data_17958 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 17958 _Entry.PDB_ID 2LJT 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 17958 _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 TYR N N 2 121.377 121.377 121.969 -0.592 17958 2 1 1 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.577 0.008 17958 3 1 1 . 1 1 2 2 TYR C C 2 174.972 174.972 175.862 -0.890 17958 4 1 1 . 1 1 2 2 TYR CA C 2 58.119 58.119 56.833 1.286 17958 5 1 1 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.386 1.579 17958 6 1 1 . 1 1 2 2 TYR H H 2 8.202 8.202 8.481 -0.279 17958 7 1 1 . 1 1 3 3 TYR N N 3 122.159 122.159 124.813 -2.654 17958 8 1 1 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.480 0.042 17958 9 1 1 . 1 1 3 3 TYR C C 3 175.832 175.832 175.386 0.446 17958 10 1 1 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.568 0.537 17958 11 1 1 . 1 1 3 3 TYR CB C 3 38.683 38.683 36.261 2.422 17958 12 1 1 . 1 1 3 3 TYR H H 3 7.680 7.680 8.161 -0.481 17958 13 1 1 . 1 1 4 4 GLY N N 4 106.493 106.493 108.501 -2.008 17958 14 1 1 . 1 1 4 4 GLY C C 4 173.959 173.959 173.855 0.104 17958 15 1 1 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.400 1.333 17958 16 1 1 . 1 1 4 4 GLY H H 4 6.940 6.940 7.537 -0.597 17958 17 1 1 . 1 1 5 5 ASN N N 5 117.075 117.075 118.935 -1.860 17958 18 1 1 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.647 0.077 17958 19 1 1 . 1 1 5 5 ASN C C 5 176.312 176.312 176.426 -0.114 17958 20 1 1 . 1 1 5 5 ASN CA C 5 54.293 54.293 54.775 -0.482 17958 21 1 1 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.730 -0.381 17958 22 1 1 . 1 1 5 5 ASN H H 5 7.973 7.973 8.751 -0.778 17958 23 1 1 . 1 1 6 6 GLY N N 6 107.279 107.279 106.470 0.809 17958 24 1 1 . 1 1 6 6 GLY C C 6 175.528 175.528 175.604 -0.076 17958 25 1 1 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.841 1.682 17958 26 1 1 . 1 1 6 6 GLY H H 6 8.279 8.279 8.174 0.105 17958 27 1 1 . 1 1 7 7 VAL N N 7 121.566 121.566 118.559 3.007 17958 28 1 1 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.963 -0.121 17958 29 1 1 . 1 1 7 7 VAL C C 7 177.059 177.059 176.345 0.714 17958 30 1 1 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.588 1.006 17958 31 1 1 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.842 0.181 17958 32 1 1 . 1 1 7 7 VAL H H 7 7.835 7.835 8.056 -0.221 17958 33 1 1 . 1 1 8 8 HIS N N 8 117.806 117.806 119.968 -2.162 17958 34 1 1 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.521 0.005 17958 35 1 1 . 1 1 8 8 HIS C C 8 176.479 176.479 177.732 -1.253 17958 36 1 1 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.907 -0.955 17958 37 1 1 . 1 1 8 8 HIS CB C 8 28.351 28.351 30.075 -1.724 17958 38 1 1 . 1 1 8 8 HIS H H 8 8.093 8.093 8.524 -0.431 17958 39 1 1 . 1 1 9 9 LEU N N 9 120.856 120.856 119.825 1.031 17958 40 1 1 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.250 -0.016 17958 41 1 1 . 1 1 9 9 LEU C C 9 178.449 178.449 178.121 0.328 17958 42 1 1 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.243 0.538 17958 43 1 1 . 1 1 9 9 LEU CB C 9 42.254 42.254 42.116 0.138 17958 44 1 1 . 1 1 9 9 LEU H H 9 8.255 8.255 8.245 0.010 17958 45 1 1 . 1 1 10 10 THR N N 10 113.948 113.948 116.682 -2.734 17958 46 1 1 . 1 1 10 10 THR HA H 10 4.194 4.194 3.995 0.199 17958 47 1 1 . 1 1 10 10 THR C C 10 175.671 175.671 176.564 -0.893 17958 48 1 1 . 1 1 10 10 THR CA C 10 65.157 65.157 67.019 -1.862 17958 49 1 1 . 1 1 10 10 THR CB C 10 69.850 69.850 68.620 1.230 17958 50 1 1 . 1 1 10 10 THR H H 10 8.008 8.008 7.642 0.366 17958 51 1 1 . 1 1 11 11 LYS N N 11 120.215 120.215 120.515 -0.300 17958 52 1 1 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.041 0.141 17958 53 1 1 . 1 1 11 11 LYS C C 11 178.448 178.448 178.644 -0.196 17958 54 1 1 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.546 0.558 17958 55 1 1 . 1 1 11 11 LYS CB C 11 32.165 32.165 31.952 0.213 17958 56 1 1 . 1 1 11 11 LYS H H 11 8.312 8.312 7.583 0.729 17958 57 1 1 . 1 1 12 12 SER N N 12 114.597 114.597 114.338 0.259 17958 58 1 1 . 1 1 12 12 SER HA H 12 4.318 4.318 4.227 0.091 17958 59 1 1 . 1 1 12 12 SER C C 12 175.635 175.635 175.422 0.213 17958 60 1 1 . 1 1 12 12 SER CA C 12 61.156 61.156 60.264 0.892 17958 61 1 1 . 1 1 12 12 SER CB C 12 63.074 63.074 64.202 -1.128 17958 62 1 1 . 1 1 12 12 SER H H 12 8.068 8.068 7.766 0.302 17958 63 1 1 . 1 1 13 13 GLY N N 13 109.563 109.563 107.936 1.627 17958 64 1 1 . 1 1 13 13 GLY C C 13 175.776 175.776 173.777 1.999 17958 65 1 1 . 1 1 13 13 GLY CA C 13 46.571 46.571 45.354 1.217 17958 66 1 1 . 1 1 13 13 GLY H H 13 8.216 8.216 7.780 0.436 17958 67 1 1 . 