 40 119.165 119.165 119.305 -0.140 25079 1255 1 6 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.624 -0.855 25079 1256 1 6 . 1 1 40 40 ARG H H 40 7.785 7.785 8.489 -0.704 25079 1257 1 6 . 1 1 41 41 ARG N N 41 119.761 119.761 119.908 -0.147 25079 1258 1 6 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.035 0.081 25079 1259 1 6 . 1 1 41 41 ARG CA C 41 58.911 58.911 58.970 -0.059 25079 1260 1 6 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.709 -0.133 25079 1261 1 6 . 1 1 41 41 ARG H H 41 8.358 8.358 7.965 0.393 25079 1262 1 6 . 1 1 42 42 ALA N N 42 121.554 121.554 122.076 -0.522 25079 1263 1 6 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.009 0.195 25079 1264 1 6 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.059 -0.868 25079 1265 1 6 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.044 0.485 25079 1266 1 6 . 1 1 42 42 ALA H H 42 8.098 8.098 7.920 0.178 25079 1267 1 6 . 1 1 43 43 LEU N N 43 117.383 117.383 119.284 -1.901 25079 1268 1 6 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.976 0.085 25079 1269 1 6 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.902 -0.591 25079 1270 1 6 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.759 0.726 25079 1271 1 6 . 1 1 43 43 LEU H H 43 7.986 7.986 7.795 0.191 25079 1272 1 6 . 1 1 44 44 LYS N N 44 118.908 118.908 118.803 0.105 25079 1273 1 6 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.975 0.068 25079 1274 1 6 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.403 0.499 25079 1275 1 6 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.259 0.371 25079 1276 1 6 . 1 1 44 44 LYS H H 44 8.258 8.258 8.223 0.035 25079 1277 1 6 . 1 1 45 45 GLN N N 45 115.858 115.858 119.702 -3.844 25079 1278 1 6 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.350 -0.228 25079 1279 1 6 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.302 -0.909 25079 1280 1 6 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.757 -0.110 25079 1281 1 6 . 1 1 45 45 GLN H H 45 7.764 7.764 7.967 -0.203 25079 1282 1 6 . 1 1 46 46 LYS N N 46 117.155 117.155 117.560 -0.405 25079 1283 1 6 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.140 0.037 25079 1284 1 6 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.698 -1.565 25079 1285 1 6 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.900 0.107 25079 1286 1 6 . 1 1 46 46 LYS H H 46 7.620 7.620 7.973 -0.353 25079 1287 1 6 . 1 1 47 47 ILE N N 47 116.662 116.662 116.573 0.089 25079 1288 1 6 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.243 -0.496 25079 1289 1 6 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.188 0.501 25079 1290 1 6 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.648 -2.974 25079 1291 1 6 . 1 1 47 47 ILE H H 47 7.570 7.570 7.574 -0.004 25079 1292 1 6 . 1 1 48 48 TRP N N 48 118.880 118.880 122.505 -3.625 25079 1293 1 6 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.069 -0.073 25079 1294 1 6 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.648 0.945 25079 1295 1 6 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.528 -2.735 25079 1296 1 6 . 1 1 48 48 TRP H H 48 8.001 8.001 8.373 -0.372 25079 1297 1 7 . 1 1 2 2 SER CB C 2 63.463 63.463 64.776 -1.313 25079 1298 1 7 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.439 0.003 25079 1299 1 7 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.297 0.055 25079 1300 1 7 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.861 0.054 25079 1301 1 7 . 1 1 5 5 VAL N N 5 119.530 119.530 124.281 -4.751 25079 1302 1 7 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.358 -0.293 25079 1303 1 7 . 1 1 5 5 VAL CA C 5 62.546 62.546 60.985 1.561 25079 1304 1 7 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.658 -0.206 25079 1305 1 7 . 1 1 5 5 VAL H H 5 8.193 8.193 7.980 0.213 25079 1306 1 7 . 1 1 6 6 SER N N 6 118.536 118.536 116.758 1.778 25079 1307 1 7 . 1 1 6 6 SER HA H 6 4.474 4.474 4.609 -0.135 25079 1308 1 7 . 1 1 6 6 SER CA C 6 58.259 58.259 57.867 0.392 25079 1309 1 7 . 1 1 6 6 SER CB C 6 64.180 64.180 61.729 2.451 25079 1310 1 7 . 1 1 6 6 SER H H 6 8.246 8.246 8.353 -0.107 25079 1311 1 7 . 1 1 7 7 LEU N N 7 124.072 124.072 122.310 1.762 25079 1312 1 7 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.126 0.142 25079 1313 1 7 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.167 -0.288 25079 1314 1 7 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.517 0.371 25079 1315 1 7 . 1 1 7 7 LEU H H 7 8.428 8.428 7.483 0.945 25079 1316 1 7 . 1 1 8 8 LEU N N 8 118.780 118.780 122.379 -3.599 25079 1317 1 7 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.632 -0.248 25079 1318 1 7 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.456 0.352 25079 1319 1 7 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.930 0.038 25079 1320 1 7 . 1 1 8 8 LEU H H 8 7.911 7.911 8.095 -0.184 25079 1321 1 7 . 1 1 9 9 THR N N 9 114.528 114.528 113.769 0.759 25079 1322 1 7 . 1 1 9 9 THR CA C 9 59.552 59.552 59.109 0.443 25079 1323 1 7 . 1 1 9 9 THR CB C 9 69.588 69.588 69.334 0.254 25079 1324 1 7 . 1 1 9 9 THR H H 9 8.030 8.030 8.047 -0.017 25079 1325 1 7 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.396 -0.027 25079 1326 1 7 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.494 -0.288 25079 1327 1 7 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.804 0.123 25079 1328 1 7 . 1 1 11 11 SER N N 11 113.430 113.430 111.749 1.681 25079 1329 1 7 . 1 1 11 11 SER HA H 11 4.293 4.293 4.313 -0.020 25079 1330 1 7 . 1 1 11 11 SER CA C 11 59.677 59.677 59.713 -0.036 25079 1331 1 7 . 1 1 11 11 SER CB C 11 63.851 63.851 62.706 1.145 25079 1332 1 7 . 1 1 11 11 SER H H 11 8.217 8.217 8.311 -0.094 25079 1333 1 7 . 1 1 12 12 ASP N N 12 120.212 120.212 120.462 -0.250 25079 1334 1 7 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.817 -0.191 25079 1335 1 7 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.568 1.141 25079 1336 1 7 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.397 -0.944 25079 1337 1 7 . 1 1 12 12 ASP H H 12 8.122 8.122 7.848 0.274 25079 1338 1 7 . 1 1 13 13 LEU N N 13 120.144 120.144 123.240 -3.096 25079 1339 1 7 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.253 0.083 25079 1340 1 7 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.697 -1.109 25079 1341 1 7 . 1 1 13 13 LEU CB C 13 43.298 43.298 39.856 3.442 25079 1342 1 7 . 1 1 13 13 LEU H H 13 7.719 7.719 7.567 0.152 25079 1343 1 7 . 1 1 14 14 ASP N N 14 123.659 123.659 125.069 -1.410 25079 1344 1 7 . 1 1 14 14 ASP CA C 14 53.538 53.538 52.036 1.502 25079 1345 1 7 . 1 1 14 14 ASP CB C 14 43.171 43.171 43.408 -0.237 25079 1346 1 7 . 1 1 14 14 ASP H H 14 8.289 8.289 8.453 -0.164 25079 1347 1 7 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.368 -0.116 25079 1348 1 7 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.754 0.777 25079 1349 1 7 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.026 0.298 25079 1350 1 7 . 1 1 16 16 LEU N N 16 120.965 120.965 117.851 3.114 25079 1351 1 7 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.086 0.089 25079 1352 1 7 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.606 0.846 25079 1353 1 7 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.463 -0.128 25079 1354 1 7 . 1 1 16 16 LEU H H 16 8.639 8.639 7.818 0.821 25079 1355 1 7 . 1 1 17 17 ILE N N 17 118.865 118.865 116.268 2.597 25079 1356 1 7 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.778 -0.072 25079 1357 1 7 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.692 -0.359 25079 1358 1 7 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.434 -0.726 25079 1359 1 7 . 1 1 17 17 ILE H H 17 7.831 7.831 7.567 0.264 25079 1360 1 7 . 1 1 18 18 LEU N N 18 121.654 121.654 121.428 0.226 25079 1361 1 7 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.072 -0.069 25079 1362 1 7 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.266 0.404 25079 1363 1 7 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.703 0.025 25079 1364 1 7 . 1 1 18 18 LEU H H 18 8.229 8.229 7.825 0.404 25079 1365 1 7 . 1 1 19 19 THR N N 19 115.361 115.361 116.555 -1.194 25079 1366 1 7 . 1 1 19 19 THR HA H 19 4.252 4.252 4.030 0.222 25079 1367 1 7 . 1 1 19 19 THR CA C 19 68.380 68.380 67.187 1.193 25079 1368 1 7 . 1 1 19 19 THR CB C 19 67.094 67.094 68.530 -1.436 25079 1369 1 7 . 1 1 19 19 THR H H 19 7.951 7.951 7.686 0.265 25079 1370 1 7 . 1 1 20 20 LEU N N 20 119.190 119.190 121.259 -2.069 25079 1371 1 7 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.253 -0.291 25079 1372 1 7 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.390 0.923 25079 1373 1 7 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.033 0.774 25079 1374 1 7 . 1 1 20 20 LEU H H 20 8.334 8.334 7.680 0.654 25079 1375 1 7 . 1 1 21 21 SER N N 21 114.597 114.597 115.670 -1.073 25079 1376 1 7 . 1 1 21 21 SER HA H 21 4.027 4.027 4.265 -0.238 25079 1377 1 7 . 1 1 21 21 SER CA C 21 63.605 63.605 61.229 2.376 25079 1378 1 7 . 1 1 21 21 SER CB C 21 63.022 63.022 63.016 0.006 25079 1379 1 7 . 1 1 21 21 SER H H 21 8.195 8.195 8.056 0.139 25079 1380 1 7 . 1 1 22 22 LEU N N 22 120.987 120.987 123.125 -2.138 25079 1381 1 7 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.015 -0.019 25079 1382 1 7 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.279 -0.145 25079 1383 1 7 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.040 -0.438 25079 1384 1 7 . 1 1 22 22 LEU H H 22 7.881 7.881 8.060 -0.179 25079 1385 1 7 . 1 1 23 23 ILE N N 23 118.022 118.022 115.954 2.068 25079 1386 1 7 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.728 -0.248 25079 1387 1 7 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.374 1.394 25079 1388 1 7 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.471 -0.208 25079 1389 1 7 . 1 1 23 23 ILE H H 23 7.987 7.987 7.509 0.478 25079 1390 1 7 . 1 1 24 24 LEU N N 24 118.701 118.701 121.974 -3.273 25079 1391 1 7 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.149 -0.224 25079 1392 1 7 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.205 0.381 25079 1393 1 7 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.531 0.090 25079 1394 1 7 . 1 1 24 24 LEU H H 24 8.174 8.174 7.566 0.608 25079 1395 1 7 . 1 1 25 25 VAL N N 25 117.708 117.708 119.546 -1.838 25079 1396 1 7 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.698 0.729 25079 1397 1 7 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.919 0.789 25079 1398 1 7 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.901 0.638 25079 1399 1 7 . 1 1 25 25 VAL H H 25 8.118 8.118 8.446 -0.328 25079 1400 1 7 . 1 1 26 26 VAL N N 26 118.872 118.872 120.665 -1.793 25079 1401 1 7 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.656 -0.283 25079 1402 1 7 . 1 1 26 26 VAL CA C 26 67.852 67.852 67.085 0.767 25079 1403 1 7 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.365 -0.395 25079 1404 1 7 . 1 1 26 26 VAL H H 26 8.140 8.140 7.626 0.514 25079 1405 1 7 . 1 1 27 27 ILE N N 27 118.715 118.715 117.268 1.447 25079 1406 1 7 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.705 -0.178 25079 1407 1 7 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.863 1.059 25079 1408 1 7 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.320 0.007 25079 1409 1 7 . 1 1 27 27 ILE H H 27 8.336 8.336 7.616 0.720 25079 1410 1 7 . 1 1 28 28 LEU N N 28 119.343 119.343 121.758 -2.415 25079 1411 1 7 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.979 0.002 25079 1412 1 7 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.171 0.455 25079 1413 1 7 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.735 0.680 25079 1414 1 7 . 1 1 28 28 LEU H H 28 8.494 8.494 7.965 0.529 25079 1415 1 7 . 1 1 29 29 VAL N N 29 121.451 121.451 118.320 3.131 25079 1416 1 7 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.627 -0.163 25079 1417 1 7 . 1 1 29 29 VAL CA C 29 67.682 67.682 67.020 0.662 25079 1418 1 7 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.419 -0.247 25079 1419 1 7 . 1 1 29 29 VAL H H 29 8.696 8.696 7.917 0.779 25079 1420 1 7 . 1 1 30 30 LEU N N 30 119.811 119.811 120.519 -0.708 25079 1421 1 7 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.927 -0.026 25079 1422 1 7 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.794 0.989 25079 1423 1 7 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.778 -0.263 25079 1424 1 7 . 1 1 30 30 LEU H H 30 8.534 8.534 7.950 0.584 25079 1425 1 7 . 1 1 31 31 LEU N N 31 117.365 117.365 119.219 -1.854 25079 1426 1 7 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.044 -0.098 25079 1427 1 7 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.105 0.338 25079 1428 1 7 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.810 0.992 25079 1429 1 7 . 1 1 31 31 LEU H H 31 8.770 8.770 8.362 0.408 25079 1430 1 7 . 1 1 32 32 THR N N 32 116.494 116.494 113.319 3.175 25079 1431 1 7 . 1 1 32 32 THR HA H 32 4.311 4.311 3.981 0.330 25079 1432 1 7 . 1 1 32 32 THR CA C 32 68.534 68.534 66.591 1.943 25079 1433 1 7 . 1 1 32 32 THR CB C 32 67.727 67.727 68.818 -1.091 25079 1434 1 7 . 1 1 32 32 THR H H 32 8.016 8.016 7.735 0.281 25079 1435 1 7 . 1 1 33 33 VAL N N 33 120.644 120.644 122.898 -2.254 25079 1436 1 7 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.621 -0.122 25079 1437 1 7 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.629 0.976 25079 1438 1 7 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.622 -0.154 25079 1439 1 7 . 1 1 33 33 VAL H H 33 8.430 8.430 8.199 0.231 25079 1440 1 7 . 1 1 34 34 LEU N N 34 118.815 118.815 120.276 -1.461 25079 1441 1 7 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.992 0.002 25079 1442 1 7 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.026 0.407 25079 1443 1 7 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.193 0.350 25079 1444 1 7 . 1 1 34 34 LEU H H 34 8.424 8.424 7.637 0.787 25079 1445 1 7 . 1 1 35 35 ALA N N 35 122.308 122.308 123.088 -0.780 25079 1446 1 7 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.059 -0.066 25079 1447 1 7 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.141 0.563 25079 1448 1 7 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.359 0.087 25079 1449 1 7 . 1 1 35 35 ALA H H 35 8.646 8.646 7.890 0.756 25079 1450 1 7 . 1 1 36 36 LEU N N 36 118.240 118.240 119.921 -1.681 25079 1451 1 7 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.211 -0.153 25079 1452 1 7 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.709 0.369 25079 1453 1 7 . 1 1 36 36 LEU CB C 36 42.030 42.030 40.852 1.178 25079 1454 1 7 . 1 1 36 36 LEU H H 36 8.442 8.442 8.349 0.093 25079 1455 1 7 . 1 1 37 37 LEU N N 37 117.383 117.383 119.936 -2.553 25079 1456 1 7 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.919 0.169 25079 1457 1 7 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.601 -0.935 25079 1458 1 7 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.511 0.592 25079 1459 1 7 . 1 1 37 37 LEU H H 37 8.499 8.499 8.124 0.375 25079 1460 1 7 . 1 1 38 38 SER N N 38 113.837 113.837 115.577 -1.740 25079 1461 1 7 . 1 1 38 38 SER HA H 38 4.235 4.235 4.022 0.213 25079 1462 1 7 . 1 1 38 38 SER CA C 38 61.318 61.318 61.807 -0.489 25079 1463 1 7 . 1 1 38 38 SER CB C 38 63.438 63.438 62.531 0.907 25079 1464 1 7 . 1 1 38 38 SER H H 38 8.155 8.155 8.718 -0.563 25079 1465 1 7 . 1 1 39 39 HIS N N 39 119.819 119.819 122.131 -2.312 25079 1466 1 7 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.313 0.464 25079 1467 1 7 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.178 -2.867 25079 1468 1 7 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.707 1.086 25079 1469 1 7 . 1 1 39 39 HIS H H 39 8.017 8.017 8.135 -0.118 25079 1470 1 7 . 1 1 40 40 ARG N N 40 119.165 119.165 119.914 -0.749 25079 1471 1 7 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.952 -1.183 25079 1472 1 7 . 1 1 40 40 ARG H H 40 7.785 7.785 8.449 -0.664 25079 1473 1 7 . 1 1 41 41 ARG N N 41 119.761 119.761 118.946 0.815 25079 1474 1 7 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.053 0.063 25079 1475 1 7 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.177 -0.266 25079 1476 1 7 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.891 -0.316 25079 1477 1 7 . 1 1 41 41 ARG H H 41 8.358 8.358 8.005 0.353 25079 1478 1 7 . 1 1 42 42 ALA N N 42 121.554 121.554 122.253 -0.699 25079 1479 1 7 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.085 0.119 25079 1480 1 7 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.048 -0.857 25079 1481 1 7 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.179 0.350 25079 1482 1 7 . 1 1 42 42 ALA H H 42 8.098 8.098 7.815 0.283 25079 1483 1 7 . 1 1 43 43 LEU N N 43 117.383 117.383 119.583 -2.200 25079 1484 1 7 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.034 0.027 25079 1485 1 7 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.923 -0.612 25079 1486 1 7 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.788 0.697 25079 1487 1 7 . 1 1 43 43 LEU H H 43 7.986 7.986 7.725 0.261 25079 1488 1 7 . 1 1 44 44 LYS N N 44 118.908 118.908 119.096 -0.188 25079 1489 1 7 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.900 0.143 25079 1490 1 7 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.609 0.293 25079 1491 1 7 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.369 0.261 25079 1492 1 7 . 1 1 44 44 LYS H H 44 8.258 8.258 8.150 0.108 25079 1493 1 7 . 1 1 45 45 GLN N N 45 115.858 115.858 119.131 -3.273 25079 1494 1 7 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.395 -0.273 25079 1495 1 7 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.304 -0.911 25079 1496 1 7 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.892 -0.245 25079 1497 1 7 . 1 1 45 45 GLN H H 45 7.764 7.764 8.056 -0.292 25079 1498 1 7 . 1 1 46 46 LYS N N 46 117.155 117.155 117.697 -0.542 25079 1499 1 7 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.143 0.034 25079 1500 1 7 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.664 -1.531 25079 1501 1 7 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.999 0.008 25079 1502 1 7 . 1 1 46 46 LYS H H 46 7.620 7.620 7.800 -0.180 25079 1503 1 7 . 1 1 47 47 ILE N N 47 116.662 116.662 116.805 -0.143 25079 1504 1 7 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.244 -0.497 25079 1505 1 7 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.181 0.508 25079 1506 1 7 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.942 -3.268 25079 1507 1 7 . 1 1 47 47 ILE H H 47 7.570 7.570 7.653 -0.083 25079 1508 1 7 . 1 1 48 48 TRP N N 48 118.880 118.880 122.370 -3.490 25079 1509 1 7 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.055 -0.059 25079 1510 1 7 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.572 1.020 25079 1511 1 7 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.266 -2.473 25079 1512 1 7 . 1 1 48 48 TRP H H 48 8.001 8.001 8.286 -0.285 25079 1513 1 8 . 1 1 2 2 SER CB C 2 63.463 63.463 63.873 -0.410 25079 1514 1 8 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.490 -0.048 25079 1515 1 8 . 1 1 4 4 PRO CA C 4 63.352 63.352 64.080 -0.728 25079 1516 1 8 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.653 0.262 25079 1517 1 8 . 1 1 5 5 VAL N N 5 119.530 119.530 116.855 2.675 25079 1518 1 8 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.162 -0.097 25079 1519 1 8 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.428 0.118 25079 1520 1 8 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.474 -0.022 25079 1521 1 8 . 1 1 5 5 VAL H H 5 8.193 8.193 7.515 0.678 25079 1522 1 8 . 1 1 6 6 SER N N 6 118.536 118.536 115.368 3.168 25079 1523 1 8 . 1 1 6 6 SER HA H 6 4.474 4.474 4.176 0.298 25079 1524 1 8 . 1 1 6 6 SER CA C 6 58.259 58.259 60.222 -1.963 25079 1525 1 8 . 1 1 6 6 SER CB C 6 64.180 64.180 63.187 0.993 25079 1526 1 8 . 1 1 6 6 SER H H 6 8.246 8.246 7.601 0.645 25079 1527 1 8 . 1 1 7 7 LEU N N 7 124.072 124.072 121.392 2.680 25079 1528 1 8 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.051 0.217 25079 1529 1 8 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.180 -0.301 25079 1530 1 8 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.215 0.673 25079 1531 1 8 . 1 1 7 7 LEU H H 7 8.428 8.428 7.794 0.634 25079 1532 1 8 . 1 1 8 8 LEU N N 8 118.780 118.780 116.093 2.687 25079 1533 1 8 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.010 0.374 25079 1534 1 8 . 1 1 8 8 LEU CA C 8 54.808 54.808 55.235 -0.427 25079 1535 1 8 . 1 1 8 8 LEU CB C 8 42.968 42.968 41.542 1.426 25079 1536 1 8 . 1 1 8 8 LEU H H 8 7.911 7.911 8.664 -0.753 25079 1537 1 8 . 1 1 9 9 THR N N 9 114.528 114.528 114.644 -0.116 25079 1538 1 8 . 1 1 9 9 THR CA C 9 59.552 59.552 63.772 -4.220 25079 1539 1 8 . 1 1 9 9 THR CB C 9 69.588 69.588 69.730 -0.142 25079 1540 1 8 . 1 1 9 9 THR H H 9 8.030 8.030 7.556 0.474 25079 1541 1 8 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.330 0.039 25079 1542 1 8 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.894 -0.688 25079 1543 1 8 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.980 -0.053 25079 1544 1 8 . 1 1 11 11 SER N N 11 113.430 113.430 113.707 -0.277 25079 1545 1 8 . 1 1 11 11 SER HA H 11 4.293 4.293 4.269 0.024 25079 1546 1 8 . 1 1 11 11 SER CA C 11 59.677 59.677 60.204 -0.527 25079 1547 1 8 . 1 1 11 11 SER CB C 11 63.851 63.851 62.973 0.878 25079 1548 1 8 . 1 1 11 11 SER H H 11 8.217 8.217 7.956 0.261 25079 1549 1 8 . 1 1 12 12 ASP N N 12 120.212 120.212 121.333 -1.121 25079 1550 1 8 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.825 -0.199 25079 1551 1 8 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.122 1.587 25079 1552 1 8 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.894 -0.441 25079 1553 1 8 . 1 1 12 12 ASP H H 12 8.122 8.122 7.598 0.524 25079 1554 1 8 . 1 1 13 13 LEU N N 13 120.144 120.144 122.766 -2.622 25079 1555 1 8 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.188 0.148 25079 1556 1 8 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.481 -0.893 25079 1557 1 8 . 1 1 13 13 LEU CB C 13 43.298 43.298 39.694 3.604 25079 1558 1 8 . 1 1 13 13 LEU H H 13 7.719 7.719 7.634 0.085 25079 1559 1 8 . 1 1 14 14 ASP N N 14 123.659 123.659 126.516 -2.857 25079 1560 1 8 . 1 1 14 14 ASP CA C 14 53.538 53.538 52.057 1.481 25079 1561 1 8 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.336 0.835 25079 1562 1 8 . 1 1 14 14 ASP H H 14 8.289 8.289 8.637 -0.348 25079 1563 1 8 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.246 0.006 25079 1564 1 8 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.985 0.546 25079 1565 1 8 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.737 0.587 25079 1566 1 8 . 1 1 16 16 LEU N N 16 120.965 120.965 113.854 7.111 25079 1567 1 8 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.260 -0.085 25079 1568 1 8 . 1 1 16 16 LEU CA C 16 58.452 58.452 56.953 1.499 25079 1569 1 8 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.251 0.084 25079 1570 1 8 . 1 1 16 16 LEU H H 16 8.639 8.639 7.653 0.986 25079 1571 1 8 . 1 1 17 17 ILE N N 17 118.865 118.865 121.185 -2.320 25079 1572 1 8 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.786 -0.080 25079 1573 1 8 . 1 1 17 17 ILE CA C 17 64.333 64.333 62.944 1.389 25079 1574 1 8 . 1 1 17 17 ILE CB C 17 36.708 36.708 36.888 -0.180 25079 1575 1 8 . 1 1 17 17 ILE H H 17 7.831 7.831 7.999 -0.168 25079 1576 1 8 . 1 1 18 18 LEU N N 18 121.654 121.654 120.157 1.497 25079 1577 1 8 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.914 0.089 25079 1578 1 8 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.576 0.093 25079 1579 1 8 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.645 0.083 25079 1580 1 8 . 1 1 18 18 LEU H H 18 8.229 8.229 7.701 0.528 25079 1581 1 8 . 1 1 19 19 THR N N 19 115.361 115.361 115.279 0.082 25079 1582 1 8 . 1 1 19 19 THR HA H 19 4.252 4.252 4.014 0.238 25079 1583 1 8 . 1 1 19 19 THR CA C 19 68.380 68.380 66.987 1.393 25079 1584 1 8 . 1 1 19 19 THR CB C 19 67.094 67.094 68.431 -1.337 25079 1585 1 8 . 1 1 19 19 THR H H 19 7.951 7.951 7.841 0.110 25079 1586 1 8 . 1 1 20 20 LEU N N 20 119.190 119.190 121.451 -2.261 25079 1587 1 8 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.155 -0.193 25079 1588 1 8 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.271 1.042 25079 1589 1 8 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.853 -0.045 25079 1590 1 8 . 1 1 20 20 LEU H H 20 8.334 8.334 7.683 0.651 25079 1591 1 8 . 1 1 21 21 SER N N 21 114.597 114.597 115.830 -1.233 25079 1592 1 8 . 1 1 21 21 SER HA H 21 4.027 4.027 4.214 -0.187 25079 1593 1 8 . 1 1 21 21 SER CA C 21 63.605 63.605 61.948 1.657 25079 1594 1 8 . 1 1 21 21 SER CB C 21 63.022 63.022 63.308 -0.286 25079 1595 1 8 . 1 1 21 21 SER H H 21 8.195 8.195 8.561 -0.366 25079 1596 1 8 . 1 1 22 22 LEU N N 22 120.987 120.987 122.711 -1.724 25079 1597 1 8 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.006 -0.010 25079 1598 1 8 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.242 -0.108 25079 1599 1 8 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.343 0.260 25079 1600 1 8 . 1 1 22 22 LEU H H 22 7.881 7.881 8.151 -0.270 25079 1601 1 8 . 1 1 23 23 ILE N N 23 118.022 118.022 115.686 2.336 25079 1602 1 8 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.673 -0.193 25079 1603 1 8 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.606 1.162 25079 1604 1 8 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.322 -0.059 25079 1605 1 8 . 1 1 23 23 ILE H H 23 7.987 7.987 7.437 0.550 25079 1606 1 8 . 1 1 24 24 LEU N N 24 118.701 118.701 121.790 -3.089 25079 1607 1 8 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.121 -0.196 25079 1608 1 8 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.160 0.425 25079 1609 1 8 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.506 0.115 25079 1610 1 8 . 1 1 24 24 LEU H H 24 8.174 8.174 7.606 0.568 25079 1611 1 8 . 1 1 25 25 VAL N N 25 117.708 117.708 119.477 -1.769 25079 1612 1 8 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.689 0.738 25079 1613 1 8 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.921 0.787 25079 1614 1 8 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.943 0.596 25079 1615 1 8 . 1 1 25 25 VAL H H 25 8.118 8.118 8.517 -0.399 25079 1616 1 8 . 1 1 26 26 VAL N N 26 118.872 118.872 121.049 -2.177 25079 1617 1 8 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.664 -0.291 25079 1618 1 8 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.979 0.873 25079 1619 1 8 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.359 -0.389 25079 1620 1 8 . 1 1 26 26 VAL H H 26 8.140 8.140 7.955 0.185 25079 1621 1 8 . 1 1 27 27 ILE N N 27 118.715 118.715 117.352 1.363 25079 1622 1 8 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.702 -0.175 25079 1623 1 8 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.970 0.952 25079 1624 1 8 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.252 0.075 25079 1625 1 8 . 1 1 27 27 ILE H H 27 8.336 8.336 7.675 0.661 25079 1626 1 8 . 1 1 28 28 LEU N N 28 119.343 119.343 121.917 -2.574 25079 1627 1 8 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.964 0.017 25079 1628 1 8 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.161 0.465 25079 1629 1 8 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.640 0.775 25079 1630 1 8 . 1 1 28 28 LEU H H 28 8.494 8.494 7.793 0.701 25079 1631 1 8 . 1 1 29 29 VAL N N 29 121.451 121.451 118.392 3.059 25079 1632 1 8 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.745 -0.281 25079 1633 1 8 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.095 1.587 25079 1634 1 8 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.125 0.047 25079 1635 1 8 . 1 1 29 29 VAL H H 29 8.696 8.696 7.954 0.742 25079 1636 1 8 . 1 1 30 30 LEU N N 30 119.811 119.811 120.879 -1.068 25079 1637 1 8 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.868 0.033 25079 1638 1 8 . 1 1 30 30 LEU CA C 30 58.783 58.783 58.336 0.447 25079 1639 1 8 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.819 -0.304 25079 1640 1 8 . 1 1 30 30 LEU H H 30 8.534 8.534 7.780 0.754 25079 1641 1 8 . 1 1 31 31 LEU N N 31 117.365 117.365 117.902 -0.537 25079 1642 1 8 . 1 1 31 31 LEU HA H 31 3.946 3.946 3.899 0.047 25079 1643 1 8 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.613 -0.170 25079 1644 1 8 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.651 0.151 25079 1645 1 8 . 1 1 31 31 LEU H H 31 8.770 8.770 7.960 0.810 25079 1646 1 8 . 1 1 32 32 THR N N 32 116.494 116.494 113.545 2.949 25079 1647 1 8 . 1 1 32 32 THR HA H 32 4.311 4.311 3.882 0.429 25079 1648 1 8 . 1 1 32 32 THR CA C 32 68.534 68.534 66.142 2.392 25079 1649 1 8 . 1 1 32 32 THR CB C 32 67.727 67.727 68.557 -0.830 25079 1650 1 8 . 1 1 32 32 THR H H 32 8.016 8.016 7.765 0.251 25079 1651 1 8 . 1 1 33 33 VAL N N 33 120.644 120.644 122.336 -1.692 25079 1652 1 8 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.713 -0.214 25079 1653 1 8 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.517 1.088 25079 1654 1 8 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.133 0.335 25079 1655 1 8 . 1 1 33 33 VAL H H 33 8.430 8.430 8.245 0.185 25079 1656 1 8 . 1 1 34 34 LEU N N 34 118.815 118.815 120.695 -1.880 25079 1657 1 8 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.914 0.080 25079 1658 1 8 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.413 0.019 25079 1659 1 8 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.085 0.458 25079 1660 1 8 . 1 1 34 34 LEU H H 34 8.424 8.424 7.571 0.853 25079 1661 1 8 . 1 1 35 35 ALA N N 35 122.308 122.308 122.560 -0.252 25079 1662 1 8 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.001 -0.008 25079 1663 1 8 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.319 0.385 25079 1664 1 8 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.123 0.323 25079 1665 1 8 . 1 1 35 35 ALA H H 35 8.646 8.646 8.031 0.615 25079 1666 1 8 . 1 1 36 36 LEU N N 36 118.240 118.240 119.572 -1.332 25079 1667 1 8 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.008 0.050 25079 1668 1 8 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.806 0.272 25079 1669 1 8 . 1 1 36 36 LEU CB C 36 42.030 42.030 40.917 1.113 25079 1670 1 8 . 1 1 36 36 LEU H H 36 8.442 8.442 8.208 0.234 25079 1671 1 8 . 1 1 37 37 LEU N N 37 117.383 117.383 120.047 -2.664 25079 1672 1 8 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.942 0.146 25079 1673 1 8 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.539 -0.873 25079 1674 1 8 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.318 0.785 25079 1675 1 8 . 1 1 37 37 LEU H H 37 8.499 8.499 8.434 0.065 25079 1676 1 8 . 