1 1 14 14 LEU N N 14 121.346 121.346 120.551 0.795 17958 68 1 1 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.314 -0.002 17958 69 1 1 . 1 1 14 14 LEU C C 14 178.624 178.624 177.710 0.914 17958 70 1 1 . 1 1 14 14 LEU CA C 14 57.484 57.484 58.236 -0.752 17958 71 1 1 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.574 0.487 17958 72 1 1 . 1 1 14 14 LEU H H 14 8.173 8.173 7.821 0.352 17958 73 1 1 . 1 1 15 15 SER N N 15 113.795 113.795 116.141 -2.346 17958 74 1 1 . 1 1 15 15 SER HA H 15 4.385 4.385 4.192 0.193 17958 75 1 1 . 1 1 15 15 SER C C 15 175.964 175.964 176.653 -0.689 17958 76 1 1 . 1 1 15 15 SER CA C 15 61.201 61.201 61.854 -0.653 17958 77 1 1 . 1 1 15 15 SER CB C 15 63.397 63.397 62.297 1.101 17958 78 1 1 . 1 1 15 15 SER H H 15 7.945 7.945 8.392 -0.447 17958 79 1 1 . 1 1 16 16 VAL N N 16 121.965 121.965 121.408 0.557 17958 80 1 1 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.843 0.149 17958 81 1 1 . 1 1 16 16 VAL C C 16 177.176 177.176 177.039 0.137 17958 82 1 1 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.336 1.083 17958 83 1 1 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.609 0.405 17958 84 1 1 . 1 1 16 16 VAL H H 16 7.913 7.913 7.820 0.093 17958 85 1 1 . 1 1 17 17 ASN N N 17 118.754 118.754 118.973 -0.219 17958 86 1 1 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.542 0.090 17958 87 1 1 . 1 1 17 17 ASN C C 17 176.930 176.930 177.222 -0.292 17958 88 1 1 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.683 -0.827 17958 89 1 1 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.899 -0.264 17958 90 1 1 . 1 1 17 17 ASN H H 17 8.001 8.001 8.491 -0.490 17958 91 1 1 . 1 1 18 18 TRP N N 18 120.811 120.811 121.141 -0.330 17958 92 1 1 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.512 -0.037 17958 93 1 1 . 1 1 18 18 TRP C C 18 177.778 177.778 178.533 -0.755 17958 94 1 1 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.239 0.399 17958 95 1 1 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.729 -0.889 17958 96 1 1 . 1 1 18 18 TRP H H 18 8.408 8.408 8.501 -0.093 17958 97 1 1 . 1 1 19 19 GLY N N 19 105.598 105.598 105.633 -0.035 17958 98 1 1 . 1 1 19 19 GLY C C 19 177.037 177.037 175.933 1.104 17958 99 1 1 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.104 0.109 17958 100 1 1 . 1 1 19 19 GLY H H 19 8.395 8.395 8.402 -0.007 17958 101 1 1 . 1 1 20 20 GLU N N 20 121.656 121.656 122.584 -0.928 17958 102 1 1 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.101 0.052 17958 103 1 1 . 1 1 20 20 GLU C C 20 177.792 177.792 178.608 -0.816 17958 104 1 1 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.019 0.079 17958 105 1 1 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.687 -1.761 17958 106 1 1 . 1 1 20 20 GLU H H 20 8.345 8.345 7.721 0.624 17958 107 1 1 . 1 1 21 21 ALA N N 21 122.688 122.688 122.266 0.422 17958 108 1 1 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.126 -0.020 17958 109 1 1 . 1 1 21 21 ALA C C 21 180.552 180.552 179.587 0.965 17958 110 1 1 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.808 0.522 17958 111 1 1 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.293 -0.840 17958 112 1 1 . 1 1 21 21 ALA H H 21 8.065 8.065 7.730 0.335 17958 113 1 1 . 1 1 22 22 PHE N N 22 119.865 119.865 119.003 0.862 17958 114 1 1 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.149 0.017 17958 115 1 1 . 1 1 22 22 PHE C C 22 177.877 177.877 177.237 0.640 17958 116 1 1 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.526 -0.423 17958 117 1 1 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.501 -0.515 17958 118 1 1 . 1 1 22 22 PHE H H 22 8.856 8.856 8.270 0.586 17958 119 1 1 . 1 1 23 23 SER N N 23 113.333 113.333 115.872 -2.539 17958 120 1 1 . 1 1 23 23 SER HA H 23 4.112 4.112 4.031 0.081 17958 121 1 1 . 1 1 23 23 SER C C 23 177.301 177.301 176.586 0.715 17958 122 1 1 . 1 1 23 23 SER CA C 23 61.555 61.555 62.383 -0.827 17958 123 1 1 . 1 1 23 23 SER CB C 23 63.024 63.024 63.055 -0.031 17958 124 1 1 . 1 1 23 23 SER H H 23 8.238 8.238 7.984 0.254 17958 125 1 1 . 1 1 24 24 ALA N N 24 125.834 125.834 122.678 3.156 17958 126 1 1 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.024 0.133 17958 127 1 1 . 1 1 24 24 ALA C C 24 180.136 180.136 179.466 0.670 17958 128 1 1 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.426 1.145 17958 129 1 1 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.328 -0.908 17958 130 1 1 . 1 1 24 24 ALA H H 24 8.437 8.437 7.432 1.005 17958 131 1 1 . 1 1 25 25 GLY N N 25 106.183 106.183 106.783 -0.600 17958 132 1 1 . 1 1 25 25 GLY C C 25 175.966 175.966 176.067 -0.101 17958 133 1 1 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.691 0.413 17958 134 1 1 . 