1 1 38 38 SER N N 38 113.837 113.837 114.729 -0.892 25079 1677 1 8 . 1 1 38 38 SER HA H 38 4.235 4.235 4.104 0.131 25079 1678 1 8 . 1 1 38 38 SER CA C 38 61.318 61.318 61.781 -0.463 25079 1679 1 8 . 1 1 38 38 SER CB C 38 63.438 63.438 63.001 0.437 25079 1680 1 8 . 1 1 38 38 SER H H 38 8.155 8.155 8.534 -0.379 25079 1681 1 8 . 1 1 39 39 HIS N N 39 119.819 119.819 120.577 -0.758 25079 1682 1 8 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.399 0.378 25079 1683 1 8 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.450 -2.139 25079 1684 1 8 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.829 0.964 25079 1685 1 8 . 1 1 39 39 HIS H H 39 8.017 8.017 8.242 -0.225 25079 1686 1 8 . 1 1 40 40 ARG N N 40 119.165 119.165 120.112 -0.947 25079 1687 1 8 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.856 -1.087 25079 1688 1 8 . 1 1 40 40 ARG H H 40 7.785 7.785 8.660 -0.875 25079 1689 1 8 . 1 1 41 41 ARG N N 41 119.761 119.761 118.968 0.793 25079 1690 1 8 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.075 0.041 25079 1691 1 8 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.133 -0.222 25079 1692 1 8 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.106 -0.531 25079 1693 1 8 . 1 1 41 41 ARG H H 41 8.358 8.358 8.117 0.241 25079 1694 1 8 . 1 1 42 42 ALA N N 42 121.554 121.554 122.375 -0.821 25079 1695 1 8 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.057 0.147 25079 1696 1 8 . 1 1 42 42 ALA CA C 42 54.191 54.191 54.956 -0.765 25079 1697 1 8 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.201 0.328 25079 1698 1 8 . 1 1 42 42 ALA H H 42 8.098 8.098 7.766 0.332 25079 1699 1 8 . 1 1 43 43 LEU N N 43 117.383 117.383 119.202 -1.819 25079 1700 1 8 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.035 0.026 25079 1701 1 8 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.847 -0.536 25079 1702 1 8 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.843 0.642 25079 1703 1 8 . 1 1 43 43 LEU H H 43 7.986 7.986 8.215 -0.229 25079 1704 1 8 . 1 1 44 44 LYS N N 44 118.908 118.908 118.519 0.389 25079 1705 1 8 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.952 0.091 25079 1706 1 8 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.671 0.231 25079 1707 1 8 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.190 0.440 25079 1708 1 8 . 1 1 44 44 LYS H H 44 8.258 8.258 8.006 0.252 25079 1709 1 8 . 1 1 45 45 GLN N N 45 115.858 115.858 119.215 -3.357 25079 1710 1 8 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.382 -0.260 25079 1711 1 8 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.212 -0.819 25079 1712 1 8 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.993 -0.346 25079 1713 1 8 . 1 1 45 45 GLN H H 45 7.764 7.764 7.774 -0.010 25079 1714 1 8 . 1 1 46 46 LYS N N 46 117.155 117.155 117.861 -0.706 25079 1715 1 8 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.109 0.068 25079 1716 1 8 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.947 -1.814 25079 1717 1 8 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.854 0.153 25079 1718 1 8 . 1 1 46 46 LYS H H 46 7.620 7.620 7.761 -0.141 25079 1719 1 8 . 1 1 47 47 ILE N N 47 116.662 116.662 116.226 0.436 25079 1720 1 8 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.255 -0.508 25079 1721 1 8 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.157 0.532 25079 1722 1 8 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.713 -3.039 25079 1723 1 8 . 1 1 47 47 ILE H H 47 7.570 7.570 7.648 -0.078 25079 1724 1 8 . 1 1 48 48 TRP N N 48 118.880 118.880 122.493 -3.613 25079 1725 1 8 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.056 -0.060 25079 1726 1 8 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.509 1.084 25079 1727 1 8 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.983 -2.190 25079 1728 1 8 . 1 1 48 48 TRP H H 48 8.001 8.001 8.071 -0.070 25079 1729 1 9 . 1 1 2 2 SER CB C 2 63.463 63.463 64.357 -0.894 25079 1730 1 9 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.297 0.145 25079 1731 1 9 . 1 1 4 4 PRO CA C 4 63.352 63.352 64.782 -1.431 25079 1732 1 9 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.061 0.854 25079 1733 1 9 . 1 1 5 5 VAL N N 5 119.530 119.530 111.556 7.974 25079 1734 1 9 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.356 -0.291 25079 1735 1 9 . 1 1 5 5 VAL CA C 5 62.546 62.546 61.682 0.864 25079 1736 1 9 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.533 -0.081 25079 1737 1 9 . 1 1 5 5 VAL H H 5 8.193 8.193 7.197 0.996 25079 1738 1 9 . 1 1 6 6 SER N N 6 118.536 118.536 112.455 6.081 25079 1739 1 9 . 1 1 6 6 SER HA H 6 4.474 4.474 3.989 0.485 25079 1740 1 9 . 1 1 6 6 SER CA C 6 58.259 58.259 59.650 -1.391 25079 1741 1 9 . 1 1 6 6 SER CB C 6 64.180 64.180 61.858 2.322 25079 1742 1 9 . 1 1 6 6 SER H H 6 8.246 8.246 8.194 0.052 25079 1743 1 9 . 1 1 7 7 LEU N N 7 124.072 124.072 123.218 0.854 25079 1744 1 9 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.510 -0.242 25079 1745 1 9 . 1 1 7 7 LEU CA C 7 55.879 55.879 54.026 1.853 25079 1746 1 9 . 1 1 7 7 LEU CB C 7 42.888 42.888 43.813 -0.925 25079 1747 1 9 . 1 1 7 7 LEU H H 7 8.428 8.428 8.133 0.295 25079 1748 1 9 . 1 1 8 8 LEU N N 8 118.780 118.780 121.038 -2.258 25079 1749 1 9 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.056 0.328 25079 1750 1 9 . 1 1 8 8 LEU CA C 8 54.808 54.808 55.558 -0.750 25079 1751 1 9 . 1 1 8 8 LEU CB C 8 42.968 42.968 41.898 1.070 25079 1752 1 9 . 1 1 8 8 LEU H H 8 7.911 7.911 8.387 -0.476 25079 1753 1 9 . 1 1 9 9 THR N N 9 114.528 114.528 113.128 1.400 25079 1754 1 9 . 1 1 9 9 THR CA C 9 59.552 59.552 59.236 0.316 25079 1755 1 9 . 1 1 9 9 THR CB C 9 69.588 69.588 69.275 0.313 25079 1756 1 9 . 1 1 9 9 THR H H 9 8.030 8.030 7.938 0.092 25079 1757 1 9 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.333 0.036 25079 1758 1 9 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.642 -0.436 25079 1759 1 9 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.518 0.409 25079 1760 1 9 . 1 1 11 11 SER N N 11 113.430 113.430 111.899 1.531 25079 1761 1 9 . 1 1 11 11 SER HA H 11 4.293 4.293 4.244 0.049 25079 1762 1 9 . 1 1 11 11 SER CA C 11 59.677 59.677 60.215 -0.539 25079 1763 1 9 . 1 1 11 11 SER CB C 11 63.851 63.851 62.641 1.210 25079 1764 1 9 . 1 1 11 11 SER H H 11 8.217 8.217 8.262 -0.045 25079 1765 1 9 . 1 1 12 12 ASP N N 12 120.212 120.212 120.524 -0.312 25079 1766 1 9 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.822 -0.196 25079 1767 1 9 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.381 1.328 25079 1768 1 9 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.914 -0.461 25079 1769 1 9 . 1 1 12 12 ASP H H 12 8.122 8.122 7.615 0.507 25079 1770 1 9 . 1 1 13 13 LEU N N 13 120.144 120.144 122.899 -2.755 25079 1771 1 9 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.190 0.146 25079 1772 1 9 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.631 -1.043 25079 1773 1 9 . 1 1 13 13 LEU CB C 13 43.298 43.298 39.864 3.433 25079 1774 1 9 . 1 1 13 13 LEU H H 13 7.719 7.719 7.633 0.086 25079 1775 1 9 . 1 1 14 14 ASP N N 14 123.659 123.659 126.806 -3.147 25079 1776 1 9 . 1 1 14 14 ASP CA C 14 53.538 53.538 52.061 1.477 25079 1777 1 9 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.506 0.665 25079 1778 1 9 . 1 1 14 14 ASP H H 14 8.289 8.289 8.439 -0.150 25079 1779 1 9 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.449 -0.197 25079 1780 1 9 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.053 1.478 25079 1781 1 9 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.238 0.086 25079 1782 1 9 . 1 1 16 16 LEU N N 16 120.965 120.965 119.951 1.014 25079 1783 1 9 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.045 0.130 25079 1784 1 9 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.815 0.637 25079 1785 1 9 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.274 0.061 25079 1786 1 9 . 1 1 16 16 LEU H H 16 8.639 8.639 8.035 0.604 25079 1787 1 9 . 1 1 17 17 ILE N N 17 118.865 118.865 114.279 4.586 25079 1788 1 9 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.777 -0.071 25079 1789 1 9 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.201 0.132 25079 1790 1 9 . 1 1 17 17 ILE CB C 17 36.708 36.708 36.949 -0.241 25079 1791 1 9 . 1 1 17 17 ILE H H 17 7.831 7.831 7.829 0.002 25079 1792 1 9 . 1 1 18 18 LEU N N 18 121.654 121.654 120.832 0.822 25079 1793 1 9 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.045 -0.042 25079 1794 1 9 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.674 -0.005 25079 1795 1 9 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.753 -0.025 25079 1796 1 9 . 1 1 18 18 LEU H H 18 8.229 8.229 7.916 0.313 25079 1797 1 9 . 1 1 19 19 THR N N 19 115.361 115.361 115.753 -0.392 25079 1798 1 9 . 1 1 19 19 THR HA H 19 4.252 4.252 4.054 0.198 25079 1799 1 9 . 1 1 19 19 THR CA C 19 68.380 68.380 66.085 2.295 25079 1800 1 9 . 1 1 19 19 THR CB C 19 67.094 67.094 68.440 -1.346 25079 1801 1 9 . 1 1 19 19 THR H H 19 7.951 7.951 7.599 0.352 25079 1802 1 9 . 1 1 20 20 LEU N N 20 119.190 119.190 122.244 -3.054 25079 1803 1 9 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.049 -0.087 25079 1804 1 9 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.800 0.513 25079 1805 1 9 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.901 -0.093 25079 1806 1 9 . 1 1 20 20 LEU H H 20 8.334 8.334 7.544 0.790 25079 1807 1 9 . 1 1 21 21 SER N N 21 114.597 114.597 115.185 -0.588 25079 1808 1 9 . 1 1 21 21 SER HA H 21 4.027 4.027 4.184 -0.157 25079 1809 1 9 . 1 1 21 21 SER CA C 21 63.605 63.605 61.758 1.847 25079 1810 1 9 . 1 1 21 21 SER CB C 21 63.022 63.022 63.147 -0.125 25079 1811 1 9 . 1 1 21 21 SER H H 21 8.195 8.195 8.409 -0.214 25079 1812 1 9 . 1 1 22 22 LEU N N 22 120.987 120.987 122.332 -1.345 25079 1813 1 9 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.002 -0.006 25079 1814 1 9 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.144 -0.010 25079 1815 1 9 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.366 0.236 25079 1816 1 9 . 1 1 22 22 LEU H H 22 7.881 7.881 7.727 0.154 25079 1817 1 9 . 1 1 23 23 ILE N N 23 118.022 118.022 115.659 2.363 25079 1818 1 9 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.703 -0.223 25079 1819 1 9 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.727 1.041 25079 1820 1 9 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.339 -0.076 25079 1821 1 9 . 1 1 23 23 ILE H H 23 7.987 7.987 7.483 0.504 25079 1822 1 9 . 1 1 24 24 LEU N N 24 118.701 118.701 122.243 -3.542 25079 1823 1 9 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.088 -0.163 25079 1824 1 9 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.066 0.520 25079 1825 1 9 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.679 0.942 25079 1826 1 9 . 1 1 24 24 LEU H H 24 8.174 8.174 7.738 0.436 25079 1827 1 9 . 1 1 25 25 VAL N N 25 117.708 117.708 119.058 -1.350 25079 1828 1 9 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.774 0.653 25079 1829 1 9 . 1 1 25 25 VAL CA C 25 67.708 67.708 65.649 2.059 25079 1830 1 9 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.693 0.846 25079 1831 1 9 . 1 1 25 25 VAL H H 25 8.118 8.118 8.488 -0.370 25079 1832 1 9 . 1 1 26 26 VAL N N 26 118.872 118.872 121.159 -2.287 25079 1833 1 9 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.746 -0.373 25079 1834 1 9 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.201 1.651 25079 1835 1 9 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.118 -0.148 25079 1836 1 9 . 1 1 26 26 VAL H H 26 8.140 8.140 7.943 0.197 25079 1837 1 9 . 1 1 27 27 ILE N N 27 118.715 118.715 120.875 -2.160 25079 1838 1 9 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.764 -0.237 25079 1839 1 9 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.170 1.752 25079 1840 1 9 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.087 0.240 25079 1841 1 9 . 1 1 27 27 ILE H H 27 8.336 8.336 8.409 -0.073 25079 1842 1 9 . 1 1 28 28 LEU N N 28 119.343 119.343 120.655 -1.312 25079 1843 1 9 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.955 0.026 25079 1844 1 9 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.440 0.186 25079 1845 1 9 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.939 0.476 25079 1846 1 9 . 1 1 28 28 LEU H H 28 8.494 8.494 7.621 0.873 25079 1847 1 9 . 1 1 29 29 VAL N N 29 121.451 121.451 118.495 2.956 25079 1848 1 9 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.617 -0.153 25079 1849 1 9 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.534 1.148 25079 1850 1 9 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.742 -0.570 25079 1851 1 9 . 1 1 29 29 VAL H H 29 8.696 8.696 7.550 1.146 25079 1852 1 9 . 1 1 30 30 LEU N N 30 119.811 119.811 120.560 -0.749 25079 1853 1 9 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.993 -0.092 25079 1854 1 9 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.811 0.972 25079 1855 1 9 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.853 -0.338 25079 1856 1 9 . 1 1 30 30 LEU H H 30 8.534 8.534 8.204 0.330 25079 1857 1 9 . 1 1 31 31 LEU N N 31 117.365 117.365 119.578 -2.213 25079 1858 1 9 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.029 -0.083 25079 1859 1 9 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.137 0.306 25079 1860 1 9 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.324 0.478 25079 1861 1 9 . 1 1 31 31 LEU H H 31 8.770 8.770 8.288 0.482 25079 1862 1 9 . 1 1 32 32 THR N N 32 116.494 116.494 113.181 3.313 25079 1863 1 9 . 1 1 32 32 THR HA H 32 4.311 4.311 3.901 0.410 25079 1864 1 9 . 1 1 32 32 THR CA C 32 68.534 68.534 66.387 2.147 25079 1865 1 9 . 1 1 32 32 THR CB C 32 67.727 67.727 68.663 -0.936 25079 1866 1 9 . 1 1 32 32 THR H H 32 8.016 8.016 7.726 0.290 25079 1867 1 9 . 1 1 33 33 VAL N N 33 120.644 120.644 121.814 -1.170 25079 1868 1 9 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.777 -0.278 25079 1869 1 9 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.619 0.986 25079 1870 1 9 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.015 0.453 25079 1871 1 9 . 1 1 33 33 VAL H H 33 8.430 8.430 8.063 0.367 25079 1872 1 9 . 1 1 34 34 LEU N N 34 118.815 118.815 121.061 -2.246 25079 1873 1 9 . 1 1 34 34 LEU HA H 34 3.994 3.994 4.023 -0.029 25079 1874 1 9 . 1 1 34 34 LEU CA C 34 58.433 58.433 57.950 0.483 25079 1875 1 9 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.092 0.451 25079 1876 1 9 . 1 1 34 34 LEU H H 34 8.424 8.424 7.590 0.834 25079 1877 1 9 . 1 1 35 35 ALA N N 35 122.308 122.308 122.803 -0.495 25079 1878 1 9 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.041 -0.048 25079 1879 1 9 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.050 0.654 25079 1880 1 9 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.235 0.211 25079 1881 1 9 . 1 1 35 35 ALA H H 35 8.646 8.646 7.936 0.710 25079 1882 1 9 . 1 1 36 36 LEU N N 36 118.240 118.240 119.777 -1.537 25079 1883 1 9 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.984 0.074 25079 1884 1 9 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.827 0.251 25079 1885 1 9 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.070 -0.040 25079 1886 1 9 . 1 1 36 36 LEU H H 36 8.442 8.442 8.169 0.273 25079 1887 1 9 . 1 1 37 37 LEU N N 37 117.383 117.383 119.400 -2.017 25079 1888 1 9 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.905 0.183 25079 1889 1 9 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.461 -0.795 25079 1890 1 9 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.481 0.622 25079 1891 1 9 . 1 1 37 37 LEU H H 37 8.499 8.499 7.961 0.538 25079 1892 1 9 . 1 1 38 38 SER N N 38 113.837 113.837 115.035 -1.198 25079 1893 1 9 . 1 1 38 38 SER HA H 38 4.235 4.235 4.046 0.189 25079 1894 1 9 . 1 1 38 38 SER CA C 38 61.318 61.318 62.023 -0.705 25079 1895 1 9 . 1 1 38 38 SER CB C 38 63.438 63.438 62.910 0.527 25079 1896 1 9 . 1 1 38 38 SER H H 38 8.155 8.155 8.421 -0.266 25079 1897 1 9 . 1 1 39 39 HIS N N 39 119.819 119.819 122.682 -2.863 25079 1898 1 9 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.359 0.418 25079 1899 1 9 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.415 -2.104 25079 1900 1 9 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.961 0.832 25079 1901 1 9 . 1 1 39 39 HIS H H 39 8.017 8.017 8.074 -0.057 25079 1902 1 9 . 1 1 40 40 ARG N N 40 119.165 119.165 119.505 -0.340 25079 1903 1 9 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.230 -0.461 25079 1904 1 9 . 1 1 40 40 ARG H H 40 7.785 7.785 8.473 -0.688 25079 1905 1 9 . 1 1 41 41 ARG N N 41 119.761 119.761 120.079 -0.318 25079 1906 1 9 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.060 0.056 25079 1907 1 9 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.343 -0.432 25079 1908 1 9 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.074 -0.499 25079 1909 1 9 . 1 1 41 41 ARG H H 41 8.358 8.358 8.195 0.163 25079 1910 1 9 . 1 1 42 42 ALA N N 42 121.554 121.554 122.088 -0.534 25079 1911 1 9 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.003 0.201 25079 1912 1 9 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.021 -0.830 25079 1913 1 9 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.349 0.180 25079 1914 1 9 . 1 1 42 42 ALA H H 42 8.098 8.098 7.941 0.157 25079 1915 1 9 . 1 1 43 43 LEU N N 43 117.383 117.383 119.361 -1.978 25079 1916 1 9 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.920 0.141 25079 1917 1 9 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.981 -0.670 25079 1918 1 9 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.626 0.859 25079 1919 1 9 . 1 1 43 43 LEU H H 43 7.986 7.986 7.693 0.293 25079 1920 1 9 . 1 1 44 44 LYS N N 44 118.908 118.908 118.475 0.433 25079 1921 1 9 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.940 0.103 25079 1922 1 9 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.573 0.329 25079 1923 1 9 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.256 0.374 25079 1924 1 9 . 1 1 44 44 LYS H H 44 8.258 8.258 7.914 0.344 25079 1925 1 9 . 1 1 45 45 GLN N N 45 115.858 115.858 119.094 -3.236 25079 1926 1 9 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.356 -0.234 25079 1927 1 9 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.227 -0.834 25079 1928 1 9 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.981 -0.334 25079 1929 1 9 . 1 1 45 45 GLN H H 45 7.764 7.764 7.758 0.006 25079 1930 1 9 . 1 1 46 46 LYS N N 46 117.155 117.155 117.744 -0.589 25079 1931 1 9 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.120 0.057 25079 1932 1 9 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.975 -1.842 25079 1933 1 9 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.899 0.108 25079 1934 1 9 . 1 1 46 46 LYS H H 46 7.620 7.620 7.969 -0.349 25079 1935 1 9 . 1 1 47 47 ILE N N 47 116.662 116.662 116.643 0.019 25079 1936 1 9 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.192 -0.445 25079 1937 1 9 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.052 0.637 25079 1938 1 9 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.515 -2.841 25079 1939 1 9 . 1 1 47 47 ILE H H 47 7.570 7.570 7.576 -0.006 25079 1940 1 9 . 1 1 48 48 TRP N N 48 118.880 118.880 122.441 -3.561 25079 1941 1 9 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.093 -0.097 25079 1942 1 9 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.405 1.188 25079 1943 1 9 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.020 -1.227 25079 1944 1 9 . 1 1 48 48 TRP H H 48 8.001 8.001 8.064 -0.063 25079 1945 1 10 . 1 1 2 2 SER CB C 2 63.463 63.463 64.238 -0.775 25079 1946 1 10 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.521 -0.079 25079 1947 1 10 . 1 1 4 4 PRO CA C 4 63.352 63.352 62.829 0.523 25079 1948 1 10 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.492 0.423 25079 1949 1 10 . 1 1 5 5 VAL N N 5 119.530 119.530 120.955 -1.425 25079 1950 1 10 . 1 1 5 5 VAL HA H 5 4.065 4.065 3.887 0.178 25079 1951 1 10 . 1 1 5 5 VAL CA C 5 62.546 62.546 64.047 -1.501 25079 1952 1 10 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.932 0.520 25079 1953 1 10 . 1 1 5 5 VAL H H 5 8.193 8.193 7.855 0.338 25079 1954 1 10 . 1 1 6 6 SER N N 6 118.536 118.536 121.644 -3.108 25079 1955 1 10 . 1 1 6 6 SER HA H 6 4.474 4.474 4.179 0.295 25079 1956 1 10 . 1 1 6 6 SER CA C 6 58.259 58.259 59.768 -1.509 25079 1957 1 10 . 1 1 6 6 SER CB C 6 64.180 64.180 61.849 2.331 25079 1958 1 10 . 1 1 6 6 SER H H 6 8.246 8.246 8.857 -0.611 25079 1959 1 10 . 1 1 7 7 LEU N N 7 124.072 124.072 118.662 5.410 25079 1960 1 10 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.503 -0.235 25079 1961 1 10 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.046 -0.167 25079 1962 1 10 . 1 1 7 7 LEU CB C 7 42.888 42.888 44.099 -1.211 25079 1963 1 10 . 1 1 7 7 LEU H H 7 8.428 8.428 7.788 0.640 25079 1964 1 10 . 1 1 8 8 LEU N N 8 118.780 118.780 120.646 -1.866 25079 1965 1 10 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.604 -0.220 25079 1966 1 10 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.329 0.479 25079 1967 1 10 . 1 1 8 8 LEU CB C 8 42.968 42.968 43.053 -0.086 25079 1968 1 10 . 1 1 8 8 LEU H H 8 7.911 7.911 7.462 0.449 25079 1969 1 10 . 1 1 9 9 THR N N 9 114.528 114.528 117.127 -2.599 25079 1970 1 10 . 1 1 9 9 THR CA C 9 59.552 59.552 58.101 1.451 25079 1971 1 10 . 1 1 9 9 THR CB C 9 69.588 69.588 70.758 -1.170 25079 1972 1 10 . 1 1 9 9 THR H H 9 8.030 8.030 8.234 -0.204 25079 1973 1 10 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.326 0.043 25079 1974 1 10 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.907 -0.701 25079 1975 1 10 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.934 -0.007 25079 1976 1 10 . 1 1 11 11 SER N N 11 113.430 113.430 113.267 0.163 25079 1977 1 10 . 1 1 11 11 SER HA H 11 4.293 4.293 4.289 0.004 25079 1978 1 10 . 1 1 11 11 SER CA C 11 59.677 59.677 59.974 -0.297 25079 1979 1 10 . 1 1 11 11 SER CB C 11 63.851 63.851 63.085 0.766 25079 1980 1 10 . 1 1 11 11 SER H H 11 8.217 8.217 7.873 0.344 25079 1981 1 10 . 1 1 12 12 ASP N N 12 120.212 120.212 121.505 -1.293 25079 1982 1 10 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.820 -0.194 25079 1983 1 10 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.206 1.503 25079 1984 1 10 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.790 -0.337 25079 1985 1 10 . 1 1 12 12 ASP H H 12 8.122 8.122 7.642 0.480 25079 1986 1 10 . 1 1 13 13 LEU N N 13 120.144 120.144 123.801 -3.657 25079 1987 1 10 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.191 0.145 25079 1988 1 10 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.784 -1.196 25079 1989 1 10 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.012 2.286 25079 1990 1 10 . 1 1 13 13 LEU H H 13 7.719 7.719 7.579 0.140 25079 1991 1 10 . 1 1 14 14 ASP N N 14 123.659 123.659 126.578 -2.919 25079 1992 1 10 . 1 1 14 14 ASP CA C 14 53.538 53.538 52.282 1.256 25079 1993 1 10 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.187 0.984 25079 1994 1 10 . 1 1 14 14 ASP H H 14 8.289 8.289 8.705 -0.416 25079 1995 1 10 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.449 -0.197 25079 1996 1 10 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.740 0.790 25079 1997 1 10 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.222 0.102 25079 1998 1 10 . 1 1 16 16 LEU N N 16 120.965 120.965 119.803 1.162 25079 1999 1 10 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.028 0.147 25079 2000 1 10 . 1 1 16 16 LEU CA C 16 58.452 58.452 58.462 -0.010 25079 2001 1 10 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.374 -0.039 25079 2002 1 10 . 1 1 16 16 LEU H H 16 8.639 8.639 7.844 0.795 25079 2003 1 10 . 1 1 17 17 ILE N N 17 118.865 118.865 118.673 0.192 25079 2004 1 10 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.875 -0.169 25079 2005 1 10 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.676 0.657 25079 2006 1 10 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.000 -0.292 25079 2007 1 10 . 1 1 17 17 ILE H H 17 7.831 7.831 7.994 -0.163 25079 2008 1 10 . 1 1 18 18 LEU N N 18 121.654 121.654 120.831 0.823 25079 2009 1 10 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.967 0.036 25079 2010 1 10 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.325 0.344 25079 2011 1 10 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.866 -0.138 25079 2012 1 10 . 1 1 18 18 LEU H H 18 8.229 8.229 7.617 0.612 25079 2013 1 10 . 1 1 19 19 THR N N 19 115.361 115.361 116.394 -1.033 25079 2014 1 10 . 1 1 19 19 THR HA H 19 4.252 4.252 4.036 0.216 25079 2015 1 10 . 1 1 19 19 THR CA C 19 68.380 68.380 67.179 1.201 25079 2016 1 10 . 1 1 19 19 THR CB C 19 67.094 67.094 68.869 -1.775 25079 2017 1 10 . 1 1 19 19 THR H H 19 7.951 7.951 7.732 0.219 25079 2018 1 10 . 1 1 20 20 LEU N N 20 119.190 119.190 121.629 -2.439 25079 2019 1 10 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.123 -0.161 25079 2020 1 10 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.467 0.846 25079 2021 1 10 . 1 1 20 20 LEU CB C 20 41.808 41.808 42.013 -0.205 25079 2022 1 10 . 1 1 20 20 LEU H H 20 8.334 8.334 7.551 0.783 25079 2023 1 10 . 1 1 21 21 SER N N 21 114.597 114.597 115.253 -0.656 25079 2024 1 10 . 1 1 21 21 SER HA H 21 4.027 4.027 4.193 -0.166 25079 2025 1 10 . 1 1 21 21 SER CA C 21 63.605 63.605 61.827 1.778 25079 2026 1 10 . 1 1 21 21 SER CB C 21 63.022 63.022 63.142 -0.119 25079 2027 1 10 . 1 1 21 21 SER H H 21 8.195 8.195 8.398 -0.203 25079 2028 1 10 . 1 1 22 22 LEU N N 22 120.987 120.987 122.988 -2.001 25079 2029 1 10 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.974 0.022 25079 2030 1 10 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.157 -0.023 25079 2031 1 10 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.083 -0.481 25079 2032 1 10 . 1 1 22 22 LEU H H 22 7.881 7.881 7.711 0.170 25079 2033 1 10 . 1 1 23 23 ILE N N 23 118.022 118.022 115.552 2.470 25079 2034 1 10 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.763 -0.283 25079 2035 1 10 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.456 1.312 25079 2036 1 10 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.438 -0.175 25079 2037 1 10 . 1 1 23 23 ILE H H 23 7.987 7.987 7.446 0.541 25079 2038 1 10 . 1 1 24 24 LEU N N 24 118.701 118.701 121.944 -3.243 25079 2039 1 10 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.054 -0.129 25079 2040 1 10 . 1 1 24 24 LEU CA C 24 58.586 58.586 57.840 0.746 25079 2041 1 10 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.898 0.723 25079 2042 1 10 . 1 1 24 24 LEU H H 24 8.174 8.174 7.590 0.584 25079 2043 1 10 . 1 1 25 25 VAL N N 25 117.708 117.708 118.752 -1.044 25079 2044 1 10 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.604 0.823 25079 2045 1 10 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.753 0.955 25079 2046 1 10 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.625 -0.086 25079 2047 1 10 . 1 1 25 25 VAL H H 25 8.118 8.118 8.516 -0.398 25079 2048 1 10 . 1 1 26 26 VAL N N 26 118.872 118.872 120.623 -1.751 25079 2049 1 10 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.655 -0.282 25079 2050 1 10 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.877 0.975 25079 2051 1 10 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.368 -0.398 25079 2052 1 10 . 1 1 26 26 VAL H H 26 8.140 8.140 7.566 0.574 25079 2053 1 10 . 1 1 27 27 ILE N N 27 118.715 118.715 119.924 -1.209 25079 2054 1 10 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.796 -0.269 25079 2055 1 10 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.258 1.664 25079 2056 1 10 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.626 -0.299 25079 2057 1 10 . 1 1 27 27 ILE H H 27 8.336 8.336 7.609 0.727 25079 2058 1 10 . 1 1 28 28 LEU N N 28 119.343 119.343 121.866 -2.523 25079 2059 1 10 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.996 -0.015 25079 2060 1 10 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.253 0.373 25079 2061 1 10 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.725 0.690 25079 2062 1 10 . 1 1 28 28 LEU H H 28 8.494 8.494 7.672 0.822 25079 2063 1 10 . 1 1 29 29 VAL N N 29 121.451 121.451 118.591 2.860 25079 2064 1 10 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.651 -0.187 25079 2065 1 10 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.879 0.803 25079 2066 1 10 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.287 -0.115 25079 2067 1 10 . 1 1 29 29 VAL H H 29 8.696 8.696 7.897 0.799 25079 2068 1 10 . 1 1 30 30 LEU N N 30 119.811 119.811 120.318 -0.507 25079 2069 1 10 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.962 -0.061 25079 2070 1 10 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.767 1.016 25079 2071 1 10 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.640 -0.125 25079 2072 1 10 . 1 1 30 30 LEU H H 30 8.534 8.534 7.716 0.818 25079 2073 1 10 . 1 1 31 31 LEU N N 31 117.365 117.365 119.423 -2.058 25079 2074 1 10 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.054 -0.108 25079 2075 1 10 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.330 0.113 25079 2076 1 10 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.592 1.210 25079 2077 1 10 . 1 1 31 31 LEU H H 31 8.770 8.770 8.046 0.724 25079 2078 1 10 . 1 1 32 32 THR N N 32 116.494 116.494 114.013 2.481 25079 2079 1 10 . 1 1 32 32 THR HA H 32 4.311 4.311 3.959 0.352 25079 2080 1 10 . 1 1 32 32 THR CA C 32 68.534 68.534 66.056 2.478 25079 2081 1 10 . 1 1 32 32 THR CB C 32 67.727 67.727 68.188 -0.461 25079 2082 1 10 . 1 1 32 32 THR H H 32 8.016 8.016 7.786 0.230 25079 2083 1 10 . 1 1 33 33 VAL N N 33 120.644 120.644 122.187 -1.543 25079 2084 1 10 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.680 -0.181 25079 2085 1 10 . 1 1 33 33 VAL CA C 33 67.605 67.605 67.231 0.374 25079 2086 1 10 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.152 0.316 25079 2087 1 10 . 1 1 33 33 VAL H H 33 8.430 8.430 7.934 0.496 25079 2088 1 10 . 1 1 34 34 LEU N N 34 118.815 118.815 120.257 -1.442 25079 2089 1 10 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.929 0.065 25079 2090 1 10 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.283 0.150 25079 2091 1 10 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.425 0.118 25079 2092 1 10 . 1 1 34 34 LEU H H 34 8.424 8.424 7.675 0.749 25079 2093 1 10 . 1 1 35 35 ALA N N 35 122.308 122.308 122.407 -0.099 25079 2094 1 10 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.016 -0.023 25079 2095 1 10 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.232 0.472 25079 2096 1 10 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.183 0.263 25079 2097 1 10 . 1 1 35 35 ALA H H 35 8.646 8.646 7.957 0.689 25079 2098 1 10 . 1 1 36 36 LEU N N 36 118.240 118.240 120.217 -1.977 25079 2099 1 10 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.974 0.084 25079 2100 1 10 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.688 -0.610 25079 2101 1 10 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.041 -0.011 25079 2102 1 10 . 1 1 36 36 LEU H H 36 8.442 8.442 8.132 0.310 25079 2103 1 10 . 1 1 37 37 LEU N N 37 117.383 117.383 119.016 -1.633 25079 2104 1 10 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.933 0.155 25079 2105 1 10 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.524 -0.858 25079 2106 1 10 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.256 0.847 25079 2107 1 10 . 1 1 37 37 LEU H H 37 8.499 8.499 8.036 0.463 25079 2108 1 10 . 1 1 38 38 SER N N 38 113.837 113.837 114.673 -0.836 25079 2109 1 10 . 1 1 38 38 SER HA H 38 4.235 4.235 4.086 0.149 25079 2110 1 10 . 1 1 38 38 SER CA C 38 61.318 61.318 62.099 -0.781 25079 2111 1 10 . 1 1 38 38 SER CB C 38 63.438 63.438 62.955 0.483 25079 2112 1 10 . 1 1 38 38 SER H H 38 8.155 8.155 8.352 -0.197 25079 2113 1 10 . 1 1 39 39 HIS N N 39 119.819 119.819 121.281 -1.462 25079 2114 1 10 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.376 0.401 25079 2115 1 10 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.509 -3.198 25079 2116 1 10 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.260 0.533 25079 2117 1 10 . 1 1 39 39 HIS H H 39 8.017 8.017 8.273 -0.256 25079 2118 1 10 . 1 1 40 40 ARG N N 40 119.165 119.165 119.223 -0.058 25079 2119 1 10 . 1 1 40 40 ARG CA C 40 58.769 58.769 60.209 -1.440 25079 2120 1 10 . 1 1 40 40 ARG H H 40 7.785 7.785 8.548 -0.763 25079 2121 1 10 . 1 1 41 41 ARG N N 41 119.761 119.761 119.676 0.085 25079 2122 1 10 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.140 -0.024 25079 2123 1 10 . 1 1 41 41 ARG CA C 41 58.911 58.911 58.745 0.166 25079 2124 1 10 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.838 -0.263 25079 2125 1 10 . 1 1 41 41 ARG H H 41 8.358 8.358 8.026 0.332 25079 2126 1 10 . 1 1 42 42 ALA N N 42 121.554 121.554 122.423 -0.869 25079 2127 1 10 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.021 0.183 25079 2128 1 10 . 1 1 42 42 ALA CA C 42 54.191 54.191 54.957 -0.766 25079 2129 1 10 . 1 1 42 42 ALA CB C 42 18.529 18.529 17.955 0.574 25079 2130 1 10 . 1 1 42 42 ALA H H 42 8.098 8.098 7.928 0.170 25079 2131 1 10 . 1 1 43 43 LEU N N 43 117.383 117.383 118.868 -1.485 25079 2132 1 10 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.984 0.077 25079 2133 1 10 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.449 -0.138 25079 2134 1 10 . 1 1 43 43 LEU CB C 43 42.485 42.485 42.090 0.395 25079 2135 1 10 . 1 1 43 43 LEU H H 43 7.986 7.986 8.390 -0.404 25079 2136 1 10 . 1 1 44 44 LYS N N 44 118.908 118.908 118.357 0.551 25079 2137 1 10 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.953 0.090 25079 2138 1 10 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.619 0.283 25079 2139 1 10 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.023 0.607 25079 2140 1 10 . 1 1 44 44 LYS H H 44 8.258 8.258 7.904 0.354 25079 2141 1 10 . 1 1 45 45 GLN N N 45 115.858 115.858 119.264 -3.406 25079 2142 1 10 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.314 -0.192 25079 2143 1 10 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.192 -0.799 25079 2144 1 10 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.939 -0.292 25079 2145 1 10 . 1 1 45 45 GLN H H 45 7.764 7.764 7.886 -0.122 25079 2146 1 10 . 1 1 46 46 LYS N N 46 117.155 117.155 117.913 -0.758 25079 2147 1 10 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.100 0.077 25079 2148 1 10 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.992 -1.859 25079 2149 1 10 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.807 0.200 25079 2150 1 10 . 1 1 46 46 LYS H H 46 7.620 7.620 7.769 -0.149 25079 2151 1 10 . 1 1 47 47 ILE N N 47 116.662 116.662 116.333 0.329 25079 2152 1 10 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.198 -0.451 25079 2153 1 10 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.210 0.479 25079 2154 1 10 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.410 -2.736 25079 2155 1 10 . 1 1 47 47 ILE H H 47 7.570 7.570 7.575 -0.005 25079 2156 1 10 . 1 1 48 48 TRP N N 48 118.880 118.880 122.570 -3.690 25079 2157 1 10 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.075 -0.079 25079 2158 1 10 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.465 1.128 25079 2159 1 10 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.689 -1.896 25079 2160 1 10 . 1 1 48 48 TRP H H 48 8.001 8.001 8.277 -0.276 25079 2161 1 11 . 1 1 2 2 SER CB C 2 63.463 63.463 63.518 -0.055 25079 2162 1 11 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.488 -0.046 25079 2163 1 11 . 1 1 4 4 PRO CA C 4 63.352 63.352 62.978 0.374 25079 2164 1 11 . 1 1 4 4 PRO CB C 4 31.915 31.915 32.715 -0.800 25079 2165 1 11 . 1 1 5 5 VAL N N 5 119.530 119.530 120.674 -1.144 25079 2166 1 11 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.216 -0.151 25079 2167 1 11 . 1 1 5 5 VAL CA C 5 62.546 62.546 61.938 0.608 25079 2168 1 11 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.667 0.785 25079 2169 1 11 . 1 1 5 5 VAL H H 5 8.193 8.193 8.121 0.072 25079 2170 1 11 . 1 1 6 6 SER N N 6 118.536 118.536 116.606 1.930 25079 2171 1 11 . 1 1 6 6 SER HA H 6 4.474 4.474 4.272 0.202 25079 2172 1 11 . 1 1 6 6 SER CA C 6 58.259 58.259 58.578 -0.319 25079 2173 1 11 . 1 1 6 6 SER CB C 6 64.180 64.180 63.258 0.922 25079 2174 1 11 . 1 1 6 6 SER H H 6 8.246 8.246 8.022 0.224 25079 2175 1 11 . 1 1 7 7 LEU N N 7 124.072 124.072 125.450 -1.378 25079 2176 1 11 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.439 -0.171 25079 2177 1 11 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.239 0.640 25079 2178 1 11 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.791 0.097 25079 2179 1 11 . 1 1 7 7 LEU H H 7 8.428 8.428 8.208 0.220 25079 2180 1 11 . 1 1 8 8 LEU N N 8 118.780 118.780 120.924 -2.144 25079 2181 1 11 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.816 -0.432 25079 2182 1 11 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.615 0.193 25079 2183 1 11 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.877 0.090 25079 2184 1 11 . 1 1 8 8 LEU H H 8 7.911 7.911 8.596 -0.685 25079 2185 1 11 . 1 1 9 9 THR N N 9 114.528 114.528 111.647 2.881 25079 2186 1 11 . 1 1 9 9 THR CA C 9 59.552 59.552 59.280 0.272 25079 2187 1 11 . 1 1 9 9 THR CB C 9 69.588 69.588 69.089 0.499 25079 2188 1 11 . 1 1 9 9 THR H H 9 8.030 8.030 7.898 0.132 25079 2189 1 11 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.371 -0.002 25079 2190 1 11 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.435 -0.229 25079 2191 1 11 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.622 0.305 25079 2192 1 11 . 1 1 11 11 SER N N 11 113.430 113.430 111.899 1.531 25079 2193 1 11 . 1 1 11 11 SER HA H 11 4.293 4.293 4.291 0.002 25079 2194 1 11 . 1 1 11 11 SER CA C 11 59.677 59.677 59.763 -0.086 25079 2195 1 11 . 1 1 11 11 SER CB C 11 63.851 63.851 62.908 0.943 25079 2196 1 11 . 1 1 11 11 SER H H 11 8.217 8.217 8.251 -0.034 25079 2197 1 11 . 1 1 12 12 ASP N N 12 120.212 120.212 120.077 0.135 25079 2198 1 11 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.840 -0.214 25079 2199 1 11 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.559 1.150 25079 2200 1 11 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.072 -0.619 25079 2201 1 11 . 1 1 12 12 ASP H H 12 8.122 8.122 7.754 0.368 25079 2202 1 11 . 1 1 13 13 LEU N N 13 120.144 120.144 122.734 -2.590 25079 2203 1 11 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.259 0.077 25079 2204 1 11 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.736 -1.148 25079 2205 1 11 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.147 2.151 25079 2206 1 11 . 1 1 13 13 LEU H H 13 7.719 7.719 7.746 -0.027 25079 2207 1 11 . 1 1 14 14 ASP N N 14 123.659 123.659 125.030 -1.371 25079 2208 1 11 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.597 1.941 25079 2209 1 11 . 1 1 14 14 ASP CB C 14 43.171 43.171 43.155 0.016 25079 2210 1 11 . 1 1 14 14 ASP H H 14 8.289 8.289 8.402 -0.113 25079 2211 1 11 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.328 -0.076 25079 2212 1 11 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.173 0.358 25079 2213 1 11 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.038 0.286 25079 2214 1 11 . 1 1 16 16 LEU N N 16 120.965 120.965 119.762 1.203 25079 2215 1 11 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.018 0.157 25079 2216 1 11 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.860 0.592 25079 2217 1 11 . 1 1 16 16 LEU CB C 16 41.335 41.335 40.841 0.494 25079 2218 1 11 . 1 1 16 16 LEU H H 16 8.639 8.639 8.006 0.633 25079 2219 1 11 . 1 1 17 17 ILE N N 17 118.865 118.865 118.703 0.162 25079 2220 1 11 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.842 -0.136 25079 2221 1 11 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.396 0.937 25079 2222 1 11 . 1 1 17 17 ILE CB C 17 36.708 36.708 36.965 -0.257 25079 2223 1 11 . 1 1 17 17 ILE H H 17 7.831 7.831 7.858 -0.027 25079 2224 1 11 . 1 1 18 18 LEU N N 18 121.654 121.654 120.869 0.785 25079 2225 1 11 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.971 0.032 25079 2226 1 11 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.566 0.103 25079 2227 1 11 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.784 -0.056 25079 2228 1 11 . 1 1 18 18 LEU H H 18 8.229 8.229 7.753 0.476 25079 2229 1 11 . 1 1 19 19 THR N N 19 115.361 115.361 116.330 -0.969 25079 2230 1 11 . 1 1 19 19 THR HA H 19 4.252 4.252 4.067 0.185 25079 2231 1 11 . 1 1 19 19 THR CA C 19 68.380 68.380 67.097 1.284 25079 2232 1 11 . 1 1 19 19 THR CB C 19 67.094 67.094 68.665 -1.571 25079 2233 1 11 . 1 1 19 19 THR H H 19 7.951 7.951 7.897 0.054 25079 2234 1 11 . 1 1 20 20 LEU N N 20 119.190 119.190 121.382 -2.192 25079 2235 1 11 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.176 -0.214 25079 2236 1 11 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.157 1.156 25079 2237 1 11 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.874 -0.066 25079 2238 1 11 . 1 1 20 20 LEU H H 20 8.334 8.334 7.631 0.703 25079 2239 1 11 . 1 1 21 21 SER N N 21 114.597 114.597 115.863 -1.266 25079 2240 1 11 . 1 1 21 21 SER HA H 21 4.027 4.027 4.184 -0.157 25079 2241 1 11 . 1 1 21 21 SER CA C 21 63.605 63.605 61.960 1.645 25079 2242 1 11 . 1 1 21 21 SER CB C 21 63.022 63.022 63.024 -0.002 25079 2243 1 11 . 1 1 21 21 SER H H 21 8.195 8.195 8.484 -0.289 25079 2244 1 11 . 1 1 22 22 LEU N N 22 120.987 120.987 122.188 -1.201 25079 2245 1 11 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.953 0.043 25079 2246 1 11 . 1 1 22 22 LEU CA C 22 58.134 58.134 57.897 0.237 25079 2247 1 11 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.039 -0.437 25079 2248 1 11 . 1 1 22 22 LEU H H 22 7.881 7.881 7.728 0.153 25079 2249 1 11 . 1 1 23 23 ILE N N 23 118.022 118.022 117.086 0.936 25079 2250 1 11 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.707 -0.227 25079 2251 1 11 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.419 1.349 25079 2252 1 11 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.502 -0.239 25079 2253 1 11 . 1 1 23 23 ILE H H 23 7.987 7.987 7.250 0.737 25079 2254 1 11 . 1 1 24 24 LEU N N 24 118.701 118.701 121.815 -3.114 25079 2255 1 11 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.021 -0.096 25079 2256 1 11 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.257 0.329 25079 2257 1 11 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.407 0.213 25079 2258 1 11 . 1 1 24 24 LEU H H 24 8.174 8.174 7.927 0.247 25079 2259 1 11 . 1 1 25 25 VAL N N 25 117.708 117.708 118.913 -1.205 25079 2260 1 11 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.595 0.832 25079 2261 1 11 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.680 1.028 25079 2262 1 11 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.460 0.079 25079 2263 1 11 . 1 1 25 25 VAL H H 25 8.118 8.118 8.564 -0.446 25079 2264 1 11 . 1 1 26 26 VAL N N 26 118.872 118.872 120.220 -1.348 25079 2265 1 11 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.633 -0.260 25079 2266 1 11 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.771 1.081 25079 2267 1 11 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.407 -0.437 25079 2268 1 11 . 1 1 26 26 VAL H H 26 8.140 8.140 7.540 0.600 25079 2269 1 11 . 1 1 27 27 ILE N N 27 118.715 118.715 117.015 1.700 25079 2270 1 11 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.726 -0.199 25079 2271 1 11 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.875 1.047 25079 2272 1 11 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.310 0.017 25079 2273 1 11 . 1 1 27 27 ILE H H 27 8.336 8.336 7.953 0.383 25079 2274 1 11 . 1 1 28 28 LEU N N 28 119.343 119.343 122.132 -2.789 25079 2275 1 11 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.942 0.039 25079 2276 1 11 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.231 0.395 25079 2277 1 11 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.604 0.811 25079 2278 1 11 . 1 1 28 28 LEU H H 28 8.494 8.494 7.936 0.558 25079 2279 1 11 . 1 1 29 29 VAL N N 29 121.451 121.451 117.910 3.541 25079 2280 1 11 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.728 -0.264 25079 2281 1 11 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.184 1.498 25079 2282 1 11 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.008 0.164 25079 2283 1 11 . 1 1 29 29 VAL H H 29 8.696 8.696 7.767 0.929 25079 2284 1 11 . 1 1 30 30 LEU N N 30 119.811 119.811 120.551 -0.740 25079 2285 1 11 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.937 -0.036 25079 2286 1 11 . 1 1 30 30 LEU CA C 30 58.783 58.783 58.009 0.774 25079 2287 1 11 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.717 -0.202 25079 2288 1 11 . 1 1 30 30 LEU H H 30 8.534 8.534 7.430 1.104 25079 2289 1 11 . 1 1 31 31 LEU N N 31 117.365 117.365 119.190 -1.825 25079 2290 1 11 . 1 1 31 31 LEU HA H 31 3.946 3.946 3.971 -0.025 25079 2291 1 11 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.779 -0.336 25079 2292 1 11 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.437 0.365 25079 2293 1 11 . 1 1 31 31 LEU H H 31 8.770 8.770 8.291 0.479 25079 2294 1 11 . 1 1 32 32 THR N N 32 116.494 116.494 113.862 2.632 25079 2295 1 11 . 1 1 32 32 THR HA H 32 4.311 4.311 3.913 0.398 25079 2296 1 11 . 1 1 32 32 THR CA C 32 68.534 68.534 66.469 2.065 25079 2297 1 11 . 1 1 32 32 THR CB C 32 67.727 67.727 68.488 -0.761 25079 2298 1 11 . 1 1 32 32 THR H H 32 8.016 8.016 7.769 0.247 25079 2299 1 11 . 1 1 33 33 VAL N N 33 120.644 120.644 122.198 -1.554 25079 2300 1 11 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.618 -0.119 25079 2301 1 11 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.569 1.036 25079 2302 1 11 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.648 -0.180 25079 2303 1 11 . 1 1 33 33 VAL H H 33 8.430 8.430 7.863 0.567 25079 2304 1 11 . 1 1 34 34 LEU N N 34 118.815 118.815 120.203 -1.388 25079 2305 1 11 . 1 1 34 34 LEU HA H 34 3.994 3.994 4.014 -0.020 25079 2306 1 11 . 1 1 34 34 LEU CA C 34 58.433 58.433 57.806 0.626 25079 2307 1 11 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.114 0.429 25079 2308 1 11 . 1 1 34 34 LEU H H 34 8.424 8.424 7.672 0.752 25079 2309 1 11 . 1 1 35 35 ALA N N 35 122.308 122.308 122.441 -0.133 25079 2310 1 11 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.001 -0.008 25079 2311 1 11 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.326 0.378 25079 2312 1 11 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.063 0.383 25079 2313 1 11 . 1 1 35 35 ALA H H 35 8.646 8.646 8.520 0.126 25079 2314 1 11 . 1 1 36 36 LEU N N 36 118.240 118.240 119.776 -1.536 25079 2315 1 11 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.922 0.136 25079 2316 1 11 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.876 0.202 25079 2317 1 11 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.136 -0.106 25079 2318 1 11 . 1 1 36 36 LEU H H 36 8.442 8.442 8.029 0.413 25079 2319 1 11 . 1 1 37 37 LEU N N 37 117.383 117.383 119.052 -1.669 25079 2320 1 11 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.836 0.252 25079 2321 1 11 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.275 -0.609 25079 2322 1 11 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.651 0.452 25079 2323 1 11 . 1 1 37 37 LEU H H 37 8.499 8.499 7.857 0.642 25079 2324 1 11 . 1 1 38 38 SER N N 38 113.837 113.837 115.224 -1.387 25079 2325 1 11 . 1 1 38 38 SER HA H 38 4.235 4.235 4.109 0.126 25079 2326 1 11 . 1 1 38 38 SER CA C 38 61.318 61.318 62.453 -1.135 25079 2327 1 11 . 1 1 38 38 SER CB C 38 63.438 63.438 62.904 0.534 25079 2328 1 11 . 1 1 38 38 SER H H 38 8.155 8.155 8.471 -0.316 25079 2329 1 11 . 1 1 39 39 HIS N N 39 119.819 119.819 121.136 -1.317 25079 2330 1 11 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.371 0.406 25079 2331 1 11 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.153 -2.842 25079 2332 1 11 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.243 0.550 25079 2333 1 11 . 1 1 39 39 HIS H H 39 8.017 8.017 7.996 0.021 25079 2334 1 11 . 1 1 40 40 ARG N N 40 119.165 119.165 119.697 -0.532 25079 2335 1 11 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.868 -1.099 25079 2336 1 11 . 1 1 40 40 ARG H H 40 7.785 7.785 8.177 -0.392 25079 2337 1 11 . 1 1 41 41 ARG N N 41 119.761 119.761 119.452 0.309 25079 2338 1 11 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.105 0.011 25079 2339 1 11 . 1 1 41 41 ARG CA C 41 58.911 58.911 58.705 0.206 25079 2340 1 11 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.871 -0.296 25079 2341 1 11 . 1 1 41 41 ARG H H 41 8.358 8.358 8.239 0.119 25079 2342 1 11 . 1 1 42 42 ALA N N 42 121.554 121.554 122.382 -0.828 25079 2343 1 11 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.056 0.148 25079 2344 1 11 . 1 1 42 42 ALA CA C 42 54.191 54.191 54.971 -0.780 25079 2345 1 11 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.031 0.498 25079 2346 1 11 . 1 1 42 42 ALA H H 42 8.098 8.098 8.121 -0.023 25079 2347 1 11 . 1 1 43 43 LEU N N 43 117.383 117.383 119.099 -1.716 25079 2348 1 11 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.817 0.244 25079 2349 1 11 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.937 -0.626 25079 2350 1 11 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.896 0.589 25079 2351 1 11 . 1 1 43 43 LEU H H 43 7.986 7.986 8.239 -0.253 25079 2352 1 11 . 1 1 44 44 LYS N N 44 118.908 118.908 117.897 1.011 25079 2353 1 11 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.938 0.105 25079 2354 1 11 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.684 0.218 25079 2355 1 11 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.088 0.542 25079 2356 1 11 . 1 1 44 44 LYS H H 44 8.258 8.258 7.856 0.402 25079 2357 1 11 . 1 1 45 45 GLN N N 45 115.858 115.858 119.518 -3.660 25079 2358 1 11 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.218 -0.096 25079 2359 1 11 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.372 -0.979 25079 2360 1 11 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.889 -0.242 25079 2361 1 11 . 1 1 45 45 GLN H H 45 7.764 7.764 7.654 0.110 25079 2362 1 11 . 1 1 46 46 LYS N N 46 117.155 117.155 117.484 -0.329 25079 2363 1 11 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.148 0.029 25079 2364 1 11 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.793 -1.660 25079 2365 1 11 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.930 0.077 25079 2366 1 11 . 1 1 46 46 LYS H H 46 7.620 7.620 7.952 -0.332 25079 2367 1 11 . 1 1 47 47 ILE N N 47 116.662 116.662 116.734 -0.072 25079 2368 1 11 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.221 -0.474 25079 2369 1 11 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.209 0.480 25079 2370 1 11 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.760 -3.086 25079 2371 1 11 . 1 1 47 47 ILE H H 47 7.570 7.570 7.656 -0.086 25079 2372 1 11 . 1 1 48 48 TRP N N 48 118.880 118.880 121.975 -3.095 25079 2373 1 11 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.023 -0.027 25079 2374 1 11 . 1 1 48 48 TRP CA C 48 55.593 55.593 55.017 0.576 25079 2375 1 11 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.450 -2.657 25079 2376 1 11 . 1 1 48 48 TRP H H 48 8.001 8.001 8.270 -0.269 25079 2377 1 12 . 1 1 2 2 SER CB C 2 63.463 63.463 63.627 -0.164 25079 2378 1 12 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.257 0.185 25079 2379 1 12 . 1 1 4 4 PRO CA C 4 63.352 63.352 64.388 -1.036 25079 2380 1 12 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.523 0.392 25079 2381 1 12 . 1 1 5 5 VAL N N 5 119.530 119.530 118.903 0.627 25079 2382 1 12 . 1 1 5 5 VAL HA H 5 4.065 4.065 3.777 0.288 25079 2383 1 12 . 1 1 5 5 VAL CA C 5 62.546 62.546 64.833 -2.287 25079 2384 1 12 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.678 0.774 25079 2385 1 12 . 1 1 5 5 VAL H H 5 8.193 8.193 7.683 0.510 25079 2386 1 12 . 1 1 6 6 SER N N 6 118.536 118.536 114.738 3.798 25079 2387 1 12 . 1 1 6 6 SER HA H 6 4.474 4.474 4.373 0.101 25079 2388 1 12 . 1 1 6 6 SER CA C 6 58.259 58.259 60.106 -1.847 25079 2389 1 12 . 1 1 6 6 SER CB C 6 64.180 64.180 62.344 1.836 25079 2390 1 12 . 1 1 6 6 SER H H 6 8.246 8.246 8.011 0.235 25079 2391 1 12 . 1 1 7 7 LEU N N 7 124.072 124.072 119.311 4.761 25079 2392 1 12 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.529 -0.261 25079 2393 1 12 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.396 -0.517 25079 2394 1 12 . 1 1 7 7 LEU CB C 7 42.888 42.888 43.284 -0.396 25079 2395 1 12 . 1 1 7 7 LEU H H 7 8.428 8.428 7.420 1.008 25079 2396 1 12 . 1 1 8 8 LEU N N 8 118.780 118.780 118.818 -0.038 25079 2397 1 12 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.483 -0.099 25079 2398 1 12 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.413 0.394 25079 2399 1 12 . 1 1 8 8 LEU CB C 8 42.968 42.968 43.541 -0.574 25079 2400 1 12 . 1 1 8 8 LEU H H 8 7.911 7.911 7.550 0.361 25079 2401 1 12 . 1 1 9 9 THR N N 9 114.528 114.528 118.244 -3.716 25079 2402 1 12 . 1 1 9 9 THR CA C 9 59.552 59.552 63.501 -3.949 25079 2403 1 12 . 1 1 9 9 THR CB C 9 69.588 69.588 68.149 1.439 25079 2404 1 12 . 1 1 9 9 THR H H 9 8.030 8.030 7.510 0.520 25079 2405 1 12 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.250 0.119 25079 2406 1 12 . 1 1 10 10 PRO CA C 10 64.206 64.206 65.236 -1.030 25079 2407 1 12 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.856 0.071 25079 2408 1 12 . 1 1 11 11 SER N N 11 113.430 113.430 111.878 1.552 25079 2409 1 12 . 1 1 11 11 SER HA H 11 4.293 4.293 4.306 -0.013 25079 2410 1 12 . 1 1 11 11 SER CA C 11 59.677 59.677 60.198 -0.521 25079 2411 1 12 . 1 1 11 11 SER CB C 11 63.851 63.851 62.675 1.175 25079 2412 1 12 . 1 1 11 11 SER H H 11 8.217 8.217 8.352 -0.135 25079 2413 1 12 . 1 1 12 12 ASP N N 12 120.212 120.212 119.886 0.326 25079 2414 1 12 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.817 -0.191 25079 2415 1 12 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.340 1.369 25079 2416 1 12 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.501 -1.048 25079 2417 1 12 . 1 1 12 12 ASP H H 12 8.122 8.122 8.001 0.121 25079 2418 1 12 . 1 1 13 13 LEU N N 13 120.144 120.144 123.808 -3.664 25079 2419 1 12 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.168 0.168 25079 2420 1 12 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.813 -1.226 25079 2421 1 12 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.058 2.240 25079 2422 1 12 . 1 1 13 13 LEU H H 13 7.719 7.719 7.559 0.160 25079 2423 1 12 . 1 1 14 14 ASP N N 14 123.659 123.659 127.617 -3.958 25079 2424 1 12 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.592 1.946 25079 2425 1 12 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.511 1.660 25079 2426 1 12 . 1 1 14 14 ASP H H 14 8.289 8.289 8.576 -0.287 25079 2427 1 12 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.226 0.026 25079 2428 1 12 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.298 0.233 25079 2429 1 12 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.904 0.420 25079 2430 1 12 . 1 1 16 16 LEU N N 16 120.965 120.965 117.786 3.179 25079 2431 1 12 . 1 1 16 16 LEU HA H 16 4.175 4.175 3.980 0.195 25079 2432 1 12 . 1 1 16 16 LEU CA C 16 58.452 58.452 58.195 0.257 25079 2433 1 12 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.309 0.026 25079 2434 1 12 . 1 1 16 16 LEU H H 16 8.639 8.639 7.772 0.867 25079 2435 1 12 . 1 1 17 17 ILE N N 17 118.865 118.865 117.923 0.942 25079 2436 1 12 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.817 -0.111 25079 2437 1 12 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.697 0.636 25079 2438 1 12 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.157 -0.449 25079 2439 1 12 . 1 1 17 17 ILE H H 17 7.831 7.831 7.813 0.018 25079 2440 1 12 . 1 1 18 18 LEU N N 18 121.654 121.654 120.418 1.236 25079 2441 1 12 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.001 0.002 25079 2442 1 12 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.924 -0.255 25079 2443 1 12 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.738 -0.010 25079 2444 1 12 . 1 1 18 18 LEU H H 18 8.229 8.229 8.364 -0.135 25079 2445 1 12 . 1 1 19 19 THR N N 19 115.361 115.361 115.790 -0.429 25079 2446 1 12 . 1 1 19 19 THR HA H 19 4.252 4.252 4.066 0.186 25079 2447 1 12 . 1 1 19 19 THR CA C 19 68.380 68.380 66.281 2.099 25079 2448 1 12 . 1 1 19 19 THR CB C 19 67.094 67.094 68.587 -1.492 25079 2449 1 12 . 1 1 19 19 THR H H 19 7.951 7.951 7.613 0.338 25079 2450 1 12 . 1 1 20 20 LEU N N 20 119.190 119.190 122.496 -3.306 25079 2451 1 12 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.222 -0.260 25079 2452 1 12 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.430 0.883 25079 2453 1 12 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.731 0.077 25079 2454 1 12 . 1 1 20 20 LEU H H 20 8.334 8.334 7.547 0.787 25079 2455 1 12 . 1 1 21 21 SER N N 21 114.597 114.597 115.318 -0.721 25079 2456 1 12 . 1 1 21 21 SER HA H 21 4.027 4.027 4.202 -0.175 25079 2457 1 12 . 1 1 21 21 SER CA C 21 63.605 63.605 61.898 1.707 25079 2458 1 12 . 1 1 21 21 SER CB C 21 63.022 63.022 63.166 -0.144 25079 2459 1 12 . 1 1 21 21 SER H H 21 8.195 8.195 8.513 -0.318 25079 2460 1 12 . 1 1 22 22 LEU N N 22 120.987 120.987 123.164 -2.177 25079 2461 1 12 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.005 -0.009 25079 2462 1 12 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.050 0.084 25079 2463 1 12 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.115 -0.513 25079 2464 1 12 . 1 1 22 22 LEU H H 22 7.881 7.881 7.771 0.110 25079 2465 1 12 . 1 1 23 23 ILE N N 23 118.022 118.022 115.905 2.117 25079 2466 1 12 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.731 -0.251 25079 2467 1 12 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.398 1.369 25079 2468 1 12 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.515 -0.252 25079 2469 1 12 . 1 1 23 23 ILE H H 23 7.987 7.987 7.542 0.445 25079 2470 1 12 . 1 1 24 24 LEU N N 24 118.701 118.701 122.184 -3.483 25079 2471 1 12 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.104 -0.179 25079 2472 1 12 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.161 0.425 25079 2473 1 12 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.374 0.247 25079 2474 1 12 . 1 1 24 24 LEU H H 24 8.174 8.174 7.595 0.579 25079 2475 1 12 . 1 1 25 25 VAL N N 25 117.708 117.708 119.428 -1.720 25079 2476 1 12 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.720 0.707 25079 2477 1 12 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.759 0.949 25079 2478 1 12 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.097 0.442 25079 2479 1 12 . 1 1 25 25 VAL H H 25 8.118 8.118 8.517 -0.399 25079 2480 1 12 . 1 1 26 26 VAL N N 26 118.872 118.872 120.797 -1.925 25079 2481 1 12 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.653 -0.280 25079 2482 1 12 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.842 1.010 25079 2483 1 12 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.391 -0.421 25079 2484 1 12 . 1 1 26 26 VAL H H 26 8.140 8.140 7.657 0.483 25079 2485 1 12 . 1 1 27 27 ILE N N 27 118.715 118.715 117.328 1.387 25079 2486 1 12 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.735 -0.208 25079 2487 1 12 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.935 0.987 25079 2488 1 12 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.314 0.013 25079 2489 1 12 . 1 1 27 27 ILE H H 27 8.336 8.336 7.677 0.659 25079 2490 1 12 . 1 1 28 28 LEU N N 28 119.343 119.343 121.784 -2.441 25079 2491 1 12 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.978 0.003 25079 2492 1 12 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.144 0.482 25079 2493 1 12 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.720 0.695 25079 2494 1 12 . 1 1 28 28 LEU H H 28 8.494 8.494 7.928 0.566 25079 2495 1 12 . 1 1 29 29 VAL N N 29 121.451 121.451 118.319 3.132 25079 2496 1 12 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.610 -0.146 25079 2497 1 12 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.819 0.863 25079 2498 1 12 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.178 -0.006 25079 2499 1 12 . 1 1 29 29 VAL H H 29 8.696 8.696 7.973 0.723 25079 2500 1 12 . 1 1 30 30 LEU N N 30 119.811 119.811 120.203 -0.392 25079 2501 1 12 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.951 -0.050 25079 2502 1 12 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.688 1.095 25079 2503 1 12 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.728 -0.214 25079 2504 1 12 . 1 1 30 30 LEU H H 30 8.534 8.534 7.714 0.820 25079 2505 1 12 . 1 1 31 31 LEU N N 31 117.365 117.365 119.093 -1.728 25079 2506 1 12 . 1 1 31 31 LEU HA H 31 3.946 3.946 3.900 0.046 25079 2507 1 12 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.398 0.045 25079 2508 1 12 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.621 0.181 25079 2509 1 12 . 1 1 31 31 LEU H H 31 8.770 8.770 8.314 0.456 25079 2510 1 12 . 1 1 32 32 THR N N 32 116.494 116.494 113.730 2.764 25079 2511 1 12 . 1 1 32 32 THR HA H 32 4.311 4.311 3.926 0.385 25079 2512 1 12 . 1 1 32 32 THR CA C 32 68.534 68.534 66.342 2.192 25079 2513 1 12 . 1 1 32 32 THR CB C 32 67.727 67.727 68.441 -0.714 25079 2514 1 12 . 1 1 32 32 THR H H 32 8.016 8.016 7.810 0.206 25079 2515 1 12 . 