1 1 25 25 GLY H H 25 8.038 8.038 7.519 0.519 17958 135 1 1 . 1 1 26 26 VAL N N 26 120.836 120.836 121.943 -1.107 17958 136 1 1 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.442 0.206 17958 137 1 1 . 1 1 26 26 VAL C C 26 178.038 178.038 177.150 0.888 17958 138 1 1 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.947 -0.378 17958 139 1 1 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.065 0.491 17958 140 1 1 . 1 1 26 26 VAL H H 26 8.093 8.093 7.929 0.164 17958 141 1 1 . 1 1 27 27 HIS N N 27 115.116 115.116 118.771 -3.655 17958 142 1 1 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.331 -0.109 17958 143 1 1 . 1 1 27 27 HIS C C 27 176.446 176.446 177.644 -1.198 17958 144 1 1 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.011 -0.308 17958 145 1 1 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.768 -2.273 17958 146 1 1 . 1 1 27 27 HIS H H 27 8.005 8.005 7.616 0.389 17958 147 1 1 . 1 1 28 28 ARG N N 28 119.021 119.021 119.070 -0.049 17958 148 1 1 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.129 0.016 17958 149 1 1 . 1 1 28 28 ARG C C 28 178.390 178.390 178.532 -0.142 17958 150 1 1 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.690 0.521 17958 151 1 1 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.723 -0.220 17958 152 1 1 . 1 1 28 28 ARG H H 28 8.090 8.090 7.513 0.577 17958 153 1 1 . 1 1 29 29 LEU N N 29 120.208 120.208 119.008 1.200 17958 154 1 1 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.005 0.152 17958 155 1 1 . 1 1 29 29 LEU C C 29 179.176 179.176 178.660 0.516 17958 156 1 1 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.629 -0.183 17958 157 1 1 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.764 0.282 17958 158 1 1 . 1 1 29 29 LEU H H 29 8.057 8.057 7.758 0.299 17958 159 1 1 . 1 1 30 30 ALA N N 30 120.604 120.604 120.798 -0.194 17958 160 1 1 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.038 0.159 17958 161 1 1 . 1 1 30 30 ALA C C 30 178.350 178.350 178.895 -0.545 17958 162 1 1 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.579 -0.736 17958 163 1 1 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.848 -1.015 17958 164 1 1 . 1 1 30 30 ALA H H 30 8.242 8.242 8.122 0.120 17958 165 1 1 . 1 1 31 31 ASN N N 31 114.606 114.606 117.437 -2.831 17958 166 1 1 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.773 -0.015 17958 167 1 1 . 1 1 31 31 ASN C C 31 175.996 175.996 174.610 1.386 17958 168 1 1 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.599 -0.260 17958 169 1 1 . 1 1 31 31 ASN CB C 31 39.096 39.096 37.634 1.462 17958 170 1 1 . 1 1 31 31 ASN H H 31 7.798 7.798 8.086 -0.288 17958 171 1 1 . 1 1 32 32 GLY N N 32 106.804 106.804 108.418 -1.614 17958 172 1 1 . 1 1 32 32 GLY C C 32 174.824 174.824 174.409 0.415 17958 173 1 1 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.256 0.646 17958 174 1 1 . 1 1 32 32 GLY H H 32 8.021 8.021 7.697 0.324 17958 175 1 1 . 1 1 33 33 GLY N N 33 107.126 107.126 112.121 -4.995 17958 176 1 1 . 1 1 33 33 GLY C C 33 173.800 173.800 174.857 -1.057 17958 177 1 1 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.860 -0.448 17958 178 1 1 . 1 1 33 33 GLY H H 33 8.156 8.156 7.839 0.317 17958 179 1 1 . 1 1 34 34 ASN N N 34 116.972 116.972 119.280 -2.308 17958 180 1 1 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.702 0.037 17958 181 1 1 . 1 1 34 34 ASN C C 34 175.053 175.053 174.146 0.907 17958 182 1 1 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.334 -0.164 17958 183 1 1 . 1 1 34 34 ASN CB C 34 38.857 38.857 39.597 -0.740 17958 184 1 1 . 1 1 34 34 ASN H H 34 7.777 7.777 8.310 -0.533 17958 185 1 1 . 1 1 35 35 GLY N N 35 106.758 106.758 105.656 1.102 17958 186 1 1 . 1 1 35 35 GLY C C 35 173.201 173.201 173.228 -0.027 17958 187 1 1 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.530 0.535 17958 188 1 1 . 1 1 35 35 GLY H H 35 7.875 7.875 8.072 -0.197 17958 189 1 1 . 1 1 36 36 PHE N N 36 118.486 118.486 119.272 -0.786 17958 190 1 1 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.029 -0.449 17958 191 1 1 . 1 1 36 36 PHE C C 36 174.925 174.925 175.716 -0.791 17958 192 1 1 . 1 1 36 36 PHE CA C 36 57.975 57.975 56.786 1.188 17958 193 1 1 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.145 0.397 17958 194 1 1 . 1 1 36 36 PHE H H 36 7.537 7.537 8.474 -0.937 17958 195 1 2 . 1 1 2 2 TYR N N 2 121.377 121.377 121.407 -0.030 17958 196 1 2 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.515 0.070 17958 197 1 2 . 1 1 2 2 TYR C C 2 174.972 174.972 176.116 -1.144 17958 198 1 2 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.261 0.858 17958 199 1 2 . 1 1 2 2 TYR CB C 2 38.965 38.965 39.322 -0.357 17958 200 1 2 . 