1 1 33 33 VAL N N 33 120.644 120.644 121.353 -0.709 25079 2516 1 12 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.651 -0.152 25079 2517 1 12 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.500 1.105 25079 2518 1 12 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.554 -0.086 25079 2519 1 12 . 1 1 33 33 VAL H H 33 8.430 8.430 7.764 0.666 25079 2520 1 12 . 1 1 34 34 LEU N N 34 118.815 118.815 120.560 -1.745 25079 2521 1 12 . 1 1 34 34 LEU HA H 34 3.994 3.994 4.004 -0.010 25079 2522 1 12 . 1 1 34 34 LEU CA C 34 58.433 58.433 57.866 0.567 25079 2523 1 12 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.233 0.310 25079 2524 1 12 . 1 1 34 34 LEU H H 34 8.424 8.424 7.571 0.853 25079 2525 1 12 . 1 1 35 35 ALA N N 35 122.308 122.308 122.381 -0.073 25079 2526 1 12 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.963 0.030 25079 2527 1 12 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.325 0.379 25079 2528 1 12 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.027 0.419 25079 2529 1 12 . 1 1 35 35 ALA H H 35 8.646 8.646 7.996 0.650 25079 2530 1 12 . 1 1 36 36 LEU N N 36 118.240 118.240 120.073 -1.833 25079 2531 1 12 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.970 0.088 25079 2532 1 12 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.019 0.059 25079 2533 1 12 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.115 -0.085 25079 2534 1 12 . 1 1 36 36 LEU H H 36 8.442 8.442 8.267 0.175 25079 2535 1 12 . 1 1 37 37 LEU N N 37 117.383 117.383 119.126 -1.743 25079 2536 1 12 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.878 0.210 25079 2537 1 12 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.348 -0.682 25079 2538 1 12 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.348 0.755 25079 2539 1 12 . 1 1 37 37 LEU H H 37 8.499 8.499 7.941 0.558 25079 2540 1 12 . 1 1 38 38 SER N N 38 113.837 113.837 114.692 -0.855 25079 2541 1 12 . 1 1 38 38 SER HA H 38 4.235 4.235 3.985 0.250 25079 2542 1 12 . 1 1 38 38 SER CA C 38 61.318 61.318 61.984 -0.666 25079 2543 1 12 . 1 1 38 38 SER CB C 38 63.438 63.438 62.979 0.459 25079 2544 1 12 . 1 1 38 38 SER H H 38 8.155 8.155 8.501 -0.346 25079 2545 1 12 . 1 1 39 39 HIS N N 39 119.819 119.819 121.010 -1.191 25079 2546 1 12 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.304 0.473 25079 2547 1 12 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.426 -2.115 25079 2548 1 12 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.151 0.642 25079 2549 1 12 . 1 1 39 39 HIS H H 39 8.017 8.017 8.277 -0.260 25079 2550 1 12 . 1 1 40 40 ARG N N 40 119.165 119.165 119.732 -0.567 25079 2551 1 12 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.698 -0.929 25079 2552 1 12 . 1 1 40 40 ARG H H 40 7.785 7.785 8.655 -0.870 25079 2553 1 12 . 1 1 41 41 ARG N N 41 119.761 119.761 119.716 0.045 25079 2554 1 12 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.160 -0.044 25079 2555 1 12 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.108 -0.197 25079 2556 1 12 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.132 -0.557 25079 2557 1 12 . 1 1 41 41 ARG H H 41 8.358 8.358 8.416 -0.058 25079 2558 1 12 . 1 1 42 42 ALA N N 42 121.554 121.554 123.019 -1.465 25079 2559 1 12 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.060 0.144 25079 2560 1 12 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.242 -1.051 25079 2561 1 12 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.446 0.083 25079 2562 1 12 . 1 1 42 42 ALA H H 42 8.098 8.098 8.102 -0.004 25079 2563 1 12 . 1 1 43 43 LEU N N 43 117.383 117.383 118.812 -1.429 25079 2564 1 12 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.148 -0.087 25079 2565 1 12 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.565 -0.254 25079 2566 1 12 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.167 1.318 25079 2567 1 12 . 1 1 43 43 LEU H H 43 7.986 7.986 8.175 -0.189 25079 2568 1 12 . 1 1 44 44 LYS N N 44 118.908 118.908 119.387 -0.479 25079 2569 1 12 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.955 0.088 25079 2570 1 12 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.705 0.197 25079 2571 1 12 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.340 0.290 25079 2572 1 12 . 1 1 44 44 LYS H H 44 8.258 8.258 7.798 0.460 25079 2573 1 12 . 1 1 45 45 GLN N N 45 115.858 115.858 118.789 -2.931 25079 2574 1 12 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.383 -0.261 25079 2575 1 12 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.338 -0.945 25079 2576 1 12 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.911 -0.264 25079 2577 1 12 . 1 1 45 45 GLN H H 45 7.764 7.764 7.845 -0.081 25079 2578 1 12 . 1 1 46 46 LYS N N 46 117.155 117.155 117.638 -0.483 25079 2579 1 12 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.132 0.045 25079 2580 1 12 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.946 -1.813 25079 2581 1 12 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.825 0.182 25079 2582 1 12 . 1 1 46 46 LYS H H 46 7.620 7.620 7.785 -0.165 25079 2583 1 12 . 1 1 47 47 ILE N N 47 116.662 116.662 116.368 0.294 25079 2584 1 12 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.204 -0.457 25079 2585 1 12 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.184 0.505 25079 2586 1 12 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.450 -2.776 25079 2587 1 12 . 1 1 47 47 ILE H H 47 7.570 7.570 7.592 -0.022 25079 2588 1 12 . 1 1 48 48 TRP N N 48 118.880 118.880 122.180 -3.300 25079 2589 1 12 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.065 -0.069 25079 2590 1 12 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.613 0.980 25079 2591 1 12 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.504 -1.711 25079 2592 1 12 . 1 1 48 48 TRP H H 48 8.001 8.001 8.189 -0.188 25079 2593 1 13 . 1 1 2 2 SER CB C 2 63.463 63.463 64.344 -0.881 25079 2594 1 13 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.433 0.009 25079 2595 1 13 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.309 0.043 25079 2596 1 13 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.585 0.330 25079 2597 1 13 . 1 1 5 5 VAL N N 5 119.530 119.530 122.370 -2.840 25079 2598 1 13 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.210 -0.145 25079 2599 1 13 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.338 0.208 25079 2600 1 13 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.679 -0.227 25079 2601 1 13 . 1 1 5 5 VAL H H 5 8.193 8.193 8.245 -0.052 25079 2602 1 13 . 1 1 6 6 SER N N 6 118.536 118.536 115.851 2.685 25079 2603 1 13 . 1 1 6 6 SER HA H 6 4.474 4.474 4.289 0.185 25079 2604 1 13 . 1 1 6 6 SER CA C 6 58.259 58.259 58.641 -0.382 25079 2605 1 13 . 1 1 6 6 SER CB C 6 64.180 64.180 62.744 1.436 25079 2606 1 13 . 1 1 6 6 SER H H 6 8.246 8.246 8.221 0.025 25079 2607 1 13 . 1 1 7 7 LEU N N 7 124.072 124.072 123.163 0.909 25079 2608 1 13 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.257 0.011 25079 2609 1 13 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.141 0.738 25079 2610 1 13 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.530 0.358 25079 2611 1 13 . 1 1 7 7 LEU H H 7 8.428 8.428 7.864 0.564 25079 2612 1 13 . 1 1 8 8 LEU N N 8 118.780 118.780 120.527 -1.747 25079 2613 1 13 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.196 0.188 25079 2614 1 13 . 1 1 8 8 LEU CA C 8 54.808 54.808 56.221 -1.413 25079 2615 1 13 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.791 0.177 25079 2616 1 13 . 1 1 8 8 LEU H H 8 7.911 7.911 8.256 -0.345 25079 2617 1 13 . 1 1 9 9 THR N N 9 114.528 114.528 114.932 -0.404 25079 2618 1 13 . 1 1 9 9 THR CA C 9 59.552 59.552 59.392 0.160 25079 2619 1 13 . 1 1 9 9 THR CB C 9 69.588 69.588 70.164 -0.576 25079 2620 1 13 . 1 1 9 9 THR H H 9 8.030 8.030 7.982 0.048 25079 2621 1 13 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.441 -0.072 25079 2622 1 13 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.746 -0.540 25079 2623 1 13 . 1 1 10 10 PRO CB C 10 31.927 31.927 32.024 -0.097 25079 2624 1 13 . 1 1 11 11 SER N N 11 113.430 113.430 114.262 -0.832 25079 2625 1 13 . 1 1 11 11 SER HA H 11 4.293 4.293 4.270 0.023 25079 2626 1 13 . 1 1 11 11 SER CA C 11 59.677 59.677 60.007 -0.330 25079 2627 1 13 . 1 1 11 11 SER CB C 11 63.851 63.851 63.230 0.621 25079 2628 1 13 . 1 1 11 11 SER H H 11 8.217 8.217 8.056 0.161 25079 2629 1 13 . 1 1 12 12 ASP N N 12 120.212 120.212 119.845 0.367 25079 2630 1 13 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.816 -0.190 25079 2631 1 13 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.420 1.288 25079 2632 1 13 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.553 -1.101 25079 2633 1 13 . 1 1 12 12 ASP H H 12 8.122 8.122 7.644 0.478 25079 2634 1 13 . 1 1 13 13 LEU N N 13 120.144 120.144 123.216 -3.072 25079 2635 1 13 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.178 0.158 25079 2636 1 13 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.836 -1.248 25079 2637 1 13 . 1 1 13 13 LEU CB C 13 43.298 43.298 39.718 3.580 25079 2638 1 13 . 1 1 13 13 LEU H H 13 7.719 7.719 7.733 -0.014 25079 2639 1 13 . 1 1 14 14 ASP N N 14 123.659 123.659 126.161 -2.502 25079 2640 1 13 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.725 1.813 25079 2641 1 13 . 1 1 14 14 ASP CB C 14 43.171 43.171 43.051 0.120 25079 2642 1 13 . 1 1 14 14 ASP H H 14 8.289 8.289 8.643 -0.354 25079 2643 1 13 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.290 -0.038 25079 2644 1 13 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.892 0.639 25079 2645 1 13 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.079 0.245 25079 2646 1 13 . 1 1 16 16 LEU N N 16 120.965 120.965 119.034 1.931 25079 2647 1 13 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.026 0.149 25079 2648 1 13 . 1 1 16 16 LEU CA C 16 58.452 58.452 58.617 -0.165 25079 2649 1 13 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.439 -0.104 25079 2650 1 13 . 1 1 16 16 LEU H H 16 8.639 8.639 7.891 0.748 25079 2651 1 13 . 1 1 17 17 ILE N N 17 118.865 118.865 118.914 -0.049 25079 2652 1 13 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.802 -0.096 25079 2653 1 13 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.841 0.492 25079 2654 1 13 . 1 1 17 17 ILE CB C 17 36.708 36.708 36.997 -0.289 25079 2655 1 13 . 1 1 17 17 ILE H H 17 7.831 7.831 7.897 -0.066 25079 2656 1 13 . 1 1 18 18 LEU N N 18 121.654 121.654 119.761 1.893 25079 2657 1 13 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.023 -0.020 25079 2658 1 13 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.749 -0.080 25079 2659 1 13 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.844 -0.116 25079 2660 1 13 . 1 1 18 18 LEU H H 18 8.229 8.229 7.942 0.287 25079 2661 1 13 . 1 1 19 19 THR N N 19 115.361 115.361 116.033 -0.672 25079 2662 1 13 . 1 1 19 19 THR HA H 19 4.252 4.252 4.032 0.220 25079 2663 1 13 . 1 1 19 19 THR CA C 19 68.380 68.380 66.276 2.103 25079 2664 1 13 . 1 1 19 19 THR CB C 19 67.094 67.094 68.445 -1.351 25079 2665 1 13 . 1 1 19 19 THR H H 19 7.951 7.951 7.772 0.179 25079 2666 1 13 . 1 1 20 20 LEU N N 20 119.190 119.190 121.996 -2.806 25079 2667 1 13 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.118 -0.156 25079 2668 1 13 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.638 0.675 25079 2669 1 13 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.925 -0.117 25079 2670 1 13 . 1 1 20 20 LEU H H 20 8.334 8.334 7.669 0.665 25079 2671 1 13 . 1 1 21 21 SER N N 21 114.597 114.597 115.961 -1.364 25079 2672 1 13 . 1 1 21 21 SER HA H 21 4.027 4.027 4.181 -0.154 25079 2673 1 13 . 1 1 21 21 SER CA C 21 63.605 63.605 61.703 1.902 25079 2674 1 13 . 1 1 21 21 SER CB C 21 63.022 63.022 62.818 0.204 25079 2675 1 13 . 1 1 21 21 SER H H 21 8.195 8.195 8.602 -0.407 25079 2676 1 13 . 1 1 22 22 LEU N N 22 120.987 120.987 121.933 -0.946 25079 2677 1 13 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.008 -0.012 25079 2678 1 13 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.188 -0.054 25079 2679 1 13 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.364 0.238 25079 2680 1 13 . 1 1 22 22 LEU H H 22 7.881 7.881 7.789 0.092 25079 2681 1 13 . 1 1 23 23 ILE N N 23 118.022 118.022 116.983 1.039 25079 2682 1 13 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.666 -0.186 25079 2683 1 13 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.608 1.160 25079 2684 1 13 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.396 -0.133 25079 2685 1 13 . 1 1 23 23 ILE H H 23 7.987 7.987 7.205 0.782 25079 2686 1 13 . 1 1 24 24 LEU N N 24 118.701 118.701 121.891 -3.190 25079 2687 1 13 . 1 1 24 24 LEU HA H 24 3.925 3.925 3.999 -0.074 25079 2688 1 13 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.313 0.272 25079 2689 1 13 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.253 0.368 25079 2690 1 13 . 1 1 24 24 LEU H H 24 8.174 8.174 8.300 -0.126 25079 2691 1 13 . 1 1 25 25 VAL N N 25 117.708 117.708 118.800 -1.092 25079 2692 1 13 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.662 0.765 25079 2693 1 13 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.535 1.173 25079 2694 1 13 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.208 0.331 25079 2695 1 13 . 1 1 25 25 VAL H H 25 8.118 8.118 8.525 -0.407 25079 2696 1 13 . 1 1 26 26 VAL N N 26 118.872 118.872 120.192 -1.320 25079 2697 1 13 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.558 -0.185 25079 2698 1 13 . 1 1 26 26 VAL CA C 26 67.852 67.852 67.211 0.641 25079 2699 1 13 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.744 -0.774 25079 2700 1 13 . 1 1 26 26 VAL H H 26 8.140 8.140 7.452 0.688 25079 2701 1 13 . 1 1 27 27 ILE N N 27 118.715 118.715 117.331 1.384 25079 2702 1 13 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.679 -0.152 25079 2703 1 13 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.786 1.136 25079 2704 1 13 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.299 0.028 25079 2705 1 13 . 1 1 27 27 ILE H H 27 8.336 8.336 7.896 0.440 25079 2706 1 13 . 1 1 28 28 LEU N N 28 119.343 119.343 121.907 -2.564 25079 2707 1 13 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.944 0.037 25079 2708 1 13 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.162 0.464 25079 2709 1 13 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.567 0.848 25079 2710 1 13 . 1 1 28 28 LEU H H 28 8.494 8.494 7.915 0.579 25079 2711 1 13 . 1 1 29 29 VAL N N 29 121.451 121.451 118.230 3.221 25079 2712 1 13 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.698 -0.234 25079 2713 1 13 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.366 1.316 25079 2714 1 13 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.086 0.086 25079 2715 1 13 . 1 1 29 29 VAL H H 29 8.696 8.696 7.744 0.952 25079 2716 1 13 . 1 1 30 30 LEU N N 30 119.811 119.811 120.430 -0.619 25079 2717 1 13 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.923 -0.022 25079 2718 1 13 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.941 0.842 25079 2719 1 13 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.731 -0.216 25079 2720 1 13 . 1 1 30 30 LEU H H 30 8.534 8.534 7.427 1.107 25079 2721 1 13 . 1 1 31 31 LEU N N 31 117.365 117.365 119.202 -1.837 25079 2722 1 13 . 1 1 31 31 LEU HA H 31 3.946 3.946 3.990 -0.044 25079 2723 1 13 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.578 -0.135 25079 2724 1 13 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.430 0.372 25079 2725 1 13 . 1 1 31 31 LEU H H 31 8.770 8.770 8.091 0.679 25079 2726 1 13 . 1 1 32 32 THR N N 32 116.494 116.494 114.025 2.469 25079 2727 1 13 . 1 1 32 32 THR HA H 32 4.311 4.311 3.920 0.391 25079 2728 1 13 . 1 1 32 32 THR CA C 32 68.534 68.534 66.305 2.229 25079 2729 1 13 . 1 1 32 32 THR CB C 32 67.727 67.727 68.534 -0.807 25079 2730 1 13 . 1 1 32 32 THR H H 32 8.016 8.016 7.798 0.218 25079 2731 1 13 . 1 1 33 33 VAL N N 33 120.644 120.644 122.559 -1.915 25079 2732 1 13 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.706 -0.207 25079 2733 1 13 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.725 0.880 25079 2734 1 13 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.299 0.169 25079 2735 1 13 . 1 1 33 33 VAL H H 33 8.430 8.430 7.865 0.565 25079 2736 1 13 . 1 1 34 34 LEU N N 34 118.815 118.815 120.336 -1.521 25079 2737 1 13 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.947 0.047 25079 2738 1 13 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.187 0.246 25079 2739 1 13 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.118 0.425 25079 2740 1 13 . 1 1 34 34 LEU H H 34 8.424 8.424 7.620 0.803 25079 2741 1 13 . 1 1 35 35 ALA N N 35 122.308 122.308 122.433 -0.125 25079 2742 1 13 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.986 0.007 25079 2743 1 13 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.289 0.415 25079 2744 1 13 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.043 0.404 25079 2745 1 13 . 1 1 35 35 ALA H H 35 8.646 8.646 8.168 0.478 25079 2746 1 13 . 1 1 36 36 LEU N N 36 118.240 118.240 119.712 -1.472 25079 2747 1 13 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.894 0.164 25079 2748 1 13 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.950 0.128 25079 2749 1 13 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.114 -0.084 25079 2750 1 13 . 1 1 36 36 LEU H H 36 8.442 8.442 8.193 0.249 25079 2751 1 13 . 1 1 37 37 LEU N N 37 117.383 117.383 119.171 -1.788 25079 2752 1 13 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.840 0.248 25079 2753 1 13 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.391 -0.725 25079 2754 1 13 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.608 0.495 25079 2755 1 13 . 1 1 37 37 LEU H H 37 8.499 8.499 7.924 0.575 25079 2756 1 13 . 1 1 38 38 SER N N 38 113.837 113.837 114.828 -0.991 25079 2757 1 13 . 1 1 38 38 SER HA H 38 4.235 4.235 4.150 0.085 25079 2758 1 13 . 1 1 38 38 SER CA C 38 61.318 61.318 62.009 -0.691 25079 2759 1 13 . 1 1 38 38 SER CB C 38 63.438 63.438 62.886 0.552 25079 2760 1 13 . 1 1 38 38 SER H H 38 8.155 8.155 8.428 -0.273 25079 2761 1 13 . 1 1 39 39 HIS N N 39 119.819 119.819 121.288 -1.469 25079 2762 1 13 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.445 0.332 25079 2763 1 13 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.577 -2.266 25079 2764 1 13 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.072 0.721 25079 2765 1 13 . 1 1 39 39 HIS H H 39 8.017 8.017 8.185 -0.168 25079 2766 1 13 . 1 1 40 40 ARG N N 40 119.165 119.165 120.050 -0.885 25079 2767 1 13 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.957 -1.188 25079 2768 1 13 . 1 1 40 40 ARG H H 40 7.785 7.785 8.428 -0.643 25079 2769 1 13 . 1 1 41 41 ARG N N 41 119.761 119.761 118.722 1.039 25079 2770 1 13 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.081 0.035 25079 2771 1 13 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.032 -0.122 25079 2772 1 13 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.110 -0.535 25079 2773 1 13 . 1 1 41 41 ARG H H 41 8.358 8.358 8.108 0.250 25079 2774 1 13 . 1 1 42 42 ALA N N 42 121.554 121.554 122.839 -1.285 25079 2775 1 13 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.018 0.186 25079 2776 1 13 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.010 -0.819 25079 2777 1 13 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.354 0.175 25079 2778 1 13 . 1 1 42 42 ALA H H 42 8.098 8.098 7.897 0.201 25079 2779 1 13 . 1 1 43 43 LEU N N 43 117.383 117.383 119.275 -1.892 25079 2780 1 13 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.975 0.086 25079 2781 1 13 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.904 -0.593 25079 2782 1 13 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.690 0.795 25079 2783 1 13 . 1 1 43 43 LEU H H 43 7.986 7.986 8.007 -0.021 25079 2784 1 13 . 1 1 44 44 LYS N N 44 118.908 118.908 118.646 0.262 25079 2785 1 13 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.917 0.126 25079 2786 1 13 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.391 0.511 25079 2787 1 13 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.261 0.369 25079 2788 1 13 . 1 1 44 44 LYS H H 44 8.258 8.258 7.806 0.452 25079 2789 1 13 . 1 1 45 45 GLN N N 45 115.858 115.858 118.952 -3.094 25079 2790 1 13 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.408 -0.286 25079 2791 1 13 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.188 -0.795 25079 2792 1 13 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.962 -0.315 25079 2793 1 13 . 1 1 45 45 GLN H H 45 7.764 7.764 7.702 0.062 25079 2794 1 13 . 1 1 46 46 LYS N N 46 117.155 117.155 117.764 -0.609 25079 2795 1 13 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.124 0.053 25079 2796 1 13 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.897 -1.764 25079 2797 1 13 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.894 0.113 25079 2798 1 13 . 1 1 46 46 LYS H H 46 7.620 7.620 7.781 -0.161 25079 2799 1 13 . 1 1 47 47 ILE N N 47 116.662 116.662 116.049 0.613 25079 2800 1 13 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.224 -0.477 25079 2801 1 13 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.092 0.597 25079 2802 1 13 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.703 -3.029 25079 2803 1 13 . 1 1 47 47 ILE H H 47 7.570 7.570 7.656 -0.086 25079 2804 1 13 . 1 1 48 48 TRP N N 48 118.880 118.880 122.366 -3.486 25079 2805 1 13 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.031 -0.035 25079 2806 1 13 . 1 1 48 48 TRP CA C 48 55.593 55.593 55.018 0.575 25079 2807 1 13 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.589 -2.796 25079 2808 1 13 . 1 1 48 48 TRP H H 48 8.001 8.001 7.999 0.002 25079 2809 1 14 . 1 1 2 2 SER CB C 2 63.463 63.463 64.278 -0.816 25079 2810 1 14 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.327 0.115 25079 2811 1 14 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.245 0.107 25079 2812 1 14 . 1 1 4 4 PRO CB C 4 31.915 31.915 32.298 -0.383 25079 2813 1 14 . 1 1 5 5 VAL N N 5 119.530 119.530 115.942 3.588 25079 2814 1 14 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.340 -0.275 25079 2815 1 14 . 1 1 5 5 VAL CA C 5 62.546 62.546 61.649 0.897 25079 2816 1 14 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.940 -0.488 25079 2817 1 14 . 1 1 5 5 VAL H H 5 8.193 8.193 8.072 0.121 25079 2818 1 14 . 1 1 6 6 SER N N 6 118.536 118.536 119.471 -0.935 25079 2819 1 14 . 1 1 6 6 SER HA H 6 4.474 4.474 4.502 -0.028 25079 2820 1 14 . 1 1 6 6 SER CA C 6 58.259 58.259 58.481 -0.222 25079 2821 1 14 . 1 1 6 6 SER CB C 6 64.180 64.180 63.223 0.957 25079 2822 1 14 . 1 1 6 6 SER H H 6 8.246 8.246 8.533 -0.287 25079 2823 1 14 . 1 1 7 7 LEU N N 7 124.072 124.072 121.263 2.809 25079 2824 1 14 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.466 -0.198 25079 2825 1 14 . 1 1 7 7 LEU CA C 7 55.879 55.879 54.153 1.726 25079 2826 1 14 . 1 1 7 7 LEU CB C 7 42.888 42.888 43.374 -0.486 25079 2827 1 14 . 1 1 7 7 LEU H H 7 8.428 8.428 7.363 1.065 25079 2828 1 14 . 1 1 8 8 LEU N N 8 118.780 118.780 118.236 0.544 25079 2829 1 14 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.801 -0.417 25079 2830 1 14 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.490 0.318 25079 2831 1 14 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.722 0.246 25079 2832 1 14 . 1 1 8 8 LEU H H 8 7.911 7.911 8.186 -0.275 25079 2833 1 14 . 1 1 9 9 THR N N 9 114.528 114.528 112.449 2.079 25079 2834 1 14 . 1 1 9 9 THR CA C 9 59.552 59.552 58.175 1.377 25079 2835 1 14 . 1 1 9 9 THR CB C 9 69.588 69.588 70.945 -1.357 25079 2836 1 14 . 1 1 9 9 THR H H 9 8.030 8.030 7.869 0.161 25079 2837 1 14 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.377 -0.008 25079 2838 1 14 . 1 1 10 10 PRO CA C 10 64.206 64.206 65.020 -0.814 25079 2839 1 14 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.994 -0.066 25079 2840 1 14 . 1 1 11 11 SER N N 11 113.430 113.430 113.383 0.047 25079 2841 1 14 . 1 1 11 11 SER HA H 11 4.293 4.293 4.321 -0.028 25079 2842 1 14 . 1 1 11 11 SER CA C 11 59.677 59.677 59.933 -0.256 25079 2843 1 14 . 1 1 11 11 SER CB C 11 63.851 63.851 62.967 0.885 25079 2844 1 14 . 1 1 11 11 SER H H 11 8.217 8.217 7.930 0.287 25079 2845 1 14 . 1 1 12 12 ASP N N 12 120.212 120.212 119.882 0.330 25079 2846 1 14 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.785 -0.159 25079 2847 1 14 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.252 1.457 25079 2848 1 14 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.735 -0.282 25079 2849 1 14 . 1 1 12 12 ASP H H 12 8.122 8.122 7.540 0.582 25079 2850 1 14 . 1 1 13 13 LEU N N 13 120.144 120.144 123.724 -3.580 25079 2851 1 14 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.172 0.164 25079 2852 1 14 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.682 -1.094 25079 2853 1 14 . 1 1 13 13 LEU CB C 13 43.298 43.298 40.961 2.337 25079 2854 1 14 . 1 1 13 13 LEU H H 13 7.719 7.719 7.592 0.127 25079 2855 1 14 . 1 1 14 14 ASP N N 14 123.659 123.659 126.628 -2.969 25079 2856 1 14 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.840 1.698 25079 2857 1 14 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.440 0.731 25079 2858 1 14 . 1 1 14 14 ASP H H 14 8.289 8.289 8.579 -0.290 25079 2859 1 14 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.415 -0.163 25079 2860 1 14 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.268 1.263 25079 2861 1 14 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.201 0.123 25079 2862 1 14 . 1 1 16 16 LEU N N 16 120.965 120.965 119.069 1.896 25079 2863 1 14 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.008 0.167 25079 2864 1 14 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.597 0.855 25079 2865 1 14 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.824 -0.489 25079 2866 1 14 . 1 1 16 16 LEU H H 16 8.639 8.639 7.811 0.828 25079 2867 1 14 . 1 1 17 17 ILE N N 17 118.865 118.865 117.560 1.305 25079 2868 1 14 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.832 -0.126 25079 2869 1 14 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.417 0.916 25079 2870 1 14 . 1 1 17 17 ILE CB C 17 36.708 36.708 36.916 -0.208 25079 2871 1 14 . 1 1 17 17 ILE H H 17 7.831 7.831 8.103 -0.272 25079 2872 1 14 . 1 1 18 18 LEU N N 18 121.654 121.654 119.687 1.967 25079 2873 1 14 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.044 -0.041 25079 2874 1 14 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.596 0.073 25079 2875 1 14 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.613 0.115 25079 2876 1 14 . 1 1 18 18 LEU H H 18 8.229 8.229 7.781 0.448 25079 2877 1 14 . 1 1 19 19 THR N N 19 115.361 115.361 114.505 0.856 25079 2878 1 14 . 1 1 19 19 THR HA H 19 4.252 4.252 4.081 0.171 25079 2879 1 14 . 1 1 19 19 THR CA C 19 68.380 68.380 65.687 2.693 25079 2880 1 14 . 1 1 19 19 THR CB C 19 67.094 67.094 68.367 -1.273 25079 2881 1 14 . 1 1 19 19 THR H H 19 7.951 7.951 7.940 0.011 25079 2882 1 14 . 1 1 20 20 LEU N N 20 119.190 119.190 122.316 -3.126 25079 2883 1 14 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.185 -0.223 25079 2884 1 14 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.658 0.654 25079 2885 1 14 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.779 0.029 25079 2886 1 14 . 1 1 20 20 LEU H H 20 8.334 8.334 7.675 0.659 25079 2887 1 14 . 1 1 21 21 SER N N 21 114.597 114.597 115.597 -1.000 25079 2888 1 14 . 1 1 21 21 SER HA H 21 4.027 4.027 4.185 -0.158 25079 2889 1 14 . 1 1 21 21 SER CA C 21 63.605 63.605 61.803 1.802 25079 2890 1 14 . 1 1 21 21 SER CB C 21 63.022 63.022 63.037 -0.015 25079 2891 1 14 . 1 1 21 21 SER H H 21 8.195 8.195 8.458 -0.263 25079 2892 1 14 . 1 1 22 22 LEU N N 22 120.987 120.987 122.311 -1.324 25079 2893 1 14 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.942 0.054 25079 2894 1 14 . 1 1 22 22 LEU CA C 22 58.134 58.134 57.997 0.137 25079 2895 1 14 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.067 -0.465 25079 2896 1 14 . 1 1 22 22 LEU H H 22 7.881 7.881 7.758 0.123 25079 2897 1 14 . 1 1 23 23 ILE N N 23 118.022 118.022 115.873 2.149 25079 2898 1 14 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.714 -0.234 25079 2899 1 14 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.442 1.326 25079 2900 1 14 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.574 -0.311 25079 2901 1 14 . 1 1 23 23 ILE H H 23 7.987 7.987 7.469 0.518 25079 2902 1 14 . 1 1 24 24 LEU N N 24 118.701 118.701 122.069 -3.368 25079 2903 1 14 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.130 -0.205 25079 2904 1 14 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.187 0.399 25079 2905 1 14 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.525 0.096 25079 2906 1 14 . 1 1 24 24 LEU H H 24 8.174 8.174 7.647 0.527 25079 2907 1 14 . 1 1 25 25 VAL N N 25 117.708 117.708 119.220 -1.512 25079 2908 1 14 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.688 0.739 25079 2909 1 14 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.932 0.776 25079 2910 1 14 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.949 0.590 25079 2911 1 14 . 1 1 25 25 VAL H H 25 8.118 8.118 8.575 -0.457 25079 2912 1 14 . 1 1 26 26 VAL N N 26 118.872 118.872 120.476 -1.604 25079 2913 1 14 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.675 -0.302 25079 2914 1 14 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.756 1.096 25079 2915 1 14 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.222 -0.252 25079 2916 1 14 . 1 1 26 26 VAL H H 26 8.140 8.140 7.573 0.567 25079 2917 1 14 . 1 1 27 27 ILE N N 27 118.715 118.715 117.276 1.439 25079 2918 1 14 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.692 -0.165 25079 2919 1 14 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.852 1.070 25079 2920 1 14 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.274 0.053 25079 2921 1 14 . 1 1 27 27 ILE H H 27 8.336 8.336 7.637 0.699 25079 2922 1 14 . 1 1 28 28 LEU N N 28 119.343 119.343 121.621 -2.278 25079 2923 1 14 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.936 0.045 25079 2924 1 14 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.136 0.490 25079 2925 1 14 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.774 0.641 25079 2926 1 14 . 1 1 28 28 LEU H H 28 8.494 8.494 7.929 0.565 25079 2927 1 14 . 1 1 29 29 VAL N N 29 121.451 121.451 118.224 3.227 25079 2928 1 14 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.633 -0.169 25079 2929 1 14 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.724 0.958 25079 2930 1 14 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.738 -0.566 25079 2931 1 14 . 1 1 29 29 VAL H H 29 8.696 8.696 7.620 1.076 25079 2932 1 14 . 1 1 30 30 LEU N N 30 119.811 119.811 120.794 -0.983 25079 2933 1 14 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.896 0.005 25079 2934 1 14 . 1 1 30 30 LEU CA C 30 58.783 58.783 58.099 0.684 25079 2935 1 14 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.863 -0.348 25079 2936 1 14 . 1 1 30 30 LEU H H 30 8.534 8.534 7.614 0.920 25079 2937 1 14 . 1 1 31 31 LEU N N 31 117.365 117.365 118.173 -0.808 25079 2938 1 14 . 1 1 31 31 LEU HA H 31 3.946 3.946 3.916 0.030 25079 2939 1 14 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.793 -0.350 25079 2940 1 14 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.539 0.263 25079 2941 1 14 . 1 1 31 31 LEU H H 31 8.770 8.770 8.085 0.685 25079 2942 1 14 . 1 1 32 32 THR N N 32 116.494 116.494 114.063 2.431 25079 2943 1 14 . 1 1 32 32 THR HA H 32 4.311 4.311 3.904 0.407 25079 2944 1 14 . 1 1 32 32 THR CA C 32 68.534 68.534 65.981 2.553 25079 2945 1 14 . 1 1 32 32 THR CB C 32 67.727 67.727 68.041 -0.314 25079 2946 1 14 . 1 1 32 32 THR H H 32 8.016 8.016 7.763 0.253 25079 2947 1 14 . 1 1 33 33 VAL N N 33 120.644 120.644 122.483 -1.839 25079 2948 1 14 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.593 -0.094 25079 2949 1 14 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.576 1.029 25079 2950 1 14 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.537 -0.069 25079 2951 1 14 . 1 1 33 33 VAL H H 33 8.430 8.430 8.167 0.263 25079 2952 1 14 . 1 1 34 34 LEU N N 34 118.815 118.815 120.225 -1.410 25079 2953 1 14 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.936 0.058 25079 2954 1 14 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.236 0.197 25079 2955 1 14 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.183 0.360 25079 2956 1 14 . 1 1 34 34 LEU H H 34 8.424 8.424 7.603 0.821 25079 2957 1 14 . 1 1 35 35 ALA N N 35 122.308 122.308 122.823 -0.515 25079 2958 1 14 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.097 -0.104 25079 2959 1 14 . 1 1 35 35 ALA CA C 35 55.704 55.704 54.965 0.739 25079 2960 1 14 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.312 0.134 25079 2961 1 14 . 1 1 35 35 ALA H H 35 8.646 8.646 7.921 0.725 25079 2962 1 14 . 1 1 36 36 LEU N N 36 118.240 118.240 119.687 -1.447 25079 2963 1 14 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.938 0.120 25079 2964 1 14 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.863 0.215 25079 2965 1 14 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.056 -0.026 25079 2966 1 14 . 1 1 36 36 LEU H H 36 8.442 8.442 8.140 0.302 25079 2967 1 14 . 1 1 37 37 LEU N N 37 117.383 117.383 118.572 -1.189 25079 2968 1 14 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.878 0.210 25079 2969 1 14 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.443 -0.777 25079 2970 1 14 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.867 0.236 25079 2971 1 14 . 1 1 37 37 LEU H H 37 8.499 8.499 8.193 0.306 25079 2972 1 14 . 1 1 38 38 SER N N 38 113.837 113.837 115.243 -1.406 25079 2973 1 14 . 1 1 38 38 SER HA H 38 4.235 4.235 4.031 0.204 25079 2974 1 14 . 1 1 38 38 SER CA C 38 61.318 61.318 61.823 -0.505 25079 2975 1 14 . 1 1 38 38 SER CB C 38 63.438 63.438 63.001 0.438 25079 2976 1 14 . 1 1 38 38 SER H H 38 8.155 8.155 8.665 -0.510 25079 2977 1 14 . 1 1 39 39 HIS N N 39 119.819 119.819 122.481 -2.662 25079 2978 1 14 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.306 0.471 25079 2979 1 14 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.576 -2.265 25079 2980 1 14 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.864 0.929 25079 2981 1 14 . 1 1 39 39 HIS H H 39 8.017 8.017 8.525 -0.508 25079 2982 1 14 . 1 1 40 40 ARG N N 40 119.165 119.165 119.276 -0.111 25079 2983 1 14 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.778 -1.009 25079 2984 1 14 . 1 1 40 40 ARG H H 40 7.785 7.785 8.024 -0.239 25079 2985 1 14 . 1 1 41 41 ARG N N 41 119.761 119.761 119.758 0.003 25079 2986 1 14 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.059 0.057 25079 2987 1 14 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.164 -0.253 25079 2988 1 14 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.012 -0.437 25079 2989 1 14 . 1 1 41 41 ARG H H 41 8.358 8.358 8.211 0.147 25079 2990 1 14 . 1 1 42 42 ALA N N 42 121.554 121.554 122.101 -0.547 25079 2991 1 14 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.009 0.195 25079 2992 1 14 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.067 -0.876 25079 2993 1 14 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.039 0.490 25079 2994 1 14 . 1 1 42 42 ALA H H 42 8.098 8.098 8.134 -0.036 25079 2995 1 14 . 1 1 43 43 LEU N N 43 117.383 117.383 118.367 -0.984 25079 2996 1 14 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.840 0.221 25079 2997 1 14 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.466 -0.155 25079 2998 1 14 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.635 0.850 25079 2999 1 14 . 1 1 43 43 LEU H H 43 7.986 7.986 7.889 0.097 25079 3000 1 14 . 1 1 44 44 LYS N N 44 118.908 118.908 118.429 0.479 25079 3001 1 14 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.950 0.093 25079 3002 1 14 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.644 0.258 25079 3003 1 14 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.176 0.454 25079 3004 1 14 . 1 1 44 44 LYS H H 44 8.258 8.258 8.178 0.080 25079 3005 1 14 . 1 1 45 45 GLN N N 45 115.858 115.858 119.367 -3.509 25079 3006 1 14 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.274 -0.152 25079 3007 1 14 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.343 -0.949 25079 3008 1 14 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.907 -0.260 25079 3009 1 14 . 1 1 45 45 GLN H H 45 7.764 7.764 7.920 -0.156 25079 3010 1 14 . 1 1 46 46 LYS N N 46 117.155 117.155 117.726 -0.571 25079 3011 1 14 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.131 0.046 25079 3012 1 14 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.703 -1.570 25079 3013 1 14 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.935 0.072 25079 3014 1 14 . 1 1 46 46 LYS H H 46 7.620 7.620 7.727 -0.107 25079 3015 1 14 . 1 1 47 47 ILE N N 47 116.662 116.662 116.589 0.073 25079 3016 1 14 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.202 -0.455 25079 3017 1 14 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.110 0.579 25079 3018 1 14 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.306 -2.632 25079 3019 1 14 . 1 1 47 47 ILE H H 47 7.570 7.570 7.600 -0.030 25079 3020 1 14 . 1 1 48 48 TRP N N 48 118.880 118.880 122.167 -3.287 25079 3021 1 14 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.051 -0.055 25079 3022 1 14 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.509 1.084 25079 3023 1 14 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.860 -2.067 25079 3024 1 14 . 1 1 48 48 TRP H H 48 8.001 8.001 7.982 0.019 25079 3025 1 15 . 1 1 2 2 SER CB C 2 63.463 63.463 63.302 0.161 25079 3026 1 15 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.310 0.132 25079 3027 1 15 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.671 -0.319 25079 3028 1 15 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.905 0.010 25079 3029 1 15 . 1 1 5 5 VAL N N 5 119.530 119.530 121.856 -2.326 25079 3030 1 15 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.199 -0.134 25079 3031 1 15 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.782 -0.236 25079 3032 1 15 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.925 0.527 25079 3033 1 15 . 1 1 5 5 VAL H H 5 8.193 8.193 8.244 -0.051 25079 3034 1 15 . 1 1 6 6 SER N N 6 118.536 118.536 115.883 2.653 25079 3035 1 15 . 1 1 6 6 SER HA H 6 4.474 4.474 4.431 0.043 25079 3036 1 15 . 1 1 6 6 SER CA C 6 58.259 58.259 57.888 0.371 25079 3037 1 15 . 1 1 6 6 SER CB C 6 64.180 64.180 62.789 1.391 25079 3038 1 15 . 1 1 6 6 SER H H 6 8.246 8.246 8.124 0.121 25079 3039 1 15 . 1 1 7 7 LEU N N 7 124.072 124.072 123.172 0.900 25079 3040 1 15 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.200 0.068 25079 3041 1 15 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.053 0.826 25079 3042 1 15 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.869 0.019 25079 3043 1 15 . 1 1 7 7 LEU H H 7 8.428 8.428 7.754 0.674 25079 3044 1 15 . 1 1 8 8 LEU N N 8 118.780 118.780 123.626 -4.846 25079 3045 1 15 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.455 -0.071 25079 3046 1 15 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.603 0.204 25079 3047 1 15 . 1 1 8 8 LEU CB C 8 42.968 42.968 41.237 1.731 25079 3048 1 15 . 1 1 8 8 LEU H H 8 7.911 7.911 8.377 -0.466 25079 3049 1 15 . 1 1 9 9 THR N N 9 114.528 114.528 118.531 -4.003 25079 3050 1 15 . 1 1 9 9 THR CA C 9 59.552 59.552 59.201 0.351 25079 3051 1 15 . 1 1 9 9 THR CB C 9 69.588 69.588 69.792 -0.204 25079 3052 1 15 . 1 1 9 9 THR H H 9 8.030 8.030 7.968 0.062 25079 3053 1 15 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.328 0.041 25079 3054 1 15 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.896 -0.690 25079 3055 1 15 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.630 0.297 25079 3056 1 15 . 1 1 11 11 SER N N 11 113.430 113.430 112.999 0.431 25079 3057 1 15 . 1 1 11 11 SER HA H 11 4.293 4.293 4.264 0.029 25079 3058 1 15 . 1 1 11 11 SER CA C 11 59.677 59.677 60.062 -0.385 25079 3059 1 15 . 1 1 11 11 SER CB C 11 63.851 63.851 63.059 0.792 25079 3060 1 15 . 1 1 11 11 SER H H 11 8.217 8.217 8.043 0.174 25079 3061 1 15 . 1 1 12 12 ASP N N 12 120.212 120.212 120.449 -0.237 25079 3062 1 15 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.799 -0.173 25079 3063 1 15 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.579 1.130 25079 3064 1 15 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.311 -0.858 25079 3065 1 15 . 1 1 12 12 ASP H H 12 8.122 8.122 7.698 0.424 25079 3066 1 15 . 1 1 13 13 LEU N N 13 120.144 120.144 124.089 -3.945 25079 3067 1 15 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.190 0.146 25079 3068 1 15 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.159 -0.571 25079 3069 1 15 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.279 2.019 25079 3070 1 15 . 1 1 13 13 LEU H H 13 7.719 7.719 7.570 0.149 25079 3071 1 15 . 1 1 14 14 ASP N N 14 123.659 123.659 126.924 -3.265 25079 3072 1 15 . 1 1 14 14 ASP CA C 14 53.538 53.538 54.639 -1.101 25079 3073 1 15 . 1 1 14 14 ASP CB C 14 43.171 43.171 40.041 3.130 25079 3074 1 15 . 1 1 14 14 ASP H H 14 8.289 8.289 8.515 -0.226 25079 3075 1 15 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.146 0.106 25079 3076 1 15 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.248 0.283 25079 3077 1 15 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.052 0.272 25079 3078 1 15 . 1 1 16 16 LEU N N 16 120.965 120.965 118.764 2.201 25079 3079 1 15 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.090 0.085 25079 3080 1 15 . 1 1 16 16 LEU CA C 16 58.452 58.452 58.010 0.442 25079 3081 1 15 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.070 0.265 25079 3082 1 15 . 1 1 16 16 LEU H H 16 8.639 8.639 7.901 0.738 25079 3083 1 15 . 1 1 17 17 ILE N N 17 118.865 118.865 118.243 0.622 25079 3084 1 15 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.842 -0.136 25079 3085 1 15 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.946 0.387 25079 3086 1 15 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.135 -0.427 25079 3087 1 15 . 1 1 17 17 ILE H H 17 7.831 7.831 7.934 -0.103 25079 3088 1 15 . 1 1 18 18 LEU N N 18 121.654 121.654 120.307 1.347 25079 3089 1 15 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.059 -0.056 25079 3090 1 15 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.325 0.344 25079 3091 1 15 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.602 0.126 25079 3092 1 15 . 1 1 18 18 LEU H H 18 8.229 8.229 8.212 0.017 25079 3093 1 15 . 1 1 19 19 THR N N 19 115.361 115.361 116.311 -0.950 25079 3094 1 15 . 1 1 19 19 THR HA H 19 4.252 4.252 4.055 0.197 25079 3095 1 15 . 1 1 19 19 THR CA C 19 68.380 68.380 67.027 1.353 25079 3096 1 15 . 1 1 19 19 THR CB C 19 67.094 67.094 68.816 -1.722 25079 3097 1 15 . 1 1 19 19 THR H H 19 7.951 7.951 7.566 0.385 25079 3098 1 15 . 1 1 20 20 LEU N N 20 119.190 119.190 121.466 -2.276 25079 3099 1 15 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.138 -0.176 25079 3100 1 15 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.404 0.909 25079 3101 1 15 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.960 -0.152 25079 3102 1 15 . 1 1 20 20 LEU H H 20 8.334 8.334 7.559 0.775 25079 3103 1 15 . 1 1 21 21 SER N N 21 114.597 114.597 115.452 -0.855 25079 3104 1 15 . 1 1 21 21 SER HA H 21 4.027 4.027 4.221 -0.194 25079 3105 1 15 . 1 1 21 21 SER CA C 21 63.605 63.605 61.798 1.807 25079 3106 1 15 . 1 1 21 21 SER CB C 21 63.022 63.022 63.109 -0.087 25079 3107 1 15 . 1 1 21 21 SER H H 21 8.195 8.195 8.299 -0.104 25079 3108 1 15 . 1 1 22 22 LEU N N 22 120.987 120.987 122.923 -1.936 25079 3109 1 15 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.983 0.013 25079 3110 1 15 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.264 -0.130 25079 3111 1 15 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.092 -0.490 25079 3112 1 15 . 1 1 22 22 LEU H H 22 7.881 7.881 7.752 0.129 25079 3113 1 15 . 1 1 23 23 ILE N N 23 118.022 118.022 115.928 2.094 25079 3114 1 15 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.729 -0.249 25079 3115 1 15 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.496 1.272 25079 3116 1 15 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.472 -0.209 25079 3117 1 15 . 1 1 23 23 ILE H H 23 7.987 7.987 7.496 0.491 25079 3118 1 15 . 1 1 24 24 LEU N N 24 118.701 118.701 122.121 -3.420 25079 3119 1 15 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.111 -0.186 25079 3120 1 15 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.147 0.439 25079 3121 1 15 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.449 0.172 25079 3122 1 15 . 1 1 24 24 LEU H H 24 8.174 8.174 7.609 0.565 25079 3123 1 15 . 1 1 25 25 VAL N N 25 117.708 117.708 119.254 -1.546 25079 3124 1 15 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.722 0.705 25079 3125 1 15 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.104 1.604 25079 3126 1 15 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.344 0.195 25079 3127 1 15 . 1 1 25 25 VAL H H 25 8.118 8.118 8.347 -0.229 25079 3128 1 15 . 1 1 26 26 VAL N N 26 118.872 118.872 120.753 -1.881 25079 3129 1 15 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.584 -0.211 25079 3130 1 15 . 1 1 26 26 VAL CA C 26 67.852 67.852 67.299 0.553 25079 3131 1 15 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.888 -0.918 25079 3132 1 15 . 1 1 26 26 VAL H H 26 8.140 8.140 7.742 0.398 25079 3133 1 15 . 1 1 27 27 ILE N N 27 118.715 118.715 117.090 1.625 25079 3134 1 15 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.768 -0.241 25079 3135 1 15 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.858 1.064 25079 3136 1 15 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.318 0.009 25079 3137 1 15 . 1 1 27 27 ILE H H 27 8.336 8.336 7.998 0.338 25079 3138 1 15 . 1 1 28 28 LEU N N 28 119.343 119.343 121.800 -2.457 25079 3139 1 15 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.987 -0.006 25079 3140 1 15 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.218 0.408 25079 3141 1 15 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.749 0.666 25079 3142 1 15 . 1 1 28 28 LEU H H 28 8.494 8.494 7.530 0.964 25079 3143 1 15 . 1 1 29 29 VAL N N 29 121.451 121.451 117.583 3.868 25079 3144 1 15 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.683 -0.219 25079 3145 1 15 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.570 1.112 25079 3146 1 15 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.211 -0.039 25079 3147 1 15 . 1 1 29 29 VAL H H 29 8.696 8.696 7.600 1.096 25079 3148 1 15 . 1 1 30 30 LEU N N 30 119.811 119.811 120.659 -0.848 25079 3149 1 15 . 1 1 30 30 LEU HA H 30 3.901 3.901 4.027 -0.126 25079 3150 1 15 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.675 1.108 25079 3151 1 15 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.800 -0.284 25079 3152 1 15 . 1 1 30 30 LEU H H 30 8.534 8.534 7.430 1.104 25079 3153 1 15 . 1 1 31 31 LEU N N 31 117.365 117.365 120.092 -2.727 25079 3154 1 15 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.031 -0.085 25079 3155 1 15 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.146 0.297 25079 3156 1 15 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.290 0.512 25079 3157 1 15 . 1 1 31 31 LEU H H 31 8.770 8.770 8.267 0.503 25079 3158 1 15 . 1 1 32 32 THR N N 32 116.494 116.494 113.986 2.508 25079 3159 1 15 . 1 1 32 32 THR HA H 32 4.311 4.311 3.890 0.421 25079 3160 1 15 . 1 1 32 32 THR CA C 32 68.534 68.534 66.453 2.081 25079 3161 1 15 . 1 1 32 32 THR CB C 32 67.727 67.727 68.406 -0.679 25079 3162 1 15 . 1 1 32 32 THR H H 32 8.016 8.016 7.722 0.294 25079 3163 1 15 . 1 1 33 33 VAL N N 33 120.644 120.644 122.062 -1.418 25079 3164 1 15 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.622 -0.123 25079 3165 1 15 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.619 0.986 25079 3166 1 15 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.680 -0.212 25079 3167 1 15 . 1 1 33 33 VAL H H 33 8.430 8.430 7.486 0.944 25079 3168 1 15 . 1 1 34 34 LEU N N 34 118.815 118.815 120.140 -1.325 25079 3169 1 15 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.988 0.006 25079 3170 1 15 . 1 1 34 34 LEU CA C 34 58.433 58.433 57.929 0.503 25079 3171 1 15 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.113 0.430 25079 3172 1 15 . 1 1 34 34 LEU H H 34 8.424 8.424 7.515 0.909 25079 3173 1 15 . 1 1 35 35 ALA N N 35 122.308 122.308 122.435 -0.127 25079 3174 1 15 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.974 0.019 25079 3175 1 15 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.325 0.378 25079 3176 1 15 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.032 0.414 25079 3177 1 15 . 1 1 35 35 ALA H H 35 8.646 8.646 8.423 0.223 25079 3178 1 15 . 1 1 36 36 LEU N N 36 118.240 118.240 119.936 -1.696 25079 3179 1 15 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.978 0.080 25079 3180 1 15 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.813 0.265 25079 3181 1 15 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.109 -0.079 25079 3182 1 15 . 1 1 36 36 LEU H H 36 8.442 8.442 8.174 0.268 25079 3183 1 15 . 1 1 37 37 LEU N N 37 117.383 117.383 119.437 -2.054 25079 3184 1 15 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.892 0.196 25079 3185 1 15 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.369 -0.703 25079 3186 1 15 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.284 0.819 25079 3187 1 15 . 1 1 37 37 LEU H H 37 8.499 8.499 7.943 0.556 25079 3188 1 15 . 1 1 38 38 SER N N 38 113.837 113.837 114.576 -0.739 25079 3189 1 15 . 1 1 38 38 SER HA H 38 4.235 4.235 4.171 0.064 25079 3190 1 15 . 1 1 38 38 SER CA C 38 61.318 61.318 62.022 -0.704 25079 3191 1 15 . 1 1 38 38 SER CB C 38 63.438 63.438 62.895 0.542 25079 3192 1 15 . 1 1 38 38 SER H H 38 8.155 8.155 8.371 -0.216 25079 3193 1 15 . 1 1 39 39 HIS N N 39 119.819 119.819 121.448 -1.629 25079 3194 1 15 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.226 0.551 25079 3195 1 15 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.844 -2.533 25079 3196 1 15 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.178 0.615 25079 3197 1 15 . 1 1 39 39 HIS H H 39 8.017 8.017 8.332 -0.315 25079 3198 1 15 . 1 1 40 40 ARG N N 40 119.165 119.165 119.033 0.132 25079 3199 1 15 . 1 1 40 40 ARG CA C 40 58.769 58.769 60.076 -1.307 25079 3200 1 15 . 1 1 40 40 ARG H H 40 7.785 7.785 8.407 -0.622 25079 3201 1 15 . 1 1 41 41 ARG N N 41 119.761 119.761 119.247 0.514 25079 3202 1 15 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.040 0.076 25079 3203 1 15 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.141 -0.230 25079 3204 1 15 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.102 -0.527 25079 3205 1 15 . 1 1 41 41 ARG H H 41 8.358 8.358 7.953 0.405 25079 3206 1 15 . 1 1 42 42 ALA N N 42 121.554 121.554 122.641 -1.087 25079 3207 1 15 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.047 0.157 25079 3208 1 15 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.122 -0.931 25079 3209 1 15 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.500 0.029 25079 3210 1 15 . 1 1 42 42 ALA H H 42 8.098 8.098 8.461 -0.363 25079 3211 1 15 . 1 1 43 43 LEU N N 43 117.383 117.383 119.521 -2.138 25079 3212 1 15 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.977 0.084 25079 3213 1 15 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.752 -0.441 25079 3214 1 15 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.802 0.683 25079 3215 1 15 . 1 1 43 43 LEU H H 43 7.986 7.986 7.814 0.172 25079 3216 1 15 . 1 1 44 44 LYS N N 44 118.908 118.908 118.673 0.235 25079 3217 1 15 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.896 0.147 25079 3218 1 15 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.484 0.418 25079 3219 1 15 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.268 0.362 25079 3220 1 15 . 1 1 44 44 LYS H H 44 8.258 8.258 8.105 0.153 25079 3221 1 15 . 1 1 45 45 GLN N N 45 115.858 115.858 118.785 -2.927 25079 3222 1 15 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.389 -0.267 25079 3223 1 15 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.236 -0.843 25079 3224 1 15 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.961 -0.314 25079 3225 1 15 . 1 1 45 45 GLN H H 45 7.764 7.764 7.790 -0.026 25079 3226 1 15 . 1 1 46 46 LYS N N 46 117.155 117.155 117.812 -0.657 25079 3227 1 15 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.126 0.051 25079 3228 1 15 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.873 -1.740 25079 3229 1 15 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.872 0.135 25079 3230 1 15 . 1 1 46 46 LYS H H 46 7.620 7.620 7.790 -0.170 25079 3231 1 15 . 1 1 47 47 ILE N N 47 116.662 116.662 116.296 0.366 25079 3232 1 15 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.235 -0.488 25079 3233 1 15 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.136 0.553 25079 3234 1 15 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.835 -3.161 25079 3235 1 15 . 1 1 47 47 ILE H H 47 7.570 7.570 7.631 -0.061 25079 3236 1 15 . 1 1 48 48 TRP N N 48 118.880 118.880 122.235 -3.355 25079 3237 1 15 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.064 -0.069 25079 3238 1 15 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.742 0.851 25079 3239 1 15 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.777 -1.984 25079 3240 1 15 . 1 1 48 48 TRP H H 48 8.001 8.001 8.103 -0.102 25079 3241 1 16 . 1 1 2 2 SER CB C 2 63.463 63.463 63.861 -0.398 25079 3242 1 16 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.395 0.047 25079 3243 1 16 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.079 0.273 25079 3244 1 16 . 1 1 4 4 PRO CB C 4 31.915 31.915 32.721 -0.806 25079 3245 1 16 . 1 1 5 5 VAL N N 5 119.530 119.530 118.438 1.092 25079 3246 1 16 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.155 -0.090 25079 3247 1 16 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.156 0.390 25079 3248 1 16 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.049 0.403 25079 3249 1 16 . 1 1 5 5 VAL H H 5 8.193 8.193 8.072 0.121 25079 3250 1 16 . 1 1 6 6 SER N N 6 118.536 118.536 115.100 3.436 25079 3251 1 16 . 1 1 6 6 SER HA H 6 4.474 4.474 4.290 0.184 25079 3252 1 16 . 1 1 6 6 SER CA C 6 58.259 58.259 58.663 -0.404 25079 3253 1 16 . 1 1 6 6 SER CB C 6 64.180 64.180 62.911 1.269 25079 3254 1 16 . 1 1 6 6 SER H H 6 8.246 8.246 8.012 0.234 25079 3255 1 16 . 1 1 7 7 LEU N N 7 124.072 124.072 122.503 1.569 25079 3256 1 16 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.146 0.122 25079 3257 1 16 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.040 0.839 25079 3258 1 16 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.574 0.314 25079 3259 1 16 . 1 1 7 7 LEU H H 7 8.428 8.428 7.963 0.465 25079 3260 1 16 . 1 1 8 8 LEU N N 8 118.780 118.780 122.130 -3.350 25079 3261 1 16 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.307 0.077 25079 3262 1 16 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.421 0.387 25079 3263 1 16 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.100 0.868 25079 3264 1 16 . 1 1 8 8 LEU H H 8 7.911 7.911 8.308 -0.397 25079 3265 1 16 . 1 1 9 9 THR N N 9 114.528 114.528 117.162 -2.634 25079 3266 1 16 . 1 1 9 9 THR CA C 9 59.552 59.552 61.209 -1.657 25079 3267 1 16 . 1 1 9 9 THR CB C 9 69.588 69.588 68.063 1.525 25079 3268 1 16 . 1 1 9 9 THR H H 9 8.030 8.030 8.555 -0.525 25079 3269 1 16 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.250 0.119 25079 3270 1 16 . 1 1 10 10 PRO CA C 10 64.206 64.206 65.183 -0.977 25079 3271 1 16 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.840 0.087 25079 3272 1 16 . 1 1 11 11 SER N N 11 113.430 113.430 111.630 1.800 25079 3273 1 16 . 1 1 11 11 SER HA H 11 4.293 4.293 4.324 -0.031 25079 3274 1 16 . 1 1 11 11 SER CA C 11 59.677 59.677 59.766 -0.089 25079 3275 1 16 . 1 1 11 11 SER CB C 11 63.851 63.851 62.558 1.293 25079 3276 1 16 . 1 1 11 11 SER H H 11 8.217 8.217 8.224 -0.007 25079 3277 1 16 . 1 1 12 12 ASP N N 12 120.212 120.212 120.260 -0.048 25079 3278 1 16 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.783 -0.157 25079 3279 1 16 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.527 1.182 25079 3280 1 16 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.724 -0.271 25079 3281 1 16 . 1 1 12 12 ASP H H 12 8.122 8.122 7.904 0.218 25079 3282 1 16 . 1 1 13 13 LEU N N 13 120.144 120.144 123.518 -3.374 25079 3283 1 16 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.247 0.089 25079 3284 1 16 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.636 -1.048 25079 3285 1 16 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.335 1.963 25079 3286 1 16 . 1 1 13 13 LEU H H 13 7.719 7.719 7.470 0.249 25079 3287 1 16 . 1 1 14 14 ASP N N 14 123.659 123.659 123.892 -0.233 25079 3288 1 16 . 1 1 14 14 ASP CA C 14 53.538 53.538 50.945 2.593 25079 3289 1 16 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.009 2.162 25079 3290 1 16 . 1 1 14 14 ASP H H 14 8.289 8.289 8.537 -0.248 25079 3291 1 16 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.198 0.054 25079 3292 1 16 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.378 1.153 25079 3293 1 16 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.798 0.526 25079 3294 1 16 . 1 1 16 16 LEU N N 16 120.965 120.965 118.655 2.310 25079 3295 1 16 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.070 0.105 25079 3296 1 16 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.645 0.807 25079 3297 1 16 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.233 0.101 25079 3298 1 16 . 1 1 16 16 LEU H H 16 8.639 8.639 8.005 0.634 25079 3299 1 16 . 1 1 17 17 ILE N N 17 118.865 118.865 116.449 2.416 25079 3300 1 16 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.689 0.017 25079 3301 1 16 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.559 -0.227 25079 3302 1 16 . 1 1 17 17 ILE CB C 17 36.708 36.708 36.969 -0.261 25079 3303 1 16 . 1 1 17 17 ILE H H 17 7.831 7.831 7.694 0.137 25079 3304 1 16 . 1 1 18 18 LEU N N 18 121.654 121.654 121.283 0.371 25079 3305 1 16 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.950 0.053 25079 3306 1 16 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.351 0.318 25079 3307 1 16 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.341 0.387 25079 3308 1 16 . 1 1 18 18 LEU H H 18 8.229 8.229 8.209 0.020 25079 3309 1 16 . 1 1 19 19 THR N N 19 115.361 115.361 115.279 0.082 25079 3310 1 16 . 1 1 19 19 THR HA H 19 4.252 4.252 4.037 0.215 25079 3311 1 16 . 1 1 19 19 THR CA C 19 68.380 68.380 67.186 1.194 25079 3312 1 16 . 1 1 19 19 THR CB C 19 67.094 67.094 68.647 -1.554 25079 3313 1 16 . 1 1 19 19 THR H H 19 7.951 7.951 7.978 -0.027 25079 3314 1 16 . 1 1 20 20 LEU N N 20 119.190 119.190 121.775 -2.585 25079 3315 1 16 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.168 -0.206 25079 3316 1 16 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.223 1.090 25079 3317 1 16 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.958 -0.150 25079 3318 1 16 . 1 1 20 20 LEU H H 20 8.334 8.334 7.724 0.610 25079 3319 1 16 . 1 1 21 21 SER N N 21 114.597 114.597 115.640 -1.043 25079 3320 1 16 . 1 1 21 21 SER HA H 21 4.027 4.027 4.219 -0.192 25079 3321 1 16 . 1 1 21 21 SER CA C 21 63.605 63.605 61.958 1.647 25079 3322 1 16 . 1 1 21 21 SER CB C 21 63.022 63.022 63.273 -0.251 25079 3323 1 16 . 1 1 21 21 SER H H 21 8.195 8.195 8.287 -0.092 25079 3324 1 16 . 1 1 22 22 LEU N N 22 120.987 120.987 123.180 -2.193 25079 3325 1 16 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.967 0.029 25079 3326 1 16 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.285 -0.151 25079 3327 1 16 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.947 -0.345 25079 3328 1 16 . 1 1 22 22 LEU H H 22 7.881 7.881 8.156 -0.275 25079 3329 1 16 . 1 1 23 23 ILE N N 23 118.022 118.022 116.009 2.013 25079 3330 1 16 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.735 -0.255 25079 3331 1 16 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.752 1.016 25079 3332 1 16 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.164 0.099 25079 3333 1 16 . 1 1 23 23 ILE H H 23 7.987 7.987 7.583 0.404 25079 3334 1 16 . 1 1 24 24 LEU N N 24 118.701 118.701 121.332 -2.631 25079 3335 1 16 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.106 -0.181 25079 3336 1 16 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.068 0.518 25079 3337 1 16 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.509 0.112 25079 3338 1 16 . 1 1 24 24 LEU H H 24 8.174 8.174 7.477 0.697 25079 3339 1 16 . 1 1 25 25 VAL N N 25 117.708 117.708 119.434 -1.726 25079 3340 1 16 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.626 0.801 25079 3341 1 16 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.890 0.818 25079 3342 1 16 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.617 -0.078 25079 3343 1 16 . 1 1 25 25 VAL H H 25 8.118 8.118 8.399 -0.281 25079 3344 1 16 . 1 1 26 26 VAL N N 26 118.872 118.872 120.723 -1.851 25079 3345 1 16 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.639 -0.266 25079 3346 1 16 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.806 1.046 25079 3347 1 16 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.299 -0.329 25079 3348 1 16 . 