1 1 2 2 TYR H H 2 8.202 8.202 7.725 0.477 17958 201 1 2 . 1 1 3 3 TYR N N 3 122.159 122.159 124.718 -2.559 17958 202 1 2 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.445 0.077 17958 203 1 2 . 1 1 3 3 TYR C C 3 175.832 175.832 175.455 0.377 17958 204 1 2 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.671 0.434 17958 205 1 2 . 1 1 3 3 TYR CB C 3 38.683 38.683 36.782 1.901 17958 206 1 2 . 1 1 3 3 TYR H H 3 7.680 7.680 8.000 -0.320 17958 207 1 2 . 1 1 4 4 GLY N N 4 106.493 106.493 110.879 -4.386 17958 208 1 2 . 1 1 4 4 GLY C C 4 173.959 173.959 174.428 -0.469 17958 209 1 2 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.549 1.184 17958 210 1 2 . 1 1 4 4 GLY H H 4 6.940 6.940 7.897 -0.957 17958 211 1 2 . 1 1 5 5 ASN N N 5 117.075 117.075 124.946 -7.871 17958 212 1 2 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.717 0.007 17958 213 1 2 . 1 1 5 5 ASN C C 5 176.312 176.312 175.444 0.868 17958 214 1 2 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.181 1.112 17958 215 1 2 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.148 0.201 17958 216 1 2 . 1 1 5 5 ASN H H 5 7.973 7.973 8.677 -0.704 17958 217 1 2 . 1 1 6 6 GLY N N 6 107.279 107.279 112.526 -5.247 17958 218 1 2 . 1 1 6 6 GLY C C 6 175.528 175.528 174.425 1.103 17958 219 1 2 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.005 1.518 17958 220 1 2 . 1 1 6 6 GLY H H 6 8.279 8.279 8.125 0.154 17958 221 1 2 . 1 1 7 7 VAL N N 7 121.566 121.566 122.498 -0.932 17958 222 1 2 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.811 0.031 17958 223 1 2 . 1 1 7 7 VAL C C 7 177.059 177.059 176.673 0.386 17958 224 1 2 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.405 1.189 17958 225 1 2 . 1 1 7 7 VAL CB C 7 32.023 32.023 32.450 -0.427 17958 226 1 2 . 1 1 7 7 VAL H H 7 7.835 7.835 8.289 -0.454 17958 227 1 2 . 1 1 8 8 HIS N N 8 117.806 117.806 116.400 1.406 17958 228 1 2 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.436 0.090 17958 229 1 2 . 1 1 8 8 HIS C C 8 176.479 176.479 177.081 -0.602 17958 230 1 2 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.204 -0.252 17958 231 1 2 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.230 -0.879 17958 232 1 2 . 1 1 8 8 HIS H H 8 8.093 8.093 8.317 -0.224 17958 233 1 2 . 1 1 9 9 LEU N N 9 120.856 120.856 119.128 1.728 17958 234 1 2 . 1 1 9 9 LEU HA H 9 4.234 4.234 3.852 0.382 17958 235 1 2 . 1 1 9 9 LEU C C 9 178.449 178.449 177.754 0.695 17958 236 1 2 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.101 0.680 17958 237 1 2 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.519 0.735 17958 238 1 2 . 1 1 9 9 LEU H H 9 8.255 8.255 7.650 0.605 17958 239 1 2 . 1 1 10 10 THR N N 10 113.948 113.948 115.419 -1.471 17958 240 1 2 . 1 1 10 10 THR HA H 10 4.194 4.194 3.945 0.249 17958 241 1 2 . 1 1 10 10 THR C C 10 175.671 175.671 176.257 -0.586 17958 242 1 2 . 1 1 10 10 THR CA C 10 65.157 65.157 66.784 -1.627 17958 243 1 2 . 1 1 10 10 THR CB C 10 69.850 69.850 68.684 1.166 17958 244 1 2 . 1 1 10 10 THR H H 10 8.008 8.008 7.248 0.760 17958 245 1 2 . 1 1 11 11 LYS N N 11 120.215 120.215 120.227 -0.012 17958 246 1 2 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.174 0.008 17958 247 1 2 . 1 1 11 11 LYS C C 11 178.448 178.448 179.108 -0.660 17958 248 1 2 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.509 0.595 17958 249 1 2 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.120 0.045 17958 250 1 2 . 1 1 11 11 LYS H H 11 8.312 8.312 7.817 0.495 17958 251 1 2 . 1 1 12 12 SER N N 12 114.597 114.597 113.373 1.224 17958 252 1 2 . 1 1 12 12 SER HA H 12 4.318 4.318 4.303 0.015 17958 253 1 2 . 1 1 12 12 SER C C 12 175.635 175.635 174.734 0.901 17958 254 1 2 . 1 1 12 12 SER CA C 12 61.156 61.156 60.005 1.151 17958 255 1 2 . 1 1 12 12 SER CB C 12 63.074 63.074 63.997 -0.923 17958 256 1 2 . 1 1 12 12 SER H H 12 8.068 8.068 8.136 -0.068 17958 257 1 2 . 1 1 13 13 GLY N N 13 109.563 109.563 108.541 1.022 17958 258 1 2 . 1 1 13 13 GLY C C 13 175.776 175.776 174.310 1.466 17958 259 1 2 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.725 1.846 17958 260 1 2 . 1 1 13 13 GLY H H 13 8.216 8.216 7.378 0.838 17958 261 1 2 . 1 1 14 14 LEU N N 14 121.346 121.346 119.877 1.469 17958 262 1 2 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.182 0.130 17958 263 1 2 . 1 1 14 14 LEU C C 14 178.624 178.624 177.553 1.071 17958 264 1 2 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.549 -0.065 17958 265 1 2 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.456 0.605 17958 266 1 2 . 1 1 14 14 LEU H H 14 8.173 8.173 8.453 -0.280 17958 267 1 2 . 1 1 15 15 SER N N 15 113.795 113.795 115.986 -2.191 17958 268 1 2 . 