1 1 26 26 VAL H H 26 8.140 8.140 7.819 0.321 25079 3349 1 16 . 1 1 27 27 ILE N N 27 118.715 118.715 117.393 1.322 25079 3350 1 16 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.694 -0.167 25079 3351 1 16 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.963 0.959 25079 3352 1 16 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.235 0.092 25079 3353 1 16 . 1 1 27 27 ILE H H 27 8.336 8.336 7.695 0.641 25079 3354 1 16 . 1 1 28 28 LEU N N 28 119.343 119.343 121.589 -2.246 25079 3355 1 16 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.964 0.017 25079 3356 1 16 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.028 0.598 25079 3357 1 16 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.780 0.635 25079 3358 1 16 . 1 1 28 28 LEU H H 28 8.494 8.494 7.735 0.759 25079 3359 1 16 . 1 1 29 29 VAL N N 29 121.451 121.451 118.450 3.001 25079 3360 1 16 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.576 -0.112 25079 3361 1 16 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.776 0.906 25079 3362 1 16 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.720 -0.548 25079 3363 1 16 . 1 1 29 29 VAL H H 29 8.696 8.696 7.884 0.812 25079 3364 1 16 . 1 1 30 30 LEU N N 30 119.811 119.811 120.247 -0.436 25079 3365 1 16 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.969 -0.068 25079 3366 1 16 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.648 1.135 25079 3367 1 16 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.849 -0.334 25079 3368 1 16 . 1 1 30 30 LEU H H 30 8.534 8.534 7.895 0.639 25079 3369 1 16 . 1 1 31 31 LEU N N 31 117.365 117.365 119.672 -2.307 25079 3370 1 16 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.031 -0.085 25079 3371 1 16 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.072 0.371 25079 3372 1 16 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.758 1.044 25079 3373 1 16 . 1 1 31 31 LEU H H 31 8.770 8.770 8.252 0.518 25079 3374 1 16 . 1 1 32 32 THR N N 32 116.494 116.494 113.161 3.333 25079 3375 1 16 . 1 1 32 32 THR HA H 32 4.311 4.311 3.887 0.424 25079 3376 1 16 . 1 1 32 32 THR CA C 32 68.534 68.534 66.346 2.188 25079 3377 1 16 . 1 1 32 32 THR CB C 32 67.727 67.727 68.765 -1.038 25079 3378 1 16 . 1 1 32 32 THR H H 32 8.016 8.016 7.754 0.262 25079 3379 1 16 . 1 1 33 33 VAL N N 33 120.644 120.644 122.704 -2.060 25079 3380 1 16 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.645 -0.146 25079 3381 1 16 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.905 0.700 25079 3382 1 16 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.179 0.289 25079 3383 1 16 . 1 1 33 33 VAL H H 33 8.430 8.430 7.656 0.774 25079 3384 1 16 . 1 1 34 34 LEU N N 34 118.815 118.815 120.703 -1.888 25079 3385 1 16 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.902 0.092 25079 3386 1 16 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.327 0.106 25079 3387 1 16 . 1 1 34 34 LEU CB C 34 41.543 41.543 40.920 0.623 25079 3388 1 16 . 1 1 34 34 LEU H H 34 8.424 8.424 7.688 0.736 25079 3389 1 16 . 1 1 35 35 ALA N N 35 122.308 122.308 122.073 0.235 25079 3390 1 16 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.892 0.101 25079 3391 1 16 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.032 0.672 25079 3392 1 16 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.075 0.371 25079 3393 1 16 . 1 1 35 35 ALA H H 35 8.646 8.646 7.771 0.875 25079 3394 1 16 . 1 1 36 36 LEU N N 36 118.240 118.240 119.967 -1.727 25079 3395 1 16 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.878 0.180 25079 3396 1 16 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.752 0.326 25079 3397 1 16 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.090 -0.060 25079 3398 1 16 . 1 1 36 36 LEU H H 36 8.442 8.442 8.088 0.354 25079 3399 1 16 . 1 1 37 37 LEU N N 37 117.383 117.383 119.596 -2.213 25079 3400 1 16 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.853 0.235 25079 3401 1 16 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.499 -0.833 25079 3402 1 16 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.696 0.407 25079 3403 1 16 . 1 1 37 37 LEU H H 37 8.499 8.499 8.526 -0.027 25079 3404 1 16 . 1 1 38 38 SER N N 38 113.837 113.837 114.944 -1.107 25079 3405 1 16 . 1 1 38 38 SER HA H 38 4.235 4.235 4.099 0.136 25079 3406 1 16 . 1 1 38 38 SER CA C 38 61.318 61.318 61.927 -0.609 25079 3407 1 16 . 1 1 38 38 SER CB C 38 63.438 63.438 63.209 0.229 25079 3408 1 16 . 1 1 38 38 SER H H 38 8.155 8.155 8.431 -0.276 25079 3409 1 16 . 1 1 39 39 HIS N N 39 119.819 119.819 122.007 -2.188 25079 3410 1 16 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.371 0.406 25079 3411 1 16 . 1 1 39 39 HIS CA C 39 57.311 57.311 58.794 -1.484 25079 3412 1 16 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.453 1.340 25079 3413 1 16 . 1 1 39 39 HIS H H 39 8.017 8.017 8.184 -0.167 25079 3414 1 16 . 1 1 40 40 ARG N N 40 119.165 119.165 120.027 -0.862 25079 3415 1 16 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.595 -0.826 25079 3416 1 16 . 1 1 40 40 ARG H H 40 7.785 7.785 8.730 -0.945 25079 3417 1 16 . 1 1 41 41 ARG N N 41 119.761 119.761 120.051 -0.290 25079 3418 1 16 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.139 -0.024 25079 3419 1 16 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.181 -0.270 25079 3420 1 16 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.107 -0.532 25079 3421 1 16 . 1 1 41 41 ARG H H 41 8.358 8.358 8.064 0.294 25079 3422 1 16 . 1 1 42 42 ALA N N 42 121.554 121.554 122.504 -0.950 25079 3423 1 16 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.055 0.149 25079 3424 1 16 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.091 -0.900 25079 3425 1 16 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.185 0.344 25079 3426 1 16 . 1 1 42 42 ALA H H 42 8.098 8.098 8.410 -0.312 25079 3427 1 16 . 1 1 43 43 LEU N N 43 117.383 117.383 119.041 -1.658 25079 3428 1 16 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.066 -0.005 25079 3429 1 16 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.625 -0.314 25079 3430 1 16 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.780 0.705 25079 3431 1 16 . 1 1 43 43 LEU H H 43 7.986 7.986 7.803 0.183 25079 3432 1 16 . 1 1 44 44 LYS N N 44 118.908 118.908 119.078 -0.170 25079 3433 1 16 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.948 0.095 25079 3434 1 16 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.342 0.560 25079 3435 1 16 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.175 0.455 25079 3436 1 16 . 1 1 44 44 LYS H H 44 8.258 8.258 7.957 0.301 25079 3437 1 16 . 1 1 45 45 GLN N N 45 115.858 115.858 118.841 -2.983 25079 3438 1 16 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.330 -0.208 25079 3439 1 16 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.336 -0.943 25079 3440 1 16 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.926 -0.279 25079 3441 1 16 . 1 1 45 45 GLN H H 45 7.764 7.764 7.992 -0.228 25079 3442 1 16 . 1 1 46 46 LYS N N 46 117.155 117.155 117.602 -0.447 25079 3443 1 16 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.116 0.061 25079 3444 1 16 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.867 -1.734 25079 3445 1 16 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.781 0.226 25079 3446 1 16 . 1 1 46 46 LYS H H 46 7.620 7.620 7.724 -0.104 25079 3447 1 16 . 1 1 47 47 ILE N N 47 116.662 116.662 116.610 0.052 25079 3448 1 16 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.226 -0.479 25079 3449 1 16 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.312 0.377 25079 3450 1 16 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.795 -3.121 25079 3451 1 16 . 1 1 47 47 ILE H H 47 7.570 7.570 7.574 -0.004 25079 3452 1 16 . 1 1 48 48 TRP N N 48 118.880 118.880 122.755 -3.875 25079 3453 1 16 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.034 -0.038 25079 3454 1 16 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.622 0.971 25079 3455 1 16 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.543 -2.750 25079 3456 1 16 . 1 1 48 48 TRP H H 48 8.001 8.001 8.416 -0.415 25079 3457 1 17 . 1 1 2 2 SER CB C 2 63.463 63.463 63.829 -0.366 25079 3458 1 17 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.321 0.121 25079 3459 1 17 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.523 -0.171 25079 3460 1 17 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.879 0.036 25079 3461 1 17 . 1 1 5 5 VAL N N 5 119.530 119.530 125.223 -5.693 25079 3462 1 17 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.079 -0.014 25079 3463 1 17 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.824 -0.278 25079 3464 1 17 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.318 0.134 25079 3465 1 17 . 1 1 5 5 VAL H H 5 8.193 8.193 8.293 -0.100 25079 3466 1 17 . 1 1 6 6 SER N N 6 118.536 118.536 116.402 2.134 25079 3467 1 17 . 1 1 6 6 SER HA H 6 4.474 4.474 4.147 0.327 25079 3468 1 17 . 1 1 6 6 SER CA C 6 58.259 58.259 60.377 -2.118 25079 3469 1 17 . 1 1 6 6 SER CB C 6 64.180 64.180 62.761 1.419 25079 3470 1 17 . 1 1 6 6 SER H H 6 8.246 8.246 8.361 -0.115 25079 3471 1 17 . 1 1 7 7 LEU N N 7 124.072 124.072 119.974 4.098 25079 3472 1 17 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.083 0.185 25079 3473 1 17 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.809 -0.930 25079 3474 1 17 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.113 0.775 25079 3475 1 17 . 1 1 7 7 LEU H H 7 8.428 8.428 7.686 0.742 25079 3476 1 17 . 1 1 8 8 LEU N N 8 118.780 118.780 118.290 0.490 25079 3477 1 17 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.542 -0.158 25079 3478 1 17 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.265 0.543 25079 3479 1 17 . 1 1 8 8 LEU CB C 8 42.968 42.968 43.395 -0.427 25079 3480 1 17 . 1 1 8 8 LEU H H 8 7.911 7.911 7.471 0.440 25079 3481 1 17 . 1 1 9 9 THR N N 9 114.528 114.528 113.480 1.048 25079 3482 1 17 . 1 1 9 9 THR CA C 9 59.552 59.552 58.655 0.897 25079 3483 1 17 . 1 1 9 9 THR CB C 9 69.588 69.588 69.397 0.191 25079 3484 1 17 . 1 1 9 9 THR H H 9 8.030 8.030 8.383 -0.353 25079 3485 1 17 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.412 -0.043 25079 3486 1 17 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.340 -0.134 25079 3487 1 17 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.837 0.090 25079 3488 1 17 . 1 1 11 11 SER N N 11 113.430 113.430 113.333 0.097 25079 3489 1 17 . 1 1 11 11 SER HA H 11 4.293 4.293 4.319 -0.026 25079 3490 1 17 . 1 1 11 11 SER CA C 11 59.677 59.677 59.594 0.082 25079 3491 1 17 . 1 1 11 11 SER CB C 11 63.851 63.851 62.873 0.978 25079 3492 1 17 . 1 1 11 11 SER H H 11 8.217 8.217 8.325 -0.108 25079 3493 1 17 . 1 1 12 12 ASP N N 12 120.212 120.212 120.690 -0.478 25079 3494 1 17 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.802 -0.176 25079 3495 1 17 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.319 1.390 25079 3496 1 17 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.575 -0.122 25079 3497 1 17 . 1 1 12 12 ASP H H 12 8.122 8.122 7.556 0.566 25079 3498 1 17 . 1 1 13 13 LEU N N 13 120.144 120.144 122.991 -2.847 25079 3499 1 17 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.210 0.126 25079 3500 1 17 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.944 -1.356 25079 3501 1 17 . 1 1 13 13 LEU CB C 13 43.298 43.298 40.050 3.248 25079 3502 1 17 . 1 1 13 13 LEU H H 13 7.719 7.719 7.517 0.202 25079 3503 1 17 . 1 1 14 14 ASP N N 14 123.659 123.659 126.775 -3.116 25079 3504 1 17 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.609 1.929 25079 3505 1 17 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.370 1.801 25079 3506 1 17 . 1 1 14 14 ASP H H 14 8.289 8.289 8.529 -0.240 25079 3507 1 17 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.231 0.021 25079 3508 1 17 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.097 0.434 25079 3509 1 17 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.945 0.379 25079 3510 1 17 . 1 1 16 16 LEU N N 16 120.965 120.965 117.256 3.709 25079 3511 1 17 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.015 0.160 25079 3512 1 17 . 1 1 16 16 LEU CA C 16 58.452 58.452 58.297 0.154 25079 3513 1 17 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.506 -0.171 25079 3514 1 17 . 1 1 16 16 LEU H H 16 8.639 8.639 7.833 0.806 25079 3515 1 17 . 1 1 17 17 ILE N N 17 118.865 118.865 118.116 0.749 25079 3516 1 17 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.765 -0.059 25079 3517 1 17 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.111 0.223 25079 3518 1 17 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.447 -0.739 25079 3519 1 17 . 1 1 17 17 ILE H H 17 7.831 7.831 7.452 0.379 25079 3520 1 17 . 1 1 18 18 LEU N N 18 121.654 121.654 119.969 1.685 25079 3521 1 17 . 1 1 18 18 LEU HA H 18 4.003 4.003 4.043 -0.040 25079 3522 1 17 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.661 0.008 25079 3523 1 17 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.820 -0.092 25079 3524 1 17 . 1 1 18 18 LEU H H 18 8.229 8.229 7.959 0.270 25079 3525 1 17 . 1 1 19 19 THR N N 19 115.361 115.361 115.909 -0.548 25079 3526 1 17 . 1 1 19 19 THR HA H 19 4.252 4.252 4.020 0.232 25079 3527 1 17 . 1 1 19 19 THR CA C 19 68.380 68.380 66.383 1.997 25079 3528 1 17 . 1 1 19 19 THR CB C 19 67.094 67.094 68.739 -1.645 25079 3529 1 17 . 1 1 19 19 THR H H 19 7.951 7.951 7.567 0.384 25079 3530 1 17 . 1 1 20 20 LEU N N 20 119.190 119.190 121.776 -2.586 25079 3531 1 17 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.293 -0.331 25079 3532 1 17 . 1 1 20 20 LEU CA C 20 58.313 58.313 56.753 1.560 25079 3533 1 17 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.185 0.623 25079 3534 1 17 . 1 1 20 20 LEU H H 20 8.334 8.334 7.622 0.712 25079 3535 1 17 . 1 1 21 21 SER N N 21 114.597 114.597 115.690 -1.093 25079 3536 1 17 . 1 1 21 21 SER HA H 21 4.027 4.027 4.226 -0.199 25079 3537 1 17 . 1 1 21 21 SER CA C 21 63.605 63.605 61.580 2.025 25079 3538 1 17 . 1 1 21 21 SER CB C 21 63.022 63.022 63.105 -0.083 25079 3539 1 17 . 1 1 21 21 SER H H 21 8.195 8.195 8.396 -0.201 25079 3540 1 17 . 1 1 22 22 LEU N N 22 120.987 120.987 122.750 -1.763 25079 3541 1 17 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.966 0.030 25079 3542 1 17 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.268 -0.134 25079 3543 1 17 . 1 1 22 22 LEU CB C 22 41.602 41.602 42.053 -0.451 25079 3544 1 17 . 1 1 22 22 LEU H H 22 7.881 7.881 7.728 0.153 25079 3545 1 17 . 1 1 23 23 ILE N N 23 118.022 118.022 115.282 2.740 25079 3546 1 17 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.802 -0.322 25079 3547 1 17 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.467 1.301 25079 3548 1 17 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.488 -0.225 25079 3549 1 17 . 1 1 23 23 ILE H H 23 7.987 7.987 7.336 0.651 25079 3550 1 17 . 1 1 24 24 LEU N N 24 118.701 118.701 122.557 -3.856 25079 3551 1 17 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.061 -0.136 25079 3552 1 17 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.143 0.443 25079 3553 1 17 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.669 0.952 25079 3554 1 17 . 1 1 24 24 LEU H H 24 8.174 8.174 7.685 0.489 25079 3555 1 17 . 1 1 25 25 VAL N N 25 117.708 117.708 118.823 -1.115 25079 3556 1 17 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.765 0.662 25079 3557 1 17 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.025 1.683 25079 3558 1 17 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.893 0.646 25079 3559 1 17 . 1 1 25 25 VAL H H 25 8.118 8.118 8.646 -0.528 25079 3560 1 17 . 1 1 26 26 VAL N N 26 118.872 118.872 120.925 -2.053 25079 3561 1 17 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.747 -0.374 25079 3562 1 17 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.010 1.843 25079 3563 1 17 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.331 -0.361 25079 3564 1 17 . 1 1 26 26 VAL H H 26 8.140 8.140 7.515 0.625 25079 3565 1 17 . 1 1 27 27 ILE N N 27 118.715 118.715 117.570 1.145 25079 3566 1 17 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.848 -0.321 25079 3567 1 17 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.837 1.085 25079 3568 1 17 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.415 -0.088 25079 3569 1 17 . 1 1 27 27 ILE H H 27 8.336 8.336 8.407 -0.071 25079 3570 1 17 . 1 1 28 28 LEU N N 28 119.343 119.343 121.599 -2.256 25079 3571 1 17 . 1 1 28 28 LEU HA H 28 3.981 3.981 4.065 -0.084 25079 3572 1 17 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.315 0.311 25079 3573 1 17 . 1 1 28 28 LEU CB C 28 41.415 41.415 41.439 -0.024 25079 3574 1 17 . 1 1 28 28 LEU H H 28 8.494 8.494 7.825 0.669 25079 3575 1 17 . 1 1 29 29 VAL N N 29 121.451 121.451 118.202 3.249 25079 3576 1 17 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.631 -0.167 25079 3577 1 17 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.810 0.872 25079 3578 1 17 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.152 0.020 25079 3579 1 17 . 1 1 29 29 VAL H H 29 8.696 8.696 7.537 1.159 25079 3580 1 17 . 1 1 30 30 LEU N N 30 119.811 119.811 119.271 0.540 25079 3581 1 17 . 1 1 30 30 LEU HA H 30 3.901 3.901 4.002 -0.101 25079 3582 1 17 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.738 1.045 25079 3583 1 17 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.728 -0.213 25079 3584 1 17 . 1 1 30 30 LEU H H 30 8.534 8.534 7.677 0.857 25079 3585 1 17 . 1 1 31 31 LEU N N 31 117.365 117.365 119.100 -1.735 25079 3586 1 17 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.052 -0.106 25079 3587 1 17 . 1 1 31 31 LEU CA C 31 58.443 58.443 57.895 0.548 25079 3588 1 17 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.744 1.058 25079 3589 1 17 . 1 1 31 31 LEU H H 31 8.770 8.770 7.740 1.030 25079 3590 1 17 . 1 1 32 32 THR N N 32 116.494 116.494 113.578 2.916 25079 3591 1 17 . 1 1 32 32 THR HA H 32 4.311 4.311 3.901 0.410 25079 3592 1 17 . 1 1 32 32 THR CA C 32 68.534 68.534 66.430 2.104 25079 3593 1 17 . 1 1 32 32 THR CB C 32 67.727 67.727 68.810 -1.083 25079 3594 1 17 . 1 1 32 32 THR H H 32 8.016 8.016 7.812 0.204 25079 3595 1 17 . 1 1 33 33 VAL N N 33 120.644 120.644 122.807 -2.163 25079 3596 1 17 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.726 -0.227 25079 3597 1 17 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.289 1.316 25079 3598 1 17 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.113 0.355 25079 3599 1 17 . 1 1 33 33 VAL H H 33 8.430 8.430 7.774 0.656 25079 3600 1 17 . 1 1 34 34 LEU N N 34 118.815 118.815 120.160 -1.345 25079 3601 1 17 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.883 0.111 25079 3602 1 17 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.471 -0.038 25079 3603 1 17 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.350 0.193 25079 3604 1 17 . 1 1 34 34 LEU H H 34 8.424 8.424 7.659 0.765 25079 3605 1 17 . 1 1 35 35 ALA N N 35 122.308 122.308 122.701 -0.393 25079 3606 1 17 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.076 -0.083 25079 3607 1 17 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.019 0.685 25079 3608 1 17 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.382 0.064 25079 3609 1 17 . 1 1 35 35 ALA H H 35 8.646 8.646 8.243 0.403 25079 3610 1 17 . 1 1 36 36 LEU N N 36 118.240 118.240 120.296 -2.056 25079 3611 1 17 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.992 0.066 25079 3612 1 17 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.591 -0.513 25079 3613 1 17 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.016 0.014 25079 3614 1 17 . 1 1 36 36 LEU H H 36 8.442 8.442 8.102 0.340 25079 3615 1 17 . 1 1 37 37 LEU N N 37 117.383 117.383 119.116 -1.733 25079 3616 1 17 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.864 0.224 25079 3617 1 17 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.738 -1.072 25079 3618 1 17 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.710 0.393 25079 3619 1 17 . 1 1 37 37 LEU H H 37 8.499 8.499 8.289 0.210 25079 3620 1 17 . 1 1 38 38 SER N N 38 113.837 113.837 114.698 -0.861 25079 3621 1 17 . 1 1 38 38 SER HA H 38 4.235 4.235 4.025 0.210 25079 3622 1 17 . 1 1 38 38 SER CA C 38 61.318 61.318 61.822 -0.504 25079 3623 1 17 . 1 1 38 38 SER CB C 38 63.438 63.438 63.073 0.365 25079 3624 1 17 . 1 1 38 38 SER H H 38 8.155 8.155 8.604 -0.449 25079 3625 1 17 . 1 1 39 39 HIS N N 39 119.819 119.819 122.556 -2.737 25079 3626 1 17 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.291 0.486 25079 3627 1 17 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.468 -3.156 25079 3628 1 17 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.788 1.005 25079 3629 1 17 . 1 1 39 39 HIS H H 39 8.017 8.017 8.511 -0.494 25079 3630 1 17 . 1 1 40 40 ARG N N 40 119.165 119.165 119.325 -0.160 25079 3631 1 17 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.889 -1.120 25079 3632 1 17 . 1 1 40 40 ARG H H 40 7.785 7.785 8.583 -0.798 25079 3633 1 17 . 1 1 41 41 ARG N N 41 119.761 119.761 119.472 0.289 25079 3634 1 17 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.128 -0.012 25079 3635 1 17 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.097 -0.186 25079 3636 1 17 . 1 1 41 41 ARG CB C 41 29.575 29.575 30.106 -0.531 25079 3637 1 17 . 1 1 41 41 ARG H H 41 8.358 8.358 7.993 0.365 25079 3638 1 17 . 1 1 42 42 ALA N N 42 121.554 121.554 122.267 -0.713 25079 3639 1 17 . 1 1 42 42 ALA HA H 42 4.204 4.204 3.994 0.210 25079 3640 1 17 . 1 1 42 42 ALA CA C 42 54.191 54.191 54.973 -0.782 25079 3641 1 17 . 1 1 42 42 ALA CB C 42 18.529 18.529 17.988 0.541 25079 3642 1 17 . 1 1 42 42 ALA H H 42 8.098 8.098 8.223 -0.125 25079 3643 1 17 . 1 1 43 43 LEU N N 43 117.383 117.383 118.439 -1.056 25079 3644 1 17 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.900 0.161 25079 3645 1 17 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.778 -0.467 25079 3646 1 17 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.797 0.688 25079 3647 1 17 . 1 1 43 43 LEU H H 43 7.986 7.986 8.097 -0.111 25079 3648 1 17 . 1 1 44 44 LYS N N 44 118.908 118.908 118.430 0.478 25079 3649 1 17 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.979 0.064 25079 3650 1 17 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.742 0.160 25079 3651 1 17 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.086 0.544 25079 3652 1 17 . 1 1 44 44 LYS H H 44 8.258 8.258 7.725 0.533 25079 3653 1 17 . 1 1 45 45 GLN N N 45 115.858 115.858 119.198 -3.340 25079 3654 1 17 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.373 -0.251 25079 3655 1 17 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.207 -0.814 25079 3656 1 17 . 1 1 45 45 GLN CB C 45 28.647 28.647 29.003 -0.356 25079 3657 1 17 . 1 1 45 45 GLN H H 45 7.764 7.764 7.844 -0.080 25079 3658 1 17 . 1 1 46 46 LYS N N 46 117.155 117.155 117.903 -0.748 25079 3659 1 17 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.098 0.079 25079 3660 1 17 . 1 1 46 46 LYS CA C 46 57.133 57.133 59.067 -1.934 25079 3661 1 17 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.856 0.151 25079 3662 1 17 . 1 1 46 46 LYS H H 46 7.620 7.620 7.818 -0.198 25079 3663 1 17 . 1 1 47 47 ILE N N 47 116.662 116.662 116.946 -0.284 25079 3664 1 17 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.228 -0.481 25079 3665 1 17 . 1 1 47 47 ILE CA C 47 62.689 62.689 61.821 0.868 25079 3666 1 17 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.105 -2.431 25079 3667 1 17 . 1 1 47 47 ILE H H 47 7.570 7.570 7.669 -0.099 25079 3668 1 17 . 1 1 48 48 TRP N N 48 118.880 118.880 122.389 -3.509 25079 3669 1 17 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.064 -0.068 25079 3670 1 17 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.286 1.307 25079 3671 1 17 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.583 -1.790 25079 3672 1 17 . 1 1 48 48 TRP H H 48 8.001 8.001 8.104 -0.103 25079 3673 1 18 . 1 1 2 2 SER CB C 2 63.463 63.463 64.203 -0.740 25079 3674 1 18 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.557 -0.115 25079 3675 1 18 . 1 1 4 4 PRO CA C 4 63.352 63.352 62.432 0.920 25079 3676 1 18 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.279 0.636 25079 3677 1 18 . 1 1 5 5 VAL N N 5 119.530 119.530 125.161 -5.631 25079 3678 1 18 . 1 1 5 5 VAL HA H 5 4.065 4.065 3.738 0.327 25079 3679 1 18 . 1 1 5 5 VAL CA C 5 62.546 62.546 64.398 -1.852 25079 3680 1 18 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.972 0.480 25079 3681 1 18 . 1 1 5 5 VAL H H 5 8.193 8.193 8.160 0.033 25079 3682 1 18 . 1 1 6 6 SER N N 6 118.536 118.536 114.902 3.634 25079 3683 1 18 . 1 1 6 6 SER HA H 6 4.474 4.474 4.172 0.302 25079 3684 1 18 . 1 1 6 6 SER CA C 6 58.259 58.259 60.694 -2.435 25079 3685 1 18 . 1 1 6 6 SER CB C 6 64.180 64.180 62.501 1.679 25079 3686 1 18 . 1 1 6 6 SER H H 6 8.246 8.246 8.252 -0.006 25079 3687 1 18 . 1 1 7 7 LEU N N 7 124.072 124.072 121.042 3.030 25079 3688 1 18 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.060 0.208 25079 3689 1 18 . 1 1 7 7 LEU CA C 7 55.879 55.879 56.377 -0.498 25079 3690 1 18 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.606 0.282 25079 3691 1 18 . 1 1 7 7 LEU H H 7 8.428 8.428 7.390 1.038 25079 3692 1 18 . 1 1 8 8 LEU N N 8 118.780 118.780 120.703 -1.923 25079 3693 1 18 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.177 0.207 25079 3694 1 18 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.940 -0.132 25079 3695 1 18 . 1 1 8 8 LEU CB C 8 42.968 42.968 41.428 1.540 25079 3696 1 18 . 1 1 8 8 LEU H H 8 7.911 7.911 7.453 0.458 25079 3697 1 18 . 1 1 9 9 THR N N 9 114.528 114.528 117.740 -3.212 25079 3698 1 18 . 1 1 9 9 THR CA C 9 59.552 59.552 60.684 -1.132 25079 3699 1 18 . 1 1 9 9 THR CB C 9 69.588 69.588 68.586 1.002 25079 3700 1 18 . 1 1 9 9 THR H H 9 8.030 8.030 7.937 0.093 25079 3701 1 18 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.322 0.047 25079 3702 1 18 . 1 1 10 10 PRO CA C 10 64.206 64.206 65.173 -0.967 25079 3703 1 18 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.841 0.086 25079 3704 1 18 . 1 1 11 11 SER N N 11 113.430 113.430 113.043 0.387 25079 3705 1 18 . 1 1 11 11 SER HA H 11 4.293 4.293 4.319 -0.026 25079 3706 1 18 . 1 1 11 11 SER CA C 11 59.677 59.677 59.359 0.318 25079 3707 1 18 . 1 1 11 11 SER CB C 11 63.851 63.851 62.934 0.917 25079 3708 1 18 . 1 1 11 11 SER H H 11 8.217 8.217 8.319 -0.102 25079 3709 1 18 . 1 1 12 12 ASP N N 12 120.212 120.212 120.734 -0.522 25079 3710 1 18 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.833 -0.207 25079 3711 1 18 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.220 1.489 25079 3712 1 18 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.491 -0.038 25079 3713 1 18 . 1 1 12 12 ASP H H 12 8.122 8.122 7.537 0.585 25079 3714 1 18 . 1 1 13 13 LEU N N 13 120.144 120.144 123.413 -3.269 25079 3715 1 18 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.189 0.147 25079 3716 1 18 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.718 -1.131 25079 3717 1 18 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.065 2.233 25079 3718 1 18 . 1 1 13 13 LEU H H 13 7.719 7.719 7.465 0.254 25079 3719 1 18 . 1 1 14 14 ASP N N 14 123.659 123.659 127.086 -3.427 25079 3720 1 18 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.907 1.631 25079 3721 1 18 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.937 1.234 25079 3722 1 18 . 1 1 14 14 ASP H H 14 8.289 8.289 8.468 -0.179 25079 3723 1 18 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.519 -0.267 25079 3724 1 18 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.001 1.530 25079 3725 1 18 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.336 -0.012 25079 3726 1 18 . 1 1 16 16 LEU N N 16 120.965 120.965 118.898 2.067 25079 3727 1 18 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.027 0.148 25079 3728 1 18 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.883 0.569 25079 3729 1 18 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.391 -0.056 25079 3730 1 18 . 1 1 16 16 LEU H H 16 8.639 8.639 7.998 0.641 25079 3731 1 18 . 1 1 17 17 ILE N N 17 118.865 118.865 115.108 3.757 25079 3732 1 18 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.698 0.008 25079 3733 1 18 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.944 0.389 25079 3734 1 18 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.158 -0.450 25079 3735 1 18 . 1 1 17 17 ILE H H 17 7.831 7.831 7.496 0.335 25079 3736 1 18 . 1 1 18 18 LEU N N 18 121.654 121.654 121.679 -0.025 25079 3737 1 18 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.931 0.072 25079 3738 1 18 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.546 0.123 25079 3739 1 18 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.694 0.034 25079 3740 1 18 . 1 1 18 18 LEU H H 18 8.229 8.229 8.177 0.052 25079 3741 1 18 . 1 1 19 19 THR N N 19 115.361 115.361 115.250 0.111 25079 3742 1 18 . 1 1 19 19 THR HA H 19 4.252 4.252 4.027 0.225 25079 3743 1 18 . 1 1 19 19 THR CA C 19 68.380 68.380 66.433 1.947 25079 3744 1 18 . 1 1 19 19 THR CB C 19 67.094 67.094 68.269 -1.175 25079 3745 1 18 . 1 1 19 19 THR H H 19 7.951 7.951 8.171 -0.220 25079 3746 1 18 . 1 1 20 20 LEU N N 20 119.190 119.190 121.675 -2.485 25079 3747 1 18 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.304 -0.342 25079 3748 1 18 . 1 1 20 20 LEU CA C 20 58.313 58.313 56.699 1.614 25079 3749 1 18 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.071 0.737 25079 3750 1 18 . 1 1 20 20 LEU H H 20 8.334 8.334 7.441 0.893 25079 3751 1 18 . 1 1 21 21 SER N N 21 114.597 114.597 115.955 -1.358 25079 3752 1 18 . 1 1 21 21 SER HA H 21 4.027 4.027 4.198 -0.171 25079 3753 1 18 . 1 1 21 21 SER CA C 21 63.605 63.605 61.561 2.044 25079 3754 1 18 . 1 1 21 21 SER CB C 21 63.022 63.022 63.361 -0.339 25079 3755 1 18 . 1 1 21 21 SER H H 21 8.195 8.195 8.519 -0.324 25079 3756 1 18 . 1 1 22 22 LEU N N 22 120.987 120.987 122.721 -1.734 25079 3757 1 18 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.002 -0.006 25079 3758 1 18 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.214 -0.080 25079 3759 1 18 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.437 0.165 25079 3760 1 18 . 1 1 22 22 LEU H H 22 7.881 7.881 8.210 -0.329 25079 3761 1 18 . 1 1 23 23 ILE N N 23 118.022 118.022 116.080 1.942 25079 3762 1 18 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.738 -0.258 25079 3763 1 18 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.488 1.280 25079 3764 1 18 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.387 -0.124 25079 3765 1 18 . 1 1 23 23 ILE H H 23 7.987 7.987 7.279 0.708 25079 3766 1 18 . 