1 1 15 15 SER HA H 15 4.385 4.385 4.229 0.156 17958 269 1 2 . 1 1 15 15 SER C C 15 175.964 175.964 176.394 -0.430 17958 270 1 2 . 1 1 15 15 SER CA C 15 61.201 61.201 61.530 -0.329 17958 271 1 2 . 1 1 15 15 SER CB C 15 63.397 63.397 62.551 0.846 17958 272 1 2 . 1 1 15 15 SER H H 15 7.945 7.945 8.299 -0.354 17958 273 1 2 . 1 1 16 16 VAL N N 16 121.965 121.965 121.606 0.359 17958 274 1 2 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.924 0.068 17958 275 1 2 . 1 1 16 16 VAL C C 16 177.176 177.176 177.472 -0.296 17958 276 1 2 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.385 1.034 17958 277 1 2 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.553 0.461 17958 278 1 2 . 1 1 16 16 VAL H H 16 7.913 7.913 8.106 -0.193 17958 279 1 2 . 1 1 17 17 ASN N N 17 118.754 118.754 118.627 0.127 17958 280 1 2 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.556 0.076 17958 281 1 2 . 1 1 17 17 ASN C C 17 176.930 176.930 177.371 -0.441 17958 282 1 2 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.789 -0.934 17958 283 1 2 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.632 0.003 17958 284 1 2 . 1 1 17 17 ASN H H 17 8.001 8.001 8.692 -0.691 17958 285 1 2 . 1 1 18 18 TRP N N 18 120.811 120.811 122.543 -1.732 17958 286 1 2 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.430 0.045 17958 287 1 2 . 1 1 18 18 TRP C C 18 177.778 177.778 177.962 -0.184 17958 288 1 2 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.244 0.393 17958 289 1 2 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.952 -1.112 17958 290 1 2 . 1 1 18 18 TRP H H 18 8.408 8.408 7.872 0.536 17958 291 1 2 . 1 1 19 19 GLY N N 19 105.598 105.598 105.874 -0.276 17958 292 1 2 . 1 1 19 19 GLY C C 19 177.037 177.037 176.197 0.840 17958 293 1 2 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.361 -0.148 17958 294 1 2 . 1 1 19 19 GLY H H 19 8.395 8.395 8.027 0.368 17958 295 1 2 . 1 1 20 20 GLU N N 20 121.656 121.656 122.005 -0.349 17958 296 1 2 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.078 0.075 17958 297 1 2 . 1 1 20 20 GLU C C 20 177.792 177.792 178.741 -0.949 17958 298 1 2 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.263 -0.165 17958 299 1 2 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.572 -1.646 17958 300 1 2 . 1 1 20 20 GLU H H 20 8.345 8.345 7.691 0.654 17958 301 1 2 . 1 1 21 21 ALA N N 21 122.688 122.688 122.472 0.216 17958 302 1 2 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.032 0.074 17958 303 1 2 . 1 1 21 21 ALA C C 21 180.552 180.552 179.458 1.094 17958 304 1 2 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.733 0.597 17958 305 1 2 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.119 -0.666 17958 306 1 2 . 1 1 21 21 ALA H H 21 8.065 8.065 7.897 0.168 17958 307 1 2 . 1 1 22 22 PHE N N 22 119.865 119.865 118.719 1.146 17958 308 1 2 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.860 0.306 17958 309 1 2 . 1 1 22 22 PHE C C 22 177.877 177.877 177.326 0.551 17958 310 1 2 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.273 -0.170 17958 311 1 2 . 1 1 22 22 PHE CB C 22 38.986 38.986 38.993 -0.007 17958 312 1 2 . 1 1 22 22 PHE H H 22 8.856 8.856 8.489 0.367 17958 313 1 2 . 1 1 23 23 SER N N 23 113.333 113.333 115.103 -1.770 17958 314 1 2 . 1 1 23 23 SER HA H 23 4.112 4.112 4.036 0.076 17958 315 1 2 . 1 1 23 23 SER C C 23 177.301 177.301 176.530 0.771 17958 316 1 2 . 1 1 23 23 SER CA C 23 61.555 61.555 61.827 -0.272 17958 317 1 2 . 1 1 23 23 SER CB C 23 63.024 63.024 63.010 0.014 17958 318 1 2 . 1 1 23 23 SER H H 23 8.238 8.238 7.818 0.420 17958 319 1 2 . 1 1 24 24 ALA N N 24 125.834 125.834 123.255 2.579 17958 320 1 2 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.045 0.112 17958 321 1 2 . 1 1 24 24 ALA C C 24 180.136 180.136 180.004 0.132 17958 322 1 2 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.678 0.893 17958 323 1 2 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.180 -0.760 17958 324 1 2 . 1 1 24 24 ALA H H 24 8.437 8.437 7.355 1.082 17958 325 1 2 . 1 1 25 25 GLY N N 25 106.183 106.183 107.164 -0.981 17958 326 1 2 . 1 1 25 25 GLY C C 25 175.966 175.966 176.162 -0.196 17958 327 1 2 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.949 0.155 17958 328 1 2 . 1 1 25 25 GLY H H 25 8.038 8.038 7.718 0.320 17958 329 1 2 . 1 1 26 26 VAL N N 26 120.836 120.836 122.111 -1.275 17958 330 1 2 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.565 0.083 17958 331 1 2 . 1 1 26 26 VAL C C 26 178.038 178.038 177.232 0.806 17958 332 1 2 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.751 -0.182 17958 333 1 2 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.103 0.453 17958 334 1 2 . 