1 1 24 24 LEU N N 24 118.701 118.701 122.068 -3.367 25079 3767 1 18 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.033 -0.108 25079 3768 1 18 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.089 0.497 25079 3769 1 18 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.728 0.893 25079 3770 1 18 . 1 1 24 24 LEU H H 24 8.174 8.174 7.563 0.611 25079 3771 1 18 . 1 1 25 25 VAL N N 25 117.708 117.708 118.714 -1.006 25079 3772 1 18 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.750 0.677 25079 3773 1 18 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.403 1.305 25079 3774 1 18 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.052 0.487 25079 3775 1 18 . 1 1 25 25 VAL H H 25 8.118 8.118 8.625 -0.507 25079 3776 1 18 . 1 1 26 26 VAL N N 26 118.872 118.872 120.623 -1.751 25079 3777 1 18 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.654 -0.281 25079 3778 1 18 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.949 0.903 25079 3779 1 18 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.263 -0.293 25079 3780 1 18 . 1 1 26 26 VAL H H 26 8.140 8.140 7.387 0.753 25079 3781 1 18 . 1 1 27 27 ILE N N 27 118.715 118.715 116.925 1.790 25079 3782 1 18 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.763 -0.236 25079 3783 1 18 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.819 1.103 25079 3784 1 18 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.410 -0.083 25079 3785 1 18 . 1 1 27 27 ILE H H 27 8.336 8.336 7.822 0.514 25079 3786 1 18 . 1 1 28 28 LEU N N 28 119.343 119.343 121.895 -2.552 25079 3787 1 18 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.977 0.004 25079 3788 1 18 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.088 0.538 25079 3789 1 18 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.810 0.605 25079 3790 1 18 . 1 1 28 28 LEU H H 28 8.494 8.494 7.824 0.670 25079 3791 1 18 . 1 1 29 29 VAL N N 29 121.451 121.451 118.326 3.125 25079 3792 1 18 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.579 -0.115 25079 3793 1 18 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.776 0.906 25079 3794 1 18 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.643 -0.471 25079 3795 1 18 . 1 1 29 29 VAL H H 29 8.696 8.696 7.903 0.793 25079 3796 1 18 . 1 1 30 30 LEU N N 30 119.811 119.811 119.966 -0.155 25079 3797 1 18 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.969 -0.068 25079 3798 1 18 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.650 1.133 25079 3799 1 18 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.809 -0.294 25079 3800 1 18 . 1 1 30 30 LEU H H 30 8.534 8.534 7.701 0.833 25079 3801 1 18 . 1 1 31 31 LEU N N 31 117.365 117.365 119.687 -2.322 25079 3802 1 18 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.036 -0.090 25079 3803 1 18 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.149 0.294 25079 3804 1 18 . 1 1 31 31 LEU CB C 31 41.802 41.802 40.715 1.087 25079 3805 1 18 . 1 1 31 31 LEU H H 31 8.770 8.770 8.320 0.450 25079 3806 1 18 . 1 1 32 32 THR N N 32 116.494 116.494 113.756 2.738 25079 3807 1 18 . 1 1 32 32 THR HA H 32 4.311 4.311 3.913 0.398 25079 3808 1 18 . 1 1 32 32 THR CA C 32 68.534 68.534 66.543 1.991 25079 3809 1 18 . 1 1 32 32 THR CB C 32 67.727 67.727 68.808 -1.081 25079 3810 1 18 . 1 1 32 32 THR H H 32 8.016 8.016 7.818 0.198 25079 3811 1 18 . 1 1 33 33 VAL N N 33 120.644 120.644 122.956 -2.312 25079 3812 1 18 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.718 -0.219 25079 3813 1 18 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.624 0.981 25079 3814 1 18 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.287 0.181 25079 3815 1 18 . 1 1 33 33 VAL H H 33 8.430 8.430 7.778 0.652 25079 3816 1 18 . 1 1 34 34 LEU N N 34 118.815 118.815 120.222 -1.407 25079 3817 1 18 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.980 0.014 25079 3818 1 18 . 1 1 34 34 LEU CA C 34 58.433 58.433 57.952 0.481 25079 3819 1 18 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.111 0.432 25079 3820 1 18 . 1 1 34 34 LEU H H 34 8.424 8.424 7.651 0.773 25079 3821 1 18 . 1 1 35 35 ALA N N 35 122.308 122.308 122.606 -0.298 25079 3822 1 18 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.978 0.015 25079 3823 1 18 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.328 0.376 25079 3824 1 18 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.112 0.334 25079 3825 1 18 . 1 1 35 35 ALA H H 35 8.646 8.646 8.463 0.183 25079 3826 1 18 . 1 1 36 36 LEU N N 36 118.240 118.240 119.917 -1.677 25079 3827 1 18 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.029 0.029 25079 3828 1 18 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.892 0.185 25079 3829 1 18 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.100 -0.070 25079 3830 1 18 . 1 1 36 36 LEU H H 36 8.442 8.442 8.225 0.217 25079 3831 1 18 . 1 1 37 37 LEU N N 37 117.383 117.383 119.488 -2.105 25079 3832 1 18 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.875 0.213 25079 3833 1 18 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.555 -0.889 25079 3834 1 18 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.368 0.735 25079 3835 1 18 . 1 1 37 37 LEU H H 37 8.499 8.499 7.963 0.536 25079 3836 1 18 . 1 1 38 38 SER N N 38 113.837 113.837 114.509 -0.672 25079 3837 1 18 . 1 1 38 38 SER HA H 38 4.235 4.235 4.046 0.189 25079 3838 1 18 . 1 1 38 38 SER CA C 38 61.318 61.318 62.114 -0.796 25079 3839 1 18 . 1 1 38 38 SER CB C 38 63.438 63.438 62.959 0.479 25079 3840 1 18 . 1 1 38 38 SER H H 38 8.155 8.155 8.187 -0.032 25079 3841 1 18 . 1 1 39 39 HIS N N 39 119.819 119.819 121.492 -1.673 25079 3842 1 18 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.332 0.445 25079 3843 1 18 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.047 -2.736 25079 3844 1 18 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.787 1.006 25079 3845 1 18 . 1 1 39 39 HIS H H 39 8.017 8.017 8.187 -0.170 25079 3846 1 18 . 1 1 40 40 ARG N N 40 119.165 119.165 119.210 -0.045 25079 3847 1 18 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.970 -1.201 25079 3848 1 18 . 1 1 40 40 ARG H H 40 7.785 7.785 8.593 -0.808 25079 3849 1 18 . 1 1 41 41 ARG N N 41 119.761 119.761 119.508 0.253 25079 3850 1 18 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.083 0.033 25079 3851 1 18 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.114 -0.203 25079 3852 1 18 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.990 -0.415 25079 3853 1 18 . 1 1 41 41 ARG H H 41 8.358 8.358 8.008 0.350 25079 3854 1 18 . 1 1 42 42 ALA N N 42 121.554 121.554 122.461 -0.907 25079 3855 1 18 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.045 0.159 25079 3856 1 18 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.166 -0.975 25079 3857 1 18 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.188 0.341 25079 3858 1 18 . 1 1 42 42 ALA H H 42 8.098 8.098 8.615 -0.517 25079 3859 1 18 . 1 1 43 43 LEU N N 43 117.383 117.383 119.257 -1.874 25079 3860 1 18 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.108 -0.047 25079 3861 1 18 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.806 -0.494 25079 3862 1 18 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.958 0.527 25079 3863 1 18 . 1 1 43 43 LEU H H 43 7.986 7.986 7.946 0.040 25079 3864 1 18 . 1 1 44 44 LYS N N 44 118.908 118.908 119.114 -0.206 25079 3865 1 18 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.955 0.088 25079 3866 1 18 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.381 0.521 25079 3867 1 18 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.301 0.329 25079 3868 1 18 . 1 1 44 44 LYS H H 44 8.258 8.258 7.919 0.339 25079 3869 1 18 . 1 1 45 45 GLN N N 45 115.858 115.858 119.085 -3.227 25079 3870 1 18 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.389 -0.267 25079 3871 1 18 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.275 -0.882 25079 3872 1 18 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.885 -0.238 25079 3873 1 18 . 1 1 45 45 GLN H H 45 7.764 7.764 8.244 -0.480 25079 3874 1 18 . 1 1 46 46 LYS N N 46 117.155 117.155 117.800 -0.645 25079 3875 1 18 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.122 0.055 25079 3876 1 18 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.677 -1.544 25079 3877 1 18 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.932 0.075 25079 3878 1 18 . 1 1 46 46 LYS H H 46 7.620 7.620 7.757 -0.137 25079 3879 1 18 . 1 1 47 47 ILE N N 47 116.662 116.662 116.701 -0.039 25079 3880 1 18 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.197 -0.450 25079 3881 1 18 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.031 0.658 25079 3882 1 18 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.516 -2.841 25079 3883 1 18 . 1 1 47 47 ILE H H 47 7.570 7.570 7.599 -0.029 25079 3884 1 18 . 1 1 48 48 TRP N N 48 118.880 118.880 122.299 -3.419 25079 3885 1 18 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.076 -0.080 25079 3886 1 18 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.471 1.122 25079 3887 1 18 . 1 1 48 48 TRP CB C 48 28.793 28.793 30.411 -1.618 25079 3888 1 18 . 1 1 48 48 TRP H H 48 8.001 8.001 8.100 -0.099 25079 3889 1 19 . 1 1 2 2 SER CB C 2 63.463 63.463 63.942 -0.479 25079 3890 1 19 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.658 -0.216 25079 3891 1 19 . 1 1 4 4 PRO CA C 4 63.352 63.352 62.231 1.121 25079 3892 1 19 . 1 1 4 4 PRO CB C 4 31.915 31.915 33.095 -1.180 25079 3893 1 19 . 1 1 5 5 VAL N N 5 119.530 119.530 119.159 0.371 25079 3894 1 19 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.255 -0.190 25079 3895 1 19 . 1 1 5 5 VAL CA C 5 62.546 62.546 61.640 0.906 25079 3896 1 19 . 1 1 5 5 VAL CB C 5 32.452 32.452 31.278 1.174 25079 3897 1 19 . 1 1 5 5 VAL H H 5 8.193 8.193 8.085 0.108 25079 3898 1 19 . 1 1 6 6 SER N N 6 118.536 118.536 112.401 6.135 25079 3899 1 19 . 1 1 6 6 SER HA H 6 4.474 4.474 4.166 0.308 25079 3900 1 19 . 1 1 6 6 SER CA C 6 58.259 58.259 58.928 -0.670 25079 3901 1 19 . 1 1 6 6 SER CB C 6 64.180 64.180 62.758 1.422 25079 3902 1 19 . 1 1 6 6 SER H H 6 8.246 8.246 7.885 0.361 25079 3903 1 19 . 1 1 7 7 LEU N N 7 124.072 124.072 120.514 3.558 25079 3904 1 19 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.285 -0.017 25079 3905 1 19 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.917 -0.038 25079 3906 1 19 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.572 0.316 25079 3907 1 19 . 1 1 7 7 LEU H H 7 8.428 8.428 7.612 0.816 25079 3908 1 19 . 1 1 8 8 LEU N N 8 118.780 118.780 122.011 -3.231 25079 3909 1 19 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.850 -0.466 25079 3910 1 19 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.019 0.789 25079 3911 1 19 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.826 0.142 25079 3912 1 19 . 1 1 8 8 LEU H H 8 7.911 7.911 8.003 -0.092 25079 3913 1 19 . 1 1 9 9 THR N N 9 114.528 114.528 111.892 2.636 25079 3914 1 19 . 1 1 9 9 THR CA C 9 59.552 59.552 58.473 1.079 25079 3915 1 19 . 1 1 9 9 THR CB C 9 69.588 69.588 70.465 -0.877 25079 3916 1 19 . 1 1 9 9 THR H H 9 8.030 8.030 8.008 0.022 25079 3917 1 19 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.360 0.009 25079 3918 1 19 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.792 -0.586 25079 3919 1 19 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.867 0.060 25079 3920 1 19 . 1 1 11 11 SER N N 11 113.430 113.430 113.802 -0.372 25079 3921 1 19 . 1 1 11 11 SER HA H 11 4.293 4.293 4.299 -0.006 25079 3922 1 19 . 1 1 11 11 SER CA C 11 59.677 59.677 60.143 -0.466 25079 3923 1 19 . 1 1 11 11 SER CB C 11 63.851 63.851 62.787 1.064 25079 3924 1 19 . 1 1 11 11 SER H H 11 8.217 8.217 7.894 0.323 25079 3925 1 19 . 1 1 12 12 ASP N N 12 120.212 120.212 120.492 -0.280 25079 3926 1 19 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.820 -0.194 25079 3927 1 19 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.370 1.339 25079 3928 1 19 . 1 1 12 12 ASP CB C 12 41.453 41.453 42.558 -1.105 25079 3929 1 19 . 1 1 12 12 ASP H H 12 8.122 8.122 7.606 0.516 25079 3930 1 19 . 1 1 13 13 LEU N N 13 120.144 120.144 123.116 -2.972 25079 3931 1 19 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.178 0.158 25079 3932 1 19 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.609 -1.021 25079 3933 1 19 . 1 1 13 13 LEU CB C 13 43.298 43.298 39.755 3.543 25079 3934 1 19 . 1 1 13 13 LEU H H 13 7.719 7.719 7.583 0.136 25079 3935 1 19 . 1 1 14 14 ASP N N 14 123.659 123.659 126.806 -3.147 25079 3936 1 19 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.800 1.738 25079 3937 1 19 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.913 1.258 25079 3938 1 19 . 1 1 14 14 ASP H H 14 8.289 8.289 8.603 -0.314 25079 3939 1 19 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.229 0.023 25079 3940 1 19 . 1 1 15 15 PRO CA C 15 65.531 65.531 65.375 0.156 25079 3941 1 19 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.932 0.392 25079 3942 1 19 . 1 1 16 16 LEU N N 16 120.965 120.965 117.821 3.144 25079 3943 1 19 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.002 0.173 25079 3944 1 19 . 1 1 16 16 LEU CA C 16 58.452 58.452 58.472 -0.020 25079 3945 1 19 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.213 0.122 25079 3946 1 19 . 1 1 16 16 LEU H H 16 8.639 8.639 7.853 0.786 25079 3947 1 19 . 1 1 17 17 ILE N N 17 118.865 118.865 117.796 1.069 25079 3948 1 19 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.828 -0.122 25079 3949 1 19 . 1 1 17 17 ILE CA C 17 64.333 64.333 63.561 0.772 25079 3950 1 19 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.154 -0.446 25079 3951 1 19 . 1 1 17 17 ILE H H 17 7.831 7.831 7.807 0.024 25079 3952 1 19 . 1 1 18 18 LEU N N 18 121.654 121.654 121.764 -0.110 25079 3953 1 19 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.908 0.095 25079 3954 1 19 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.840 -0.171 25079 3955 1 19 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.746 -0.018 25079 3956 1 19 . 1 1 18 18 LEU H H 18 8.229 8.229 8.277 -0.048 25079 3957 1 19 . 1 1 19 19 THR N N 19 115.361 115.361 116.143 -0.782 25079 3958 1 19 . 1 1 19 19 THR HA H 19 4.252 4.252 4.006 0.246 25079 3959 1 19 . 1 1 19 19 THR CA C 19 68.380 68.380 66.749 1.631 25079 3960 1 19 . 1 1 19 19 THR CB C 19 67.094 67.094 68.752 -1.658 25079 3961 1 19 . 1 1 19 19 THR H H 19 7.951 7.951 7.721 0.230 25079 3962 1 19 . 1 1 20 20 LEU N N 20 119.190 119.190 122.013 -2.823 25079 3963 1 19 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.143 -0.181 25079 3964 1 19 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.457 0.856 25079 3965 1 19 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.942 -0.134 25079 3966 1 19 . 1 1 20 20 LEU H H 20 8.334 8.334 7.552 0.782 25079 3967 1 19 . 1 1 21 21 SER N N 21 114.597 114.597 115.460 -0.863 25079 3968 1 19 . 1 1 21 21 SER HA H 21 4.027 4.027 4.195 -0.168 25079 3969 1 19 . 1 1 21 21 SER CA C 21 63.605 63.605 61.711 1.894 25079 3970 1 19 . 1 1 21 21 SER CB C 21 63.022 63.022 63.195 -0.173 25079 3971 1 19 . 1 1 21 21 SER H H 21 8.195 8.195 8.397 -0.202 25079 3972 1 19 . 1 1 22 22 LEU N N 22 120.987 120.987 122.353 -1.366 25079 3973 1 19 . 1 1 22 22 LEU HA H 22 3.996 3.996 4.026 -0.030 25079 3974 1 19 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.448 -0.314 25079 3975 1 19 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.551 0.051 25079 3976 1 19 . 1 1 22 22 LEU H H 22 7.881 7.881 7.724 0.157 25079 3977 1 19 . 1 1 23 23 ILE N N 23 118.022 118.022 115.510 2.512 25079 3978 1 19 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.702 -0.222 25079 3979 1 19 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.649 1.119 25079 3980 1 19 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.357 -0.094 25079 3981 1 19 . 1 1 23 23 ILE H H 23 7.987 7.987 7.445 0.542 25079 3982 1 19 . 1 1 24 24 LEU N N 24 118.701 118.701 121.883 -3.182 25079 3983 1 19 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.085 -0.160 25079 3984 1 19 . 1 1 24 24 LEU CA C 24 58.586 58.586 57.900 0.686 25079 3985 1 19 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.724 0.897 25079 3986 1 19 . 1 1 24 24 LEU H H 24 8.174 8.174 7.562 0.612 25079 3987 1 19 . 1 1 25 25 VAL N N 25 117.708 117.708 119.216 -1.508 25079 3988 1 19 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.719 0.708 25079 3989 1 19 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.304 1.404 25079 3990 1 19 . 1 1 25 25 VAL CB C 25 31.539 31.539 30.992 0.547 25079 3991 1 19 . 1 1 25 25 VAL H H 25 8.118 8.118 8.484 -0.366 25079 3992 1 19 . 1 1 26 26 VAL N N 26 118.872 118.872 120.823 -1.951 25079 3993 1 19 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.697 -0.324 25079 3994 1 19 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.817 1.035 25079 3995 1 19 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.432 -0.462 25079 3996 1 19 . 1 1 26 26 VAL H H 26 8.140 8.140 7.715 0.425 25079 3997 1 19 . 1 1 27 27 ILE N N 27 118.715 118.715 120.122 -1.407 25079 3998 1 19 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.779 -0.252 25079 3999 1 19 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.204 1.718 25079 4000 1 19 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.481 -0.154 25079 4001 1 19 . 1 1 27 27 ILE H H 27 8.336 8.336 7.578 0.758 25079 4002 1 19 . 1 1 28 28 LEU N N 28 119.343 119.343 121.889 -2.546 25079 4003 1 19 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.999 -0.018 25079 4004 1 19 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.217 0.409 25079 4005 1 19 . 1 1 28 28 LEU CB C 28 41.415 41.415 41.368 0.047 25079 4006 1 19 . 1 1 28 28 LEU H H 28 8.494 8.494 7.572 0.922 25079 4007 1 19 . 1 1 29 29 VAL N N 29 121.451 121.451 118.376 3.075 25079 4008 1 19 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.627 -0.163 25079 4009 1 19 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.924 0.758 25079 4010 1 19 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.243 -0.071 25079 4011 1 19 . 1 1 29 29 VAL H H 29 8.696 8.696 7.596 1.100 25079 4012 1 19 . 1 1 30 30 LEU N N 30 119.811 119.811 120.350 -0.539 25079 4013 1 19 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.952 -0.051 25079 4014 1 19 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.808 0.975 25079 4015 1 19 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.649 -0.134 25079 4016 1 19 . 1 1 30 30 LEU H H 30 8.534 8.534 7.756 0.778 25079 4017 1 19 . 1 1 31 31 LEU N N 31 117.365 117.365 119.034 -1.669 25079 4018 1 19 . 1 1 31 31 LEU HA H 31 3.946 3.946 3.945 0.001 25079 4019 1 19 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.342 0.101 25079 4020 1 19 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.581 0.221 25079 4021 1 19 . 1 1 31 31 LEU H H 31 8.770 8.770 8.150 0.620 25079 4022 1 19 . 1 1 32 32 THR N N 32 116.494 116.494 114.269 2.225 25079 4023 1 19 . 1 1 32 32 THR HA H 32 4.311 4.311 3.977 0.334 25079 4024 1 19 . 1 1 32 32 THR CA C 32 68.534 68.534 65.899 2.635 25079 4025 1 19 . 1 1 32 32 THR CB C 32 67.727 67.727 68.064 -0.337 25079 4026 1 19 . 1 1 32 32 THR H H 32 8.016 8.016 7.801 0.215 25079 4027 1 19 . 1 1 33 33 VAL N N 33 120.644 120.644 122.509 -1.865 25079 4028 1 19 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.605 -0.106 25079 4029 1 19 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.769 0.836 25079 4030 1 19 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.591 -0.123 25079 4031 1 19 . 1 1 33 33 VAL H H 33 8.430 8.430 7.854 0.576 25079 4032 1 19 . 1 1 34 34 LEU N N 34 118.815 118.815 119.892 -1.077 25079 4033 1 19 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.841 0.153 25079 4034 1 19 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.132 0.301 25079 4035 1 19 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.513 0.030 25079 4036 1 19 . 1 1 34 34 LEU H H 34 8.424 8.424 7.553 0.871 25079 4037 1 19 . 1 1 35 35 ALA N N 35 122.308 122.308 122.268 0.040 25079 4038 1 19 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.670 0.323 25079 4039 1 19 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.103 0.601 25079 4040 1 19 . 1 1 35 35 ALA CB C 35 18.446 18.446 17.879 0.567 25079 4041 1 19 . 1 1 35 35 ALA H H 35 8.646 8.646 8.122 0.524 25079 4042 1 19 . 1 1 36 36 LEU N N 36 118.240 118.240 119.849 -1.609 25079 4043 1 19 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.980 0.078 25079 4044 1 19 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.909 0.169 25079 4045 1 19 . 1 1 36 36 LEU CB C 36 42.030 42.030 42.069 -0.039 25079 4046 1 19 . 1 1 36 36 LEU H H 36 8.442 8.442 8.029 0.413 25079 4047 1 19 . 1 1 37 37 LEU N N 37 117.383 117.383 119.312 -1.929 25079 4048 1 19 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.870 0.218 25079 4049 1 19 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.353 -0.687 25079 4050 1 19 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.603 0.500 25079 4051 1 19 . 1 1 37 37 LEU H H 37 8.499 8.499 7.951 0.548 25079 4052 1 19 . 1 1 38 38 SER N N 38 113.837 113.837 115.481 -1.644 25079 4053 1 19 . 1 1 38 38 SER HA H 38 4.235 4.235 4.019 0.216 25079 4054 1 19 . 1 1 38 38 SER CA C 38 61.318 61.318 62.023 -0.705 25079 4055 1 19 . 1 1 38 38 SER CB C 38 63.438 63.438 62.898 0.540 25079 4056 1 19 . 1 1 38 38 SER H H 38 8.155 8.155 8.602 -0.447 25079 4057 1 19 . 1 1 39 39 HIS N N 39 119.819 119.819 120.614 -0.795 25079 4058 1 19 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.400 0.377 25079 4059 1 19 . 1 1 39 39 HIS CA C 39 57.311 57.311 58.466 -1.155 25079 4060 1 19 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.480 1.312 25079 4061 1 19 . 1 1 39 39 HIS H H 39 8.017 8.017 8.218 -0.201 25079 4062 1 19 . 1 1 40 40 ARG N N 40 119.165 119.165 119.985 -0.820 25079 4063 1 19 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.299 -0.530 25079 4064 1 19 . 1 1 40 40 ARG H H 40 7.785 7.785 8.476 -0.691 25079 4065 1 19 . 1 1 41 41 ARG N N 41 119.761 119.761 119.813 -0.052 25079 4066 1 19 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.096 0.020 25079 4067 1 19 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.108 -0.197 25079 4068 1 19 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.877 -0.302 25079 4069 1 19 . 1 1 41 41 ARG H H 41 8.358 8.358 8.070 0.288 25079 4070 1 19 . 1 1 42 42 ALA N N 42 121.554 121.554 121.787 -0.233 25079 4071 1 19 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.036 0.168 25079 4072 1 19 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.175 -0.984 25079 4073 1 19 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.474 0.055 25079 4074 1 19 . 1 1 42 42 ALA H H 42 8.098 8.098 7.945 0.153 25079 4075 1 19 . 1 1 43 43 LEU N N 43 117.383 117.383 118.788 -1.405 25079 4076 1 19 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.952 0.109 25079 4077 1 19 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.728 -0.417 25079 4078 1 19 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.863 0.622 25079 4079 1 19 . 1 1 43 43 LEU H H 43 7.986 7.986 8.003 -0.017 25079 4080 1 19 . 1 1 44 44 LYS N N 44 118.908 118.908 118.927 -0.019 25079 4081 1 19 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.958 0.085 25079 4082 1 19 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.605 0.297 25079 4083 1 19 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.308 0.322 25079 4084 1 19 . 1 1 44 44 LYS H H 44 8.258 8.258 7.943 0.315 25079 4085 1 19 . 1 1 45 45 GLN N N 45 115.858 115.858 118.963 -3.105 25079 4086 1 19 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.253 -0.131 25079 4087 1 19 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.428 -1.035 25079 4088 1 19 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.922 -0.275 25079 4089 1 19 . 1 1 45 45 GLN H H 45 7.764 7.764 7.766 -0.002 25079 4090 1 19 . 1 1 46 46 LYS N N 46 117.155 117.155 117.766 -0.611 25079 4091 1 19 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.155 0.022 25079 4092 1 19 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.692 -1.559 25079 4093 1 19 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.962 0.044 25079 4094 1 19 . 1 1 46 46 LYS H H 46 7.620 7.620 7.705 -0.085 25079 4095 1 19 . 1 1 47 47 ILE N N 47 116.662 116.662 116.366 0.296 25079 4096 1 19 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.276 -0.529 25079 4097 1 19 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.199 0.490 25079 4098 1 19 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.649 -2.975 25079 4099 1 19 . 1 1 47 47 ILE H H 47 7.570 7.570 7.714 -0.144 25079 4100 1 19 . 1 1 48 48 TRP N N 48 118.880 118.880 121.816 -2.936 25079 4101 1 19 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.011 -0.015 25079 4102 1 19 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.387 1.206 25079 4103 1 19 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.317 -2.525 25079 4104 1 19 . 1 1 48 48 TRP H H 48 8.001 8.001 8.095 -0.094 25079 4105 1 20 . 1 1 2 2 SER CB C 2 63.463 63.463 63.180 0.283 25079 4106 1 20 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.430 0.012 25079 4107 1 20 . 1 1 4 4 PRO CA C 4 63.352 63.352 62.296 1.056 25079 4108 1 20 . 1 1 4 4 PRO CB C 4 31.915 31.915 30.864 1.050 25079 4109 1 20 . 1 1 5 5 VAL N N 5 119.530 119.530 124.777 -5.247 25079 4110 1 20 . 1 1 5 5 VAL HA H 5 4.065 4.065 3.738 0.327 25079 4111 1 20 . 1 1 5 5 VAL CA C 5 62.546 62.546 63.504 -0.958 25079 4112 1 20 . 1 1 5 5 VAL CB C 5 32.452 32.452 30.265 2.187 25079 4113 1 20 . 1 1 5 5 VAL H H 5 8.193 8.193 8.112 0.081 25079 4114 1 20 . 1 1 6 6 SER N N 6 118.536 118.536 118.583 -0.047 25079 4115 1 20 . 1 1 6 6 SER HA H 6 4.474 4.474 4.198 0.276 25079 4116 1 20 . 1 1 6 6 SER CA C 6 58.259 58.259 59.822 -1.563 25079 4117 1 20 . 1 1 6 6 SER CB C 6 64.180 64.180 62.918 1.262 25079 4118 1 20 . 1 1 6 6 SER H H 6 8.246 8.246 8.500 -0.254 25079 4119 1 20 . 1 1 7 7 LEU N N 7 124.072 124.072 120.199 3.873 25079 4120 1 20 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.373 -0.105 25079 4121 1 20 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.275 0.604 25079 4122 1 20 . 1 1 7 7 LEU CB C 7 42.888 42.888 43.055 -0.167 25079 4123 1 20 . 1 1 7 7 LEU H H 7 8.428 8.428 7.262 1.166 25079 4124 1 20 . 1 1 8 8 LEU N N 8 118.780 118.780 116.593 2.187 25079 4125 1 20 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.097 0.287 25079 4126 1 20 . 1 1 8 8 LEU CA C 8 54.808 54.808 56.288 -1.480 25079 4127 1 20 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.281 0.687 25079 4128 1 20 . 1 1 8 8 LEU H H 8 7.911 7.911 7.572 0.339 25079 4129 1 20 . 1 1 9 9 THR N N 9 114.528 114.528 108.352 6.176 25079 4130 1 20 . 1 1 9 9 THR CA C 9 59.552 59.552 59.991 -0.439 25079 4131 1 20 . 1 1 9 9 THR CB C 9 69.588 69.588 68.601 0.987 25079 4132 1 20 . 1 1 9 9 THR H H 9 8.030 8.030 8.123 -0.093 25079 4133 1 20 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.384 -0.015 25079 4134 1 20 . 1 1 10 10 PRO CA C 10 64.206 64.206 65.160 -0.954 25079 4135 1 20 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.728 0.199 25079 4136 1 20 . 1 1 11 11 SER N N 11 113.430 113.430 111.540 1.890 25079 4137 1 20 . 1 1 11 11 SER HA H 11 4.293 4.293 4.293 0.000 25079 4138 1 20 . 1 1 11 11 SER CA C 11 59.677 59.677 60.188 -0.511 25079 4139 1 20 . 1 1 11 11 SER CB C 11 63.851 63.851 62.818 1.033 25079 4140 1 20 . 1 1 11 11 SER H H 11 8.217 8.217 8.389 -0.172 25079 4141 1 20 . 1 1 12 12 ASP N N 12 120.212 120.212 119.381 0.831 25079 4142 1 20 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.790 -0.164 25079 4143 1 20 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.644 1.065 25079 4144 1 20 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.516 -0.063 25079 4145 1 20 . 1 1 12 12 ASP H H 12 8.122 8.122 7.590 0.532 25079 4146 1 20 . 1 1 13 13 LEU N N 13 120.144 120.144 123.552 -3.408 25079 4147 1 20 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.184 0.152 25079 4148 1 20 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.989 -1.401 25079 4149 1 20 . 1 1 13 13 LEU CB C 13 43.298 43.298 41.374 1.924 25079 4150 1 20 . 1 1 13 13 LEU H H 13 7.719 7.719 7.521 0.198 25079 4151 1 20 . 1 1 14 14 ASP N N 14 123.659 123.659 126.381 -2.722 25079 4152 1 20 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.546 1.992 25079 4153 1 20 . 1 1 14 14 ASP CB C 14 43.171 43.171 41.913 1.258 25079 4154 1 20 . 1 1 14 14 ASP H H 14 8.289 8.289 8.619 -0.330 25079 4155 1 20 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.339 -0.087 25079 4156 1 20 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.696 0.835 25079 4157 1 20 . 1 1 15 15 PRO CB C 15 32.324 32.324 31.837 0.487 25079 4158 1 20 . 1 1 16 16 LEU N N 16 120.965 120.965 117.021 3.944 25079 4159 1 20 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.026 0.149 25079 4160 1 20 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.565 0.887 25079 4161 1 20 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.504 -0.169 25079 4162 1 20 . 1 1 16 16 LEU H H 16 8.639 8.639 7.857 0.782 25079 4163 1 20 . 1 1 17 17 ILE N N 17 118.865 118.865 117.961 0.904 25079 4164 1 20 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.708 -0.002 25079 4165 1 20 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.352 -0.019 25079 4166 1 20 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.148 -0.440 25079 4167 1 20 . 1 1 17 17 ILE H H 17 7.831 7.831 8.105 -0.274 25079 4168 1 20 . 1 1 18 18 LEU N N 18 121.654 121.654 120.975 0.679 25079 4169 1 20 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.926 0.077 25079 4170 1 20 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.588 0.081 25079 4171 1 20 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.621 0.107 25079 4172 1 20 . 1 1 18 18 LEU H H 18 8.229 8.229 8.406 -0.177 25079 4173 1 20 . 1 1 19 19 THR N N 19 115.361 115.361 113.157 2.204 25079 4174 1 20 . 1 1 19 19 THR HA H 19 4.252 4.252 3.975 0.277 25079 4175 1 20 . 1 1 19 19 THR CA C 19 68.380 68.380 66.093 2.287 25079 4176 1 20 . 1 1 19 19 THR CB C 19 67.094 67.094 68.705 -1.611 25079 4177 1 20 . 1 1 19 19 THR H H 19 7.951 7.951 8.109 -0.158 25079 4178 1 20 . 1 1 20 20 LEU N N 20 119.190 119.190 121.697 -2.507 25079 4179 1 20 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.244 -0.282 25079 4180 1 20 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.109 1.204 25079 4181 1 20 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.755 0.052 25079 4182 1 20 . 1 1 20 20 LEU H H 20 8.334 8.334 7.451 0.883 25079 4183 1 20 . 1 1 21 21 SER N N 21 114.597 114.597 115.848 -1.251 25079 4184 1 20 . 1 1 21 21 SER HA H 21 4.027 4.027 4.239 -0.212 25079 4185 1 20 . 