1 1 26 26 VAL H H 26 8.093 8.093 7.696 0.397 17958 335 1 2 . 1 1 27 27 HIS N N 27 115.116 115.116 119.397 -4.281 17958 336 1 2 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.286 -0.064 17958 337 1 2 . 1 1 27 27 HIS C C 27 176.446 176.446 177.555 -1.109 17958 338 1 2 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.342 -0.639 17958 339 1 2 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.091 -2.596 17958 340 1 2 . 1 1 27 27 HIS H H 27 8.005 8.005 8.050 -0.045 17958 341 1 2 . 1 1 28 28 ARG N N 28 119.021 119.021 119.460 -0.439 17958 342 1 2 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.197 -0.052 17958 343 1 2 . 1 1 28 28 ARG C C 28 178.390 178.390 179.393 -1.003 17958 344 1 2 . 1 1 28 28 ARG CA C 28 59.211 59.211 57.993 1.218 17958 345 1 2 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.517 -0.014 17958 346 1 2 . 1 1 28 28 ARG H H 28 8.090 8.090 7.515 0.575 17958 347 1 2 . 1 1 29 29 LEU N N 29 120.208 120.208 119.950 0.258 17958 348 1 2 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.021 0.136 17958 349 1 2 . 1 1 29 29 LEU C C 29 179.176 179.176 178.624 0.552 17958 350 1 2 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.562 -0.116 17958 351 1 2 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.853 0.193 17958 352 1 2 . 1 1 29 29 LEU H H 29 8.057 8.057 7.921 0.136 17958 353 1 2 . 1 1 30 30 ALA N N 30 120.604 120.604 118.768 1.836 17958 354 1 2 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.121 0.076 17958 355 1 2 . 1 1 30 30 ALA C C 30 178.350 178.350 177.568 0.782 17958 356 1 2 . 1 1 30 30 ALA CA C 30 53.843 53.843 53.731 0.112 17958 357 1 2 . 1 1 30 30 ALA CB C 30 17.833 17.833 19.017 -1.184 17958 358 1 2 . 1 1 30 30 ALA H H 30 8.242 8.242 7.599 0.643 17958 359 1 2 . 1 1 31 31 ASN N N 31 114.606 114.606 117.042 -2.436 17958 360 1 2 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.736 0.022 17958 361 1 2 . 1 1 31 31 ASN C C 31 175.996 175.996 174.677 1.319 17958 362 1 2 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.480 -0.141 17958 363 1 2 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.319 -0.223 17958 364 1 2 . 1 1 31 31 ASN H H 31 7.798 7.798 7.589 0.209 17958 365 1 2 . 1 1 32 32 GLY N N 32 106.804 106.804 111.536 -4.732 17958 366 1 2 . 1 1 32 32 GLY C C 32 174.824 174.824 173.910 0.914 17958 367 1 2 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.176 0.726 17958 368 1 2 . 1 1 32 32 GLY H H 32 8.021 8.021 8.614 -0.593 17958 369 1 2 . 1 1 33 33 GLY N N 33 107.126 107.126 107.822 -0.696 17958 370 1 2 . 1 1 33 33 GLY C C 33 173.800 173.800 174.293 -0.493 17958 371 1 2 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.928 0.484 17958 372 1 2 . 1 1 33 33 GLY H H 33 8.156 8.156 8.511 -0.355 17958 373 1 2 . 1 1 34 34 ASN N N 34 116.972 116.972 118.922 -1.950 17958 374 1 2 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.770 -0.031 17958 375 1 2 . 1 1 34 34 ASN C C 34 175.053 175.053 175.638 -0.585 17958 376 1 2 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.460 0.710 17958 377 1 2 . 1 1 34 34 ASN CB C 34 38.857 38.857 39.099 -0.242 17958 378 1 2 . 1 1 34 34 ASN H H 34 7.777 7.777 7.938 -0.161 17958 379 1 2 . 1 1 35 35 GLY N N 35 106.758 106.758 107.599 -0.841 17958 380 1 2 . 1 1 35 35 GLY C C 35 173.201 173.201 173.615 -0.414 17958 381 1 2 . 1 1 35 35 GLY CA C 35 45.065 45.065 45.105 -0.040 17958 382 1 2 . 1 1 35 35 GLY H H 35 7.875 7.875 8.749 -0.874 17958 383 1 2 . 1 1 36 36 PHE N N 36 118.486 118.486 122.955 -4.469 17958 384 1 2 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.617 -0.037 17958 385 1 2 . 1 1 36 36 PHE C C 36 174.925 174.925 175.770 -0.845 17958 386 1 2 . 1 1 36 36 PHE CA C 36 57.975 57.975 58.584 -0.610 17958 387 1 2 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.804 -0.262 17958 388 1 2 . 1 1 36 36 PHE H H 36 7.537 7.537 8.666 -1.129 17958 389 1 3 . 1 1 2 2 TYR N N 2 121.377 121.377 120.003 1.374 17958 390 1 3 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.707 -0.122 17958 391 1 3 . 1 1 2 2 TYR C C 2 174.972 174.972 175.721 -0.749 17958 392 1 3 . 1 1 2 2 TYR CA C 2 58.119 58.119 56.630 1.489 17958 393 1 3 . 1 1 2 2 TYR CB C 2 38.965 38.965 39.725 -0.760 17958 394 1 3 . 1 1 2 2 TYR H H 2 8.202 8.202 8.381 -0.179 17958 395 1 3 . 1 1 3 3 TYR N N 3 122.159 122.159 119.589 2.570 17958 396 1 3 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.801 -0.279 17958 397 1 3 . 1 1 3 3 TYR C C 3 175.832 175.832 175.603 0.229 17958 398 1 3 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.843 0.262 17958 399 1 3 . 1 1 3 3 TYR CB C 3 38.683 38.683 38.713 -0.030 17958 400 1 3 . 1 1 3 3 TYR H H 3 7.680 7.680 8.448 -0.768 17958 401 1 3 . 1 1 4 4 GLY N N 4 106.493 106.493 108.325 -1.832 17958 402 1 3 . 1 1 4 4 GLY C C 4 173.959 173.959 173.022 0.937 17958 403 1 3 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.351 1.382 17958 404 1 3 . 1 1 4 4 GLY H H 4 6.940 6.940 7.218 -0.278 17958 405 1 3 . 1 1 5 5 ASN N N 5 117.075 117.075 118.861 -1.786 17958 406 1 3 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.663 0.061 17958 407 1 3 . 1 1 5 5 ASN C C 5 176.312 176.312 174.288 2.024 17958 408 1 3 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.971 0.322 17958 409 1 3 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.775 -0.426 17958 410 1 3 . 1 1 5 5 ASN H H 5 7.973 7.973 8.459 -0.486 17958 411 1 3 . 1 1 6 6 GLY N N 6 107.279 107.279 111.812 -4.533 17958 412 1 3 . 1 1 6 6 GLY C C 6 175.528 175.528 174.187 1.341 17958 413 1 3 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.667 0.856 17958 414 1 3 . 1 1 6 6 GLY H H 6 8.279 8.279 7.906 0.373 17958 415 1 3 . 1 1 7 7 VAL N N 7 121.566 121.566 121.166 0.400 17958 416 1 3 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.912 -0.070 17958 417 1 3 . 1 1 7 7 VAL C C 7 177.059 177.059 176.527 0.532 17958 418 1 3 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.180 1.414 17958 419 1 3 . 1 1 7 7 VAL CB C 7 32.023 32.023 32.522 -0.499 17958 420 1 3 . 1 1 7 7 VAL H H 7 7.835 7.835 8.194 -0.359 17958 421 1 3 . 1 1 8 8 HIS N N 8 117.806 117.806 119.407 -1.601 17958 422 1 3 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.497 0.029 17958 423 1 3 . 1 1 8 8 HIS C C 8 176.479 176.479 177.536 -1.057 17958 424 1 3 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.586 -0.634 17958 425 1 3 . 1 1 8 8 HIS CB C 8 28.351 28.351 30.005 -1.654 17958 426 1 3 . 1 1 8 8 HIS H H 8 8.093 8.093 8.265 -0.172 17958 427 1 3 . 1 1 9 9 LEU N N 9 120.856 120.856 118.655 2.201 17958 428 1 3 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.030 0.204 17958 429 1 3 . 1 1 9 9 LEU C C 9 178.449 178.449 177.827 0.622 17958 430 1 3 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.143 0.638 17958 431 1 3 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.733 0.521 17958 432 1 3 . 1 1 9 9 LEU H H 9 8.255 8.255 8.261 -0.006 17958 433 1 3 . 1 1 10 10 THR N N 10 113.948 113.948 115.588 -1.640 17958 434 1 3 . 1 1 10 10 THR HA H 10 4.194 4.194 3.965 0.229 17958 435 1 3 . 1 1 10 10 THR C C 10 175.671 175.671 176.301 -0.630 17958 436 1 3 . 1 1 10 10 THR CA C 10 65.157 65.157 66.909 -1.752 17958 437 1 3 . 1 1 10 10 THR CB C 10 69.850 69.850 68.771 1.079 17958 438 1 3 . 1 1 10 10 THR H H 10 8.008 8.008 7.325 0.682 17958 439 1 3 . 1 1 11 11 LYS N N 11 120.215 120.215 121.162 -0.947 17958 440 1 3 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.096 0.086 17958 441 1 3 . 1 1 11 11 LYS C C 11 178.448 178.448 179.041 -0.593 17958 442 1 3 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.678 0.426 17958 443 1 3 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.327 -0.161 17958 444 1 3 . 1 1 11 11 LYS H H 11 8.312 8.312 7.814 0.498 17958 445 1 3 . 1 1 12 12 SER N N 12 114.597 114.597 112.334 2.263 17958 446 1 3 . 1 1 12 12 SER HA H 12 4.318 4.318 4.143 0.175 17958 447 1 3 . 1 1 12 12 SER C C 12 175.635 175.635 174.806 0.829 17958 448 1 3 . 1 1 12 12 SER CA C 12 61.156 61.156 60.002 1.154 17958 449 1 3 . 1 1 12 12 SER CB C 12 63.074 63.074 63.520 -0.446 17958 450 1 3 . 1 1 12 12 SER H H 12 8.068 8.068 8.027 0.041 17958 451 1 3 . 1 1 13 13 GLY N N 13 109.563 109.563 107.122 2.441 17958 452 1 3 . 1 1 13 13 GLY C C 13 175.776 175.776 174.714 1.062 17958 453 1 3 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.816 1.755 17958 454 1 3 . 1 1 13 13 GLY H H 13 8.216 8.216 7.384 0.832 17958 455 1 3 . 1 1 14 14 LEU N N 14 121.346 121.346 119.631 1.715 17958 456 1 3 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.216 0.096 17958 457 1 3 . 1 1 14 14 LEU C C 14 178.624 178.624 177.643 0.981 17958 458 1 3 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.955 -0.471 17958 459 1 3 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.639 0.422 17958 460 1 3 . 1 1 14 14 LEU H H 14 8.173 8.173 8.346 -0.173 17958 461 1 3 . 1 1 15 15 SER N N 15 113.795 113.795 115.604 -1.809 17958 462 1 3 . 1 1 15 15 SER HA H 15 4.385 4.385 4.205 0.180 17958 463 1 3 . 1 1 15 15 SER C C 15 175.964 175.964 176.475 -0.511 17958 464 1 3 . 1 1 15 15 SER CA C 15 61.201 61.201 61.423 -0.223 17958 465 1 3 . 1 1 15 15 SER CB C 15 63.397 63.397 62.064 1.333 17958 466 1 3 . 1 1 15 15 SER H H 15 7.945 7.945 8.217 -0.272 17958 467 1 3 . 1 1 16 16 VAL N N 16 121.965 121.965 121.872 0.093 17958 468 1 3 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.863 0.129 17958 469 1 3 . 