1 1 21 21 SER CA C 21 63.605 63.605 61.553 2.051 25079 4186 1 20 . 1 1 21 21 SER CB C 21 63.022 63.022 62.998 0.024 25079 4187 1 20 . 1 1 21 21 SER H H 21 8.195 8.195 8.562 -0.367 25079 4188 1 20 . 1 1 22 22 LEU N N 22 120.987 120.987 122.197 -1.210 25079 4189 1 20 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.889 0.107 25079 4190 1 20 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.247 -0.113 25079 4191 1 20 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.899 -0.297 25079 4192 1 20 . 1 1 22 22 LEU H H 22 7.881 7.881 8.042 -0.161 25079 4193 1 20 . 1 1 23 23 ILE N N 23 118.022 118.022 116.603 1.419 25079 4194 1 20 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.655 -0.175 25079 4195 1 20 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.539 1.229 25079 4196 1 20 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.299 -0.036 25079 4197 1 20 . 1 1 23 23 ILE H H 23 7.987 7.987 7.222 0.765 25079 4198 1 20 . 1 1 24 24 LEU N N 24 118.701 118.701 121.270 -2.569 25079 4199 1 20 . 1 1 24 24 LEU HA H 24 3.925 3.925 3.948 -0.023 25079 4200 1 20 . 1 1 24 24 LEU CA C 24 58.586 58.586 57.931 0.655 25079 4201 1 20 . 1 1 24 24 LEU CB C 24 41.621 41.621 40.688 0.933 25079 4202 1 20 . 1 1 24 24 LEU H H 24 8.174 8.174 7.607 0.567 25079 4203 1 20 . 1 1 25 25 VAL N N 25 117.708 117.708 118.226 -0.518 25079 4204 1 20 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.575 0.852 25079 4205 1 20 . 1 1 25 25 VAL CA C 25 67.708 67.708 67.179 0.529 25079 4206 1 20 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.664 -0.125 25079 4207 1 20 . 1 1 25 25 VAL H H 25 8.118 8.118 8.647 -0.529 25079 4208 1 20 . 1 1 26 26 VAL N N 26 118.872 118.872 120.049 -1.177 25079 4209 1 20 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.557 -0.184 25079 4210 1 20 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.574 1.278 25079 4211 1 20 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.669 -0.699 25079 4212 1 20 . 1 1 26 26 VAL H H 26 8.140 8.140 7.231 0.909 25079 4213 1 20 . 1 1 27 27 ILE N N 27 118.715 118.715 119.161 -0.446 25079 4214 1 20 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.669 -0.142 25079 4215 1 20 . 1 1 27 27 ILE CA C 27 65.922 65.922 65.309 0.613 25079 4216 1 20 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.724 -0.397 25079 4217 1 20 . 1 1 27 27 ILE H H 27 8.336 8.336 7.626 0.710 25079 4218 1 20 . 1 1 28 28 LEU N N 28 119.343 119.343 121.101 -1.758 25079 4219 1 20 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.942 0.039 25079 4220 1 20 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.444 0.182 25079 4221 1 20 . 1 1 28 28 LEU CB C 28 41.415 41.415 41.254 0.161 25079 4222 1 20 . 1 1 28 28 LEU H H 28 8.494 8.494 8.266 0.228 25079 4223 1 20 . 1 1 29 29 VAL N N 29 121.451 121.451 118.227 3.224 25079 4224 1 20 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.684 -0.220 25079 4225 1 20 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.029 1.653 25079 4226 1 20 . 1 1 29 29 VAL CB C 29 31.172 31.172 30.941 0.231 25079 4227 1 20 . 1 1 29 29 VAL H H 29 8.696 8.696 8.040 0.656 25079 4228 1 20 . 1 1 30 30 LEU N N 30 119.811 119.811 119.735 0.076 25079 4229 1 20 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.900 0.001 25079 4230 1 20 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.751 1.032 25079 4231 1 20 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.630 -0.115 25079 4232 1 20 . 1 1 30 30 LEU H H 30 8.534 8.534 7.612 0.922 25079 4233 1 20 . 1 1 31 31 LEU N N 31 117.365 117.365 119.446 -2.081 25079 4234 1 20 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.052 -0.106 25079 4235 1 20 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.089 0.354 25079 4236 1 20 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.463 0.339 25079 4237 1 20 . 1 1 31 31 LEU H H 31 8.770 8.770 8.106 0.664 25079 4238 1 20 . 1 1 32 32 THR N N 32 116.494 116.494 113.705 2.789 25079 4239 1 20 . 1 1 32 32 THR HA H 32 4.311 4.311 3.869 0.442 25079 4240 1 20 . 1 1 32 32 THR CA C 32 68.534 68.534 66.492 2.042 25079 4241 1 20 . 1 1 32 32 THR CB C 32 67.727 67.727 68.703 -0.976 25079 4242 1 20 . 1 1 32 32 THR H H 32 8.016 8.016 7.781 0.235 25079 4243 1 20 . 1 1 33 33 VAL N N 33 120.644 120.644 122.917 -2.273 25079 4244 1 20 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.705 -0.206 25079 4245 1 20 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.544 1.060 25079 4246 1 20 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.157 0.311 25079 4247 1 20 . 1 1 33 33 VAL H H 33 8.430 8.430 8.163 0.267 25079 4248 1 20 . 1 1 34 34 LEU N N 34 118.815 118.815 120.487 -1.672 25079 4249 1 20 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.909 0.085 25079 4250 1 20 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.327 0.106 25079 4251 1 20 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.040 0.503 25079 4252 1 20 . 1 1 34 34 LEU H H 34 8.424 8.424 7.657 0.767 25079 4253 1 20 . 1 1 35 35 ALA N N 35 122.308 122.308 122.575 -0.267 25079 4254 1 20 . 1 1 35 35 ALA HA H 35 3.993 3.993 4.008 -0.015 25079 4255 1 20 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.389 0.315 25079 4256 1 20 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.178 0.268 25079 4257 1 20 . 1 1 35 35 ALA H H 35 8.646 8.646 8.258 0.388 25079 4258 1 20 . 1 1 36 36 LEU N N 36 118.240 118.240 119.356 -1.116 25079 4259 1 20 . 1 1 36 36 LEU HA H 36 4.058 4.058 4.084 -0.026 25079 4260 1 20 . 1 1 36 36 LEU CA C 36 58.078 58.078 57.721 0.357 25079 4261 1 20 . 1 1 36 36 LEU CB C 36 42.030 42.030 41.051 0.979 25079 4262 1 20 . 1 1 36 36 LEU H H 36 8.442 8.442 8.096 0.346 25079 4263 1 20 . 1 1 37 37 LEU N N 37 117.383 117.383 119.736 -2.353 25079 4264 1 20 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.878 0.210 25079 4265 1 20 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.467 -0.800 25079 4266 1 20 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.590 0.513 25079 4267 1 20 . 1 1 37 37 LEU H H 37 8.499 8.499 8.244 0.255 25079 4268 1 20 . 1 1 38 38 SER N N 38 113.837 113.837 114.800 -0.963 25079 4269 1 20 . 1 1 38 38 SER HA H 38 4.235 4.235 4.110 0.125 25079 4270 1 20 . 1 1 38 38 SER CA C 38 61.318 61.318 61.773 -0.455 25079 4271 1 20 . 1 1 38 38 SER CB C 38 63.438 63.438 62.849 0.589 25079 4272 1 20 . 1 1 38 38 SER H H 38 8.155 8.155 8.575 -0.420 25079 4273 1 20 . 1 1 39 39 HIS N N 39 119.819 119.819 120.764 -0.945 25079 4274 1 20 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.238 0.539 25079 4275 1 20 . 1 1 39 39 HIS CA C 39 57.311 57.311 60.497 -3.186 25079 4276 1 20 . 1 1 39 39 HIS CB C 39 30.793 30.793 30.047 0.746 25079 4277 1 20 . 1 1 39 39 HIS H H 39 8.017 8.017 8.231 -0.214 25079 4278 1 20 . 1 1 40 40 ARG N N 40 119.165 119.165 118.687 0.478 25079 4279 1 20 . 1 1 40 40 ARG CA C 40 58.769 58.769 60.018 -1.249 25079 4280 1 20 . 1 1 40 40 ARG H H 40 7.785 7.785 8.040 -0.255 25079 4281 1 20 . 1 1 41 41 ARG N N 41 119.761 119.761 119.411 0.350 25079 4282 1 20 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.086 0.030 25079 4283 1 20 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.064 -0.153 25079 4284 1 20 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.961 -0.386 25079 4285 1 20 . 1 1 41 41 ARG H H 41 8.358 8.358 8.160 0.198 25079 4286 1 20 . 1 1 42 42 ALA N N 42 121.554 121.554 122.723 -1.169 25079 4287 1 20 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.002 0.202 25079 4288 1 20 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.169 -0.978 25079 4289 1 20 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.373 0.156 25079 4290 1 20 . 1 1 42 42 ALA H H 42 8.098 8.098 8.515 -0.417 25079 4291 1 20 . 1 1 43 43 LEU N N 43 117.383 117.383 119.506 -2.123 25079 4292 1 20 . 1 1 43 43 LEU HA H 43 4.061 4.061 4.036 0.025 25079 4293 1 20 . 1 1 43 43 LEU CA C 43 57.311 57.311 58.258 -0.947 25079 4294 1 20 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.746 0.739 25079 4295 1 20 . 1 1 43 43 LEU H H 43 7.986 7.986 8.016 -0.030 25079 4296 1 20 . 1 1 44 44 LYS N N 44 118.908 118.908 117.596 1.312 25079 4297 1 20 . 1 1 44 44 LYS HA H 44 4.043 4.043 4.001 0.042 25079 4298 1 20 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.340 0.562 25079 4299 1 20 . 1 1 44 44 LYS CB C 44 32.630 32.630 31.901 0.729 25079 4300 1 20 . 1 1 44 44 LYS H H 44 8.258 8.258 8.219 0.039 25079 4301 1 20 . 1 1 45 45 GLN N N 45 115.858 115.858 120.366 -4.508 25079 4302 1 20 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.375 -0.253 25079 4303 1 20 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.258 -0.865 25079 4304 1 20 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.842 -0.195 25079 4305 1 20 . 1 1 45 45 GLN H H 45 7.764 7.764 8.063 -0.299 25079 4306 1 20 . 1 1 46 46 LYS N N 46 117.155 117.155 117.689 -0.534 25079 4307 1 20 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.151 0.026 25079 4308 1 20 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.792 -1.659 25079 4309 1 20 . 1 1 46 46 LYS CB C 46 33.007 33.007 33.008 -0.001 25079 4310 1 20 . 1 1 46 46 LYS H H 46 7.620 7.620 7.954 -0.334 25079 4311 1 20 . 1 1 47 47 ILE N N 47 116.662 116.662 116.737 -0.075 25079 4312 1 20 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.249 -0.502 25079 4313 1 20 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.218 0.471 25079 4314 1 20 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.910 -3.236 25079 4315 1 20 . 1 1 47 47 ILE H H 47 7.570 7.570 7.741 -0.171 25079 4316 1 20 . 1 1 48 48 TRP N N 48 118.880 118.880 122.231 -3.351 25079 4317 1 20 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.054 -0.058 25079 4318 1 20 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.513 1.080 25079 4319 1 20 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.282 -2.489 25079 4320 1 20 . 1 1 48 48 TRP H H 48 8.001 8.001 8.295 -0.294 25079 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 42 2.126 0.458 2.101 25079 2 1 1 "Average Difference" HA 42 0.230 -0.024 0.231 25079 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25079 4 1 1 "Average Difference" CA 45 1.159 -0.154 1.162 25079 5 1 1 "Average Difference" CB 45 0.983 -0.107 0.989 25079 6 1 1 "Average Difference" HN 42 0.456 -0.252 0.385 25079 7 1 2 "Average Difference" N 42 2.061 0.538 2.014 25079 8 1 2 "Average Difference" HA 42 0.226 -0.019 0.228 25079 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25079 10 1 2 "Average Difference" CA 45 1.032 -0.286 1.003 25079 11 1 2 "Average Difference" CB 45 0.818 -0.045 0.826 25079 12 1 2 "Average Difference" HN 42 0.447 -0.178 0.415 25079 13 1 3 "Average Difference" N 42 2.285 0.467 2.264 25079 14 1 3 "Average Difference" HA 42 0.243 -0.031 0.244 25079 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25079 16 1 3 "Average Difference" CA 45 1.226 -0.088 1.237 25079 17 1 3 "Average Difference" CB 45 0.918 -0.172 0.912 25079 18 1 3 "Average Difference" HN 42 0.470 -0.121 0.459 25079 19 1 4 "Average Difference" N 42 1.930 1.027 1.654 25079 20 1 4 "Average Difference" HA 42 0.221 -0.003 0.223 25079 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25079 22 1 4 "Average Difference" CA 45 1.056 -0.124 1.061 25079 23 1 4 "Average Difference" CB 45 0.860 -0.043 0.869 25079 24 1 4 "Average Difference" HN 42 0.511 -0.217 0.468 25079 25 1 5 "Average Difference" N 42 2.160 0.706 2.066 25079 26 1 5 "Average Difference" HA 42 0.228 0.000 0.230 25079 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25079 28 1 5 "Average Difference" CA 45 1.032 -0.261 1.009 25079 29 1 5 "Average Difference" CB 45 0.855 -0.034 0.864 25079 30 1 5 "Average Difference" HN 42 0.461 -0.219 0.411 25079 31 1 6 "Average Difference" N 42 2.285 0.537 2.248 25079 32 1 6 "Average Difference" HA 42 0.227 -0.011 0.229 25079 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25079 34 1 6 "Average Difference" CA 45 1.108 -0.214 1.099 25079 35 1 6 "Average Difference" CB 45 0.917 -0.115 0.921 25079 36 1 6 "Average Difference" HN 42 0.502 -0.233 0.450 25079 37 1 7 "Average Difference" N 42 2.146 0.785 2.021 25079 38 1 7 "Average Difference" HA 42 0.221 0.030 0.222 25079 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25079 40 1 7 "Average Difference" CA 45 1.004 -0.289 0.973 25079 41 1 7 "Average Difference" CB 45 1.059 -0.063 1.069 25079 42 1 7 "Average Difference" HN 42 0.442 -0.215 0.391 25079 43 1 8 "Average Difference" N 42 2.257 0.363 2.255 25079 44 1 8 "Average Difference" HA 42 0.224 -0.018 0.226 25079 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25079 46 1 8 "Average Difference" CA 45 1.211 -0.106 1.220 25079 47 1 8 "Average Difference" CB 45 0.957 -0.151 0.956 25079 48 1 8 "Average Difference" HN 42 0.501 -0.221 0.455 25079 49 1 9 "Average Difference" N 42 2.537 0.386 2.537 25079 50 1 9 "Average Difference" HA 42 0.233 -0.007 0.236 25079 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25079 52 1 9 "Average Difference" CA 45 1.146 -0.328 1.110 25079 53 1 9 "Average Difference" CB 45 0.957 -0.157 0.954 25079 54 1 9 "Average Difference" HN 42 0.454 -0.224 0.399 25079 55 1 10 "Average Difference" N 42 2.063 0.906 1.876 25079 56 1 10 "Average Difference" HA 42 0.225 0.004 0.228 25079 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25079 58 1 10 "Average Difference" CA 45 1.107 -0.188 1.103 25079 59 1 10 "Average Difference" CB 45 0.898 -0.020 0.908 25079 60 1 10 "Average Difference" HN 42 0.499 -0.242 0.442 25079 61 1 11 "Average Difference" N 42 1.765 0.613 1.675 25079 62 1 11 "Average Difference" HA 42 0.228 0.001 0.231 25079 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25079 64 1 11 "Average Difference" CA 45 1.003 -0.287 0.972 25079 65 1 11 "Average Difference" CB 45 0.843 -0.005 0.852 25079 66 1 11 "Average Difference" HN 42 0.440 -0.195 0.400 25079 67 1 12 "Average Difference" N 42 2.183 0.532 2.143 25079 68 1 12 "Average Difference" HA 42 0.221 -0.010 0.223 25079 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25079 70 1 12 "Average Difference" CA 45 1.242 -0.033 1.256 25079 71 1 12 "Average Difference" CB 45 0.892 -0.095 0.897 25079 72 1 12 "Average Difference" HN 42 0.483 -0.235 0.428 25079 73 1 13 "Average Difference" N 42 1.834 0.728 1.704 25079 74 1 13 "Average Difference" HA 42 0.207 -0.017 0.209 25079 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25079 76 1 13 "Average Difference" CA 45 1.003 -0.208 0.993 25079 77 1 13 "Average Difference" CB 45 0.967 -0.000 0.978 25079 78 1 13 "Average Difference" HN 42 0.463 -0.219 0.413 25079 79 1 14 "Average Difference" N 42 1.949 0.422 1.926 25079 80 1 14 "Average Difference" HA 42 0.227 0.004 0.230 25079 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25079 82 1 14 "Average Difference" CA 45 1.101 -0.407 1.034 25079 83 1 14 "Average Difference" CB 45 0.797 0.057 0.804 25079 84 1 14 "Average Difference" HN 42 0.485 -0.227 0.433 25079 85 1 15 "Average Difference" N 42 2.168 0.885 2.004 25079 86 1 15 "Average Difference" HA 42 0.215 -0.005 0.217 25079 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25079 88 1 15 "Average Difference" CA 45 0.949 -0.210 0.936 25079 89 1 15 "Average Difference" CB 45 0.978 -0.088 0.985 25079 90 1 15 "Average Difference" HN 42 0.487 -0.238 0.430 25079 91 1 16 "Average Difference" N 42 2.026 0.620 1.952 25079 92 1 16 "Average Difference" HA 42 0.214 -0.026 0.215 25079 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25079 94 1 16 "Average Difference" CA 45 0.992 -0.282 0.962 25079 95 1 16 "Average Difference" CB 45 0.983 -0.106 0.988 25079 96 1 16 "Average Difference" HN 42 0.452 -0.165 0.425 25079 97 1 17 "Average Difference" N 42 2.217 0.592 2.162 25079 98 1 17 "Average Difference" HA 42 0.233 -0.003 0.236 25079 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25079 100 1 17 "Average Difference" CA 45 1.190 -0.247 1.177 25079 101 1 17 "Average Difference" CB 45 0.915 -0.121 0.918 25079 102 1 17 "Average Difference" HN 42 0.507 -0.225 0.460 25079 103 1 18 "Average Difference" N 42 2.272 0.772 2.163 25079 104 1 18 "Average Difference" HA 42 0.227 -0.016 0.229 25079 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25079 106 1 18 "Average Difference" CA 45 1.179 -0.198 1.175 25079 107 1 18 "Average Difference" CB 45 0.879 -0.182 0.870 25079 108 1 18 "Average Difference" HN 42 0.492 -0.216 0.447 25079 109 1 19 "Average Difference" N 42 2.145 0.519 2.106 25079 110 1 19 "Average Difference" HA 42 0.231 -0.006 0.234 25079 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25079 112 1 19 "Average Difference" CA 45 1.001 -0.366 0.942 25079 113 1 19 "Average Difference" CB 45 1.007 -0.038 1.017 25079 114 1 19 "Average Difference" HN 42 0.490 -0.267 0.416 25079 115 1 20 "Average Difference" N 42 2.351 0.332 2.356 25079 116 1 20 "Average Difference" HA 42 0.239 -0.036 0.240 25079 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25079 118 1 20 "Average Difference" CA 45 1.166 -0.174 1.166 25079 119 1 20 "Average Difference" CB 45 0.964 -0.163 0.960 25079 120 1 20 "Average Difference" HN 42 0.484 -0.165 0.461 25079 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 25079 _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 SER CB C 2 63.463 63.463 63.862 -0.399 25079 2 1 . 1 1 4 4 PRO HA H 4 4.442 4.442 4.409 0.033 25079 3 1 . 1 1 4 4 PRO CA C 4 63.352 63.352 63.334 0.018 25079 4 1 . 1 1 4 4 PRO CB C 4 31.915 31.915 31.774 0.140 25079 5 1 . 1 1 5 5 VAL N N 5 119.530 119.530 120.112 -0.582 25079 6 1 . 1 1 5 5 VAL HA H 5 4.065 4.065 4.107 -0.042 25079 7 1 . 1 1 5 5 VAL CA C 5 62.546 62.546 62.802 -0.256 25079 8 1 . 1 1 5 5 VAL CB C 5 32.452 32.452 32.049 0.403 25079 9 1 . 1 1 5 5 VAL H H 5 8.193 8.193 7.981 0.212 25079 10 1 . 1 1 6 6 SER N N 6 118.536 118.536 116.250 2.286 25079 11 1 . 1 1 6 6 SER HA H 6 4.474 4.474 4.245 0.229 25079 12 1 . 1 1 6 6 SER CA C 6 58.259 58.259 59.449 -1.190 25079 13 1 . 1 1 6 6 SER CB C 6 64.180 64.180 62.697 1.483 25079 14 1 . 1 1 6 6 SER H H 6 8.246 8.246 8.245 0.001 25079 15 1 . 1 1 7 7 LEU N N 7 124.072 124.072 121.486 2.586 25079 16 1 . 1 1 7 7 LEU HA H 7 4.268 4.268 4.281 -0.013 25079 17 1 . 1 1 7 7 LEU CA C 7 55.879 55.879 55.665 0.214 25079 18 1 . 1 1 7 7 LEU CB C 7 42.888 42.888 42.819 0.069 25079 19 1 . 1 1 7 7 LEU H H 7 8.428 8.428 7.683 0.745 25079 20 1 . 1 1 8 8 LEU N N 8 118.780 118.780 119.989 -1.209 25079 21 1 . 1 1 8 8 LEU HA H 8 4.384 4.384 4.425 -0.041 25079 22 1 . 1 1 8 8 LEU CA C 8 54.808 54.808 54.929 -0.121 25079 23 1 . 1 1 8 8 LEU CB C 8 42.968 42.968 42.471 0.496 25079 24 1 . 1 1 8 8 LEU H H 8 7.911 7.911 7.994 -0.083 25079 25 1 . 1 1 9 9 THR N N 9 114.528 114.528 114.470 0.058 25079 26 1 . 1 1 9 9 THR CA C 9 59.552 59.552 59.764 -0.212 25079 27 1 . 1 1 9 9 THR CB C 9 69.588 69.588 69.449 0.139 25079 28 1 . 1 1 9 9 THR H H 9 8.030 8.030 8.034 -0.004 25079 29 1 . 1 1 10 10 PRO HA H 10 4.369 4.369 4.358 0.011 25079 30 1 . 1 1 10 10 PRO CA C 10 64.206 64.206 64.771 -0.565 25079 31 1 . 1 1 10 10 PRO CB C 10 31.927 31.927 31.821 0.106 25079 32 1 . 1 1 11 11 SER N N 11 113.430 113.430 112.782 0.648 25079 33 1 . 1 1 11 11 SER HA H 11 4.293 4.293 4.294 -0.001 25079 34 1 . 1 1 11 11 SER CA C 11 59.677 59.677 59.960 -0.283 25079 35 1 . 1 1 11 11 SER CB C 11 63.851 63.851 62.846 1.005 25079 36 1 . 1 1 11 11 SER H H 11 8.217 8.217 8.173 0.044 25079 37 1 . 1 1 12 12 ASP N N 12 120.212 120.212 120.431 -0.219 25079 38 1 . 1 1 12 12 ASP HA H 12 4.626 4.626 4.812 -0.186 25079 39 1 . 1 1 12 12 ASP CA C 12 54.709 54.709 53.398 1.311 25079 40 1 . 1 1 12 12 ASP CB C 12 41.453 41.453 41.998 -0.545 25079 41 1 . 1 1 12 12 ASP H H 12 8.122 8.122 7.668 0.454 25079 42 1 . 1 1 13 13 LEU N N 13 120.144 120.144 123.309 -3.165 25079 43 1 . 1 1 13 13 LEU HA H 13 4.336 4.336 4.212 0.124 25079 44 1 . 1 1 13 13 LEU CA C 13 54.588 54.588 55.701 -1.113 25079 45 1 . 1 1 13 13 LEU CB C 13 43.298 43.298 40.787 2.511 25079 46 1 . 1 1 13 13 LEU H H 13 7.719 7.719 7.624 0.095 25079 47 1 . 1 1 14 14 ASP N N 14 123.659 123.659 126.175 -2.516 25079 48 1 . 1 1 14 14 ASP CA C 14 53.538 53.538 51.889 1.649 25079 49 1 . 1 1 14 14 ASP CB C 14 43.171 43.171 42.175 0.996 25079 50 1 . 1 1 14 14 ASP H H 14 8.289 8.289 8.531 -0.242 25079 51 1 . 1 1 15 15 PRO HA H 15 4.252 4.252 4.325 -0.073 25079 52 1 . 1 1 15 15 PRO CA C 15 65.531 65.531 64.830 0.701 25079 53 1 . 1 1 15 15 PRO CB C 15 32.324 32.324 32.009 0.315 25079 54 1 . 1 1 16 16 LEU N N 16 120.965 120.965 118.288 2.677 25079 55 1 . 1 1 16 16 LEU HA H 16 4.175 4.175 4.062 0.113 25079 56 1 . 1 1 16 16 LEU CA C 16 58.452 58.452 57.750 0.702 25079 57 1 . 1 1 16 16 LEU CB C 16 41.335 41.335 41.349 -0.014 25079 58 1 . 1 1 16 16 LEU H H 16 8.639 8.639 7.880 0.759 25079 59 1 . 1 1 17 17 ILE N N 17 118.865 118.865 117.947 0.918 25079 60 1 . 1 1 17 17 ILE HA H 17 3.706 3.706 3.763 -0.057 25079 61 1 . 1 1 17 17 ILE CA C 17 64.333 64.333 64.039 0.294 25079 62 1 . 1 1 17 17 ILE CB C 17 36.708 36.708 37.159 -0.451 25079 63 1 . 1 1 17 17 ILE H H 17 7.831 7.831 7.852 -0.021 25079 64 1 . 1 1 18 18 LEU N N 18 121.654 121.654 120.780 0.874 25079 65 1 . 1 1 18 18 LEU HA H 18 4.003 4.003 3.977 0.026 25079 66 1 . 1 1 18 18 LEU CA C 18 58.669 58.669 58.569 0.100 25079 67 1 . 1 1 18 18 LEU CB C 18 41.728 41.728 41.683 0.045 25079 68 1 . 1 1 18 18 LEU H H 18 8.229 8.229 7.943 0.286 25079 69 1 . 1 1 19 19 THR N N 19 115.361 115.361 115.617 -0.256 25079 70 1 . 1 1 19 19 THR HA H 19 4.252 4.252 4.030 0.223 25079 71 1 . 1 1 19 19 THR CA C 19 68.380 68.380 66.694 1.687 25079 72 1 . 1 1 19 19 THR CB C 19 67.094 67.094 68.536 -1.442 25079 73 1 . 1 1 19 19 THR H H 19 7.951 7.951 7.851 0.100 25079 74 1 . 1 1 20 20 LEU N N 20 119.190 119.190 121.722 -2.532 25079 75 1 . 1 1 20 20 LEU HA H 20 3.962 3.962 4.173 -0.211 25079 76 1 . 1 1 20 20 LEU CA C 20 58.313 58.313 57.398 0.915 25079 77 1 . 1 1 20 20 LEU CB C 20 41.808 41.808 41.737 0.071 25079 78 1 . 1 1 20 20 LEU H H 20 8.334 8.334 7.595 0.739 25079 79 1 . 1 1 21 21 SER N N 21 114.597 114.597 115.605 -1.008 25079 80 1 . 1 1 21 21 SER HA H 21 4.027 4.027 4.203 -0.176 25079 81 1 . 1 1 21 21 SER CA C 21 63.605 63.605 61.718 1.887 25079 82 1 . 1 1 21 21 SER CB C 21 63.022 63.022 63.116 -0.093 25079 83 1 . 1 1 21 21 SER H H 21 8.195 8.195 8.414 -0.219 25079 84 1 . 1 1 22 22 LEU N N 22 120.987 120.987 122.704 -1.717 25079 85 1 . 1 1 22 22 LEU HA H 22 3.996 3.996 3.982 0.014 25079 86 1 . 1 1 22 22 LEU CA C 22 58.134 58.134 58.202 -0.068 25079 87 1 . 1 1 22 22 LEU CB C 22 41.602 41.602 41.801 -0.199 25079 88 1 . 1 1 22 22 LEU H H 22 7.881 7.881 7.939 -0.058 25079 89 1 . 1 1 23 23 ILE N N 23 118.022 118.022 116.012 2.010 25079 90 1 . 1 1 23 23 ILE HA H 23 3.480 3.480 3.718 -0.238 25079 91 1 . 1 1 23 23 ILE CA C 23 65.768 65.768 64.539 1.229 25079 92 1 . 1 1 23 23 ILE CB C 23 37.263 37.263 37.411 -0.148 25079 93 1 . 1 1 23 23 ILE H H 23 7.987 7.987 7.430 0.557 25079 94 1 . 1 1 24 24 LEU N N 24 118.701 118.701 121.901 -3.200 25079 95 1 . 1 1 24 24 LEU HA H 24 3.925 3.925 4.072 -0.147 25079 96 1 . 1 1 24 24 LEU CA C 24 58.586 58.586 58.078 0.508 25079 97 1 . 1 1 24 24 LEU CB C 24 41.621 41.621 41.102 0.519 25079 98 1 . 1 1 24 24 LEU H H 24 8.174 8.174 7.698 0.476 25079 99 1 . 1 1 25 25 VAL N N 25 117.708 117.708 119.062 -1.354 25079 100 1 . 1 1 25 25 VAL HA H 25 4.427 4.427 3.676 0.751 25079 101 1 . 1 1 25 25 VAL CA C 25 67.708 67.708 66.590 1.118 25079 102 1 . 1 1 25 25 VAL CB C 25 31.539 31.539 31.212 0.327 25079 103 1 . 1 1 25 25 VAL H H 25 8.118 8.118 8.514 -0.396 25079 104 1 . 1 1 26 26 VAL N N 26 118.872 118.872 120.645 -1.773 25079 105 1 . 1 1 26 26 VAL HA H 26 3.373 3.373 3.642 -0.269 25079 106 1 . 1 1 26 26 VAL CA C 26 67.852 67.852 66.849 1.003 25079 107 1 . 1 1 26 26 VAL CB C 26 30.970 30.970 31.432 -0.462 25079 108 1 . 1 1 26 26 VAL H H 26 8.140 8.140 7.658 0.482 25079 109 1 . 1 1 27 27 ILE N N 27 118.715 118.715 118.119 0.595 25079 110 1 . 1 1 27 27 ILE HA H 27 3.527 3.527 3.738 -0.211 25079 111 1 . 1 1 27 27 ILE CA C 27 65.922 65.922 64.791 1.131 25079 112 1 . 1 1 27 27 ILE CB C 27 37.327 37.327 37.382 -0.055 25079 113 1 . 1 1 27 27 ILE H H 27 8.336 8.336 7.784 0.552 25079 114 1 . 1 1 28 28 LEU N N 28 119.343 119.343 121.664 -2.321 25079 115 1 . 1 1 28 28 LEU HA H 28 3.981 3.981 3.971 0.010 25079 116 1 . 1 1 28 28 LEU CA C 28 58.626 58.626 58.223 0.403 25079 117 1 . 1 1 28 28 LEU CB C 28 41.415 41.415 40.807 0.608 25079 118 1 . 1 1 28 28 LEU H H 28 8.494 8.494 7.824 0.670 25079 119 1 . 1 1 29 29 VAL N N 29 121.451 121.451 118.293 3.159 25079 120 1 . 1 1 29 29 VAL HA H 29 3.464 3.464 3.656 -0.192 25079 121 1 . 1 1 29 29 VAL CA C 29 67.682 67.682 66.599 1.083 25079 122 1 . 1 1 29 29 VAL CB C 29 31.172 31.172 31.299 -0.127 25079 123 1 . 1 1 29 29 VAL H H 29 8.696 8.696 7.823 0.873 25079 124 1 . 1 1 30 30 LEU N N 30 119.811 119.811 120.289 -0.478 25079 125 1 . 1 1 30 30 LEU HA H 30 3.901 3.901 3.949 -0.048 25079 126 1 . 1 1 30 30 LEU CA C 30 58.783 58.783 57.793 0.990 25079 127 1 . 1 1 30 30 LEU CB C 30 41.515 41.515 41.695 -0.180 25079 128 1 . 1 1 30 30 LEU H H 30 8.534 8.534 7.708 0.826 25079 129 1 . 1 1 31 31 LEU N N 31 117.365 117.365 119.355 -1.990 25079 130 1 . 1 1 31 31 LEU HA H 31 3.946 3.946 4.009 -0.063 25079 131 1 . 1 1 31 31 LEU CA C 31 58.443 58.443 58.288 0.155 25079 132 1 . 1 1 31 31 LEU CB C 31 41.802 41.802 41.121 0.681 25079 133 1 . 1 1 31 31 LEU H H 31 8.770 8.770 8.218 0.552 25079 134 1 . 1 1 32 32 THR N N 32 116.494 116.494 113.748 2.746 25079 135 1 . 1 1 32 32 THR HA H 32 4.311 4.311 3.920 0.391 25079 136 1 . 1 1 32 32 THR CA C 32 68.534 68.534 66.325 2.209 25079 137 1 . 1 1 32 32 THR CB C 32 67.727 67.727 68.496 -0.769 25079 138 1 . 1 1 32 32 THR H H 32 8.016 8.016 7.769 0.247 25079 139 1 . 1 1 33 33 VAL N N 33 120.644 120.644 122.435 -1.791 25079 140 1 . 1 1 33 33 VAL HA H 33 3.499 3.499 3.666 -0.167 25079 141 1 . 1 1 33 33 VAL CA C 33 67.605 67.605 66.688 0.917 25079 142 1 . 1 1 33 33 VAL CB C 33 31.468 31.468 31.345 0.123 25079 143 1 . 1 1 33 33 VAL H H 33 8.430 8.430 7.881 0.549 25079 144 1 . 1 1 34 34 LEU N N 34 118.815 118.815 120.349 -1.534 25079 145 1 . 1 1 34 34 LEU HA H 34 3.994 3.994 3.942 0.052 25079 146 1 . 1 1 34 34 LEU CA C 34 58.433 58.433 58.151 0.282 25079 147 1 . 1 1 34 34 LEU CB C 34 41.543 41.543 41.203 0.340 25079 148 1 . 1 1 34 34 LEU H H 34 8.424 8.424 7.612 0.812 25079 149 1 . 1 1 35 35 ALA N N 35 122.308 122.308 122.511 -0.203 25079 150 1 . 1 1 35 35 ALA HA H 35 3.993 3.993 3.994 -0.001 25079 151 1 . 1 1 35 35 ALA CA C 35 55.704 55.704 55.199 0.505 25079 152 1 . 1 1 35 35 ALA CB C 35 18.446 18.446 18.164 0.282 25079 153 1 . 1 1 35 35 ALA H H 35 8.646 8.646 8.062 0.584 25079 154 1 . 1 1 36 36 LEU N N 36 118.240 118.240 119.949 -1.709 25079 155 1 . 1 1 36 36 LEU HA H 36 4.058 4.058 3.993 0.065 25079 156 1 . 1 1 36 36 LEU CA C 36 58.078 58.078 58.001 0.077 25079 157 1 . 1 1 36 36 LEU CB C 36 42.030 42.030 41.851 0.179 25079 158 1 . 1 1 36 36 LEU H H 36 8.442 8.442 8.199 0.243 25079 159 1 . 1 1 37 37 LEU N N 37 117.383 117.383 119.310 -1.927 25079 160 1 . 1 1 37 37 LEU HA H 37 4.088 4.088 3.885 0.203 25079 161 1 . 1 1 37 37 LEU CA C 37 57.666 57.666 58.468 -0.802 25079 162 1 . 1 1 37 37 LEU CB C 37 42.103 42.103 41.505 0.598 25079 163 1 . 1 1 37 37 LEU H H 37 8.499 8.499 8.164 0.335 25079 164 1 . 1 1 38 38 SER N N 38 113.837 113.837 114.990 -1.153 25079 165 1 . 1 1 38 38 SER HA H 38 4.235 4.235 4.063 0.172 25079 166 1 . 1 1 38 38 SER CA C 38 61.318 61.318 61.997 -0.679 25079 167 1 . 1 1 38 38 SER CB C 38 63.438 63.438 62.925 0.513 25079 168 1 . 1 1 38 38 SER H H 38 8.155 8.155 8.440 -0.285 25079 169 1 . 1 1 39 39 HIS N N 39 119.819 119.819 121.643 -1.824 25079 170 1 . 1 1 39 39 HIS HA H 39 4.777 4.777 4.335 0.442 25079 171 1 . 1 1 39 39 HIS CA C 39 57.311 57.311 59.823 -2.512 25079 172 1 . 1 1 39 39 HIS CB C 39 30.793 30.793 29.905 0.888 25079 173 1 . 1 1 39 39 HIS H H 39 8.017 8.017 8.245 -0.228 25079 174 1 . 1 1 40 40 ARG N N 40 119.165 119.165 119.521 -0.356 25079 175 1 . 1 1 40 40 ARG CA C 40 58.769 58.769 59.731 -0.962 25079 176 1 . 1 1 40 40 ARG H H 40 7.785 7.785 8.430 -0.645 25079 177 1 . 1 1 41 41 ARG N N 41 119.761 119.761 119.591 0.170 25079 178 1 . 1 1 41 41 ARG HA H 41 4.116 4.116 4.083 0.033 25079 179 1 . 1 1 41 41 ARG CA C 41 58.911 58.911 59.107 -0.196 25079 180 1 . 1 1 41 41 ARG CB C 41 29.575 29.575 29.989 -0.414 25079 181 1 . 1 1 41 41 ARG H H 41 8.358 8.358 8.109 0.249 25079 182 1 . 1 1 42 42 ALA N N 42 121.554 121.554 122.294 -0.740 25079 183 1 . 1 1 42 42 ALA HA H 42 4.204 4.204 4.032 0.172 25079 184 1 . 1 1 42 42 ALA CA C 42 54.191 54.191 55.059 -0.868 25079 185 1 . 1 1 42 42 ALA CB C 42 18.529 18.529 18.211 0.318 25079 186 1 . 1 1 42 42 ALA H H 42 8.098 8.098 8.090 0.008 25079 187 1 . 1 1 43 43 LEU N N 43 117.383 117.383 119.144 -1.761 25079 188 1 . 1 1 43 43 LEU HA H 43 4.061 4.061 3.974 0.087 25079 189 1 . 1 1 43 43 LEU CA C 43 57.311 57.311 57.822 -0.511 25079 190 1 . 1 1 43 43 LEU CB C 43 42.485 42.485 41.810 0.675 25079 191 1 . 1 1 43 43 LEU H H 43 7.986 7.986 7.956 0.030 25079 192 1 . 1 1 44 44 LYS N N 44 118.908 118.908 118.596 0.312 25079 193 1 . 1 1 44 44 LYS HA H 44 4.043 4.043 3.943 0.100 25079 194 1 . 1 1 44 44 LYS CA C 44 59.902 59.902 59.575 0.327 25079 195 1 . 1 1 44 44 LYS CB C 44 32.630 32.630 32.204 0.426 25079 196 1 . 1 1 44 44 LYS H H 44 8.258 8.258 7.993 0.265 25079 197 1 . 1 1 45 45 GLN N N 45 115.858 115.858 119.226 -3.368 25079 198 1 . 1 1 45 45 GLN HA H 45 4.122 4.122 4.340 -0.218 25079 199 1 . 1 1 45 45 GLN CA C 45 57.393 57.393 58.300 -0.907 25079 200 1 . 1 1 45 45 GLN CB C 45 28.647 28.647 28.931 -0.284 25079 201 1 . 1 1 45 45 GLN H H 45 7.764 7.764 7.865 -0.101 25079 202 1 . 1 1 46 46 LYS N N 46 117.155 117.155 117.742 -0.587 25079 203 1 . 1 1 46 46 LYS HA H 46 4.177 4.177 4.130 0.047 25079 204 1 . 1 1 46 46 LYS CA C 46 57.133 57.133 58.812 -1.679 25079 205 1 . 1 1 46 46 LYS CB C 46 33.007 33.007 32.855 0.152 25079 206 1 . 1 1 46 46 LYS H H 46 7.620 7.620 7.845 -0.225 25079 207 1 . 1 1 47 47 ILE N N 47 116.662 116.662 116.616 0.046 25079 208 1 . 1 1 47 47 ILE HA H 47 3.747 3.747 4.226 -0.479 25079 209 1 . 1 1 47 47 ILE CA C 47 62.689 62.689 62.192 0.497 25079 210 1 . 1 1 47 47 ILE CB C 47 38.674 38.674 41.574 -2.900 25079 211 1 . 1 1 47 47 ILE H H 47 7.570 7.570 7.656 -0.086 25079 212 1 . 1 1 48 48 TRP N N 48 118.880 118.880 122.289 -3.409 25079 213 1 . 1 1 48 48 TRP HA H 48 4.996 4.996 5.055 -0.060 25079 214 1 . 1 1 48 48 TRP CA C 48 55.593 55.593 54.570 1.023 25079 215 1 . 1 1 48 48 TRP CB C 48 28.793 28.793 31.015 -2.222 25079 216 1 . 1 1 48 48 TRP H H 48 8.001 8.001 8.179 -0.178 25079 stop_ save_