1 1 16 16 VAL C C 16 177.176 177.176 177.140 0.036 17958 470 1 3 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.403 1.016 17958 471 1 3 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.661 0.353 17958 472 1 3 . 1 1 16 16 VAL H H 16 7.913 7.913 7.765 0.148 17958 473 1 3 . 1 1 17 17 ASN N N 17 118.754 118.754 118.366 0.388 17958 474 1 3 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.778 -0.146 17958 475 1 3 . 1 1 17 17 ASN C C 17 176.930 176.930 177.071 -0.141 17958 476 1 3 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.385 -0.529 17958 477 1 3 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.562 0.073 17958 478 1 3 . 1 1 17 17 ASN H H 17 8.001 8.001 8.715 -0.714 17958 479 1 3 . 1 1 18 18 TRP N N 18 120.811 120.811 121.916 -1.105 17958 480 1 3 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.397 0.078 17958 481 1 3 . 1 1 18 18 TRP C C 18 177.778 177.778 178.061 -0.283 17958 482 1 3 . 1 1 18 18 TRP CA C 18 60.637 60.637 62.043 -1.406 17958 483 1 3 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.305 -0.465 17958 484 1 3 . 1 1 18 18 TRP H H 18 8.408 8.408 7.885 0.523 17958 485 1 3 . 1 1 19 19 GLY N N 19 105.598 105.598 105.257 0.341 17958 486 1 3 . 1 1 19 19 GLY C C 19 177.037 177.037 176.168 0.869 17958 487 1 3 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.083 0.130 17958 488 1 3 . 1 1 19 19 GLY H H 19 8.395 8.395 8.428 -0.033 17958 489 1 3 . 1 1 20 20 GLU N N 20 121.656 121.656 122.296 -0.640 17958 490 1 3 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.057 0.096 17958 491 1 3 . 1 1 20 20 GLU C C 20 177.792 177.792 179.026 -1.234 17958 492 1 3 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.037 0.061 17958 493 1 3 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.638 -1.712 17958 494 1 3 . 1 1 20 20 GLU H H 20 8.345 8.345 7.606 0.739 17958 495 1 3 . 1 1 21 21 ALA N N 21 122.688 122.688 122.259 0.429 17958 496 1 3 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.117 -0.011 17958 497 1 3 . 1 1 21 21 ALA C C 21 180.552 180.552 179.461 1.091 17958 498 1 3 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.793 0.537 17958 499 1 3 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.217 -0.764 17958 500 1 3 . 1 1 21 21 ALA H H 21 8.065 8.065 8.354 -0.289 17958 501 1 3 . 1 1 22 22 PHE N N 22 119.865 119.865 119.223 0.642 17958 502 1 3 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.089 0.077 17958 503 1 3 . 1 1 22 22 PHE C C 22 177.877 177.877 177.294 0.583 17958 504 1 3 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.410 -0.307 17958 505 1 3 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.307 -0.321 17958 506 1 3 . 1 1 22 22 PHE H H 22 8.856 8.856 8.137 0.719 17958 507 1 3 . 1 1 23 23 SER N N 23 113.333 113.333 114.810 -1.477 17958 508 1 3 . 1 1 23 23 SER HA H 23 4.112 4.112 4.062 0.050 17958 509 1 3 . 1 1 23 23 SER C C 23 177.301 177.301 176.604 0.697 17958 510 1 3 . 1 1 23 23 SER CA C 23 61.555 61.555 61.684 -0.129 17958 511 1 3 . 1 1 23 23 SER CB C 23 63.024 63.024 63.045 -0.021 17958 512 1 3 . 1 1 23 23 SER H H 23 8.238 8.238 8.021 0.217 17958 513 1 3 . 1 1 24 24 ALA N N 24 125.834 125.834 123.778 2.056 17958 514 1 3 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.068 0.089 17958 515 1 3 . 1 1 24 24 ALA C C 24 180.136 180.136 179.475 0.661 17958 516 1 3 . 1 1 24 24 ALA CA C 24 55.571 55.571 55.003 0.568 17958 517 1 3 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.264 -0.844 17958 518 1 3 . 1 1 24 24 ALA H H 24 8.437 8.437 7.545 0.892 17958 519 1 3 . 1 1 25 25 GLY N N 25 106.183 106.183 107.137 -0.954 17958 520 1 3 . 1 1 25 25 GLY C C 25 175.966 175.966 176.202 -0.236 17958 521 1 3 . 1 1 25 25 GLY CA C 25 47.104 47.104 47.085 0.019 17958 522 1 3 . 1 1 25 25 GLY H H 25 8.038 8.038 7.623 0.415 17958 523 1 3 . 1 1 26 26 VAL N N 26 120.836 120.836 122.401 -1.565 17958 524 1 3 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.467 0.181 17958 525 1 3 . 1 1 26 26 VAL C C 26 178.038 178.038 177.387 0.651 17958 526 1 3 . 1 1 26 26 VAL CA C 26 66.569 66.569 67.024 -0.455 17958 527 1 3 . 1 1 26 26 VAL CB C 26 31.556 31.556 30.955 0.601 17958 528 1 3 . 1 1 26 26 VAL H H 26 8.093 8.093 7.455 0.638 17958 529 1 3 . 1 1 27 27 HIS N N 27 115.116 115.116 119.782 -4.666 17958 530 1 3 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.186 0.036 17958 531 1 3 . 1 1 27 27 HIS C C 27 176.446 176.446 177.753 -1.307 17958 532 1 3 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.720 -0.017 17958 533 1 3 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.161 -2.666 17958 534 1 3 . 1 1 27 27 HIS H H 27 8.005 8.005 7.936 0.069 17958 535 1 3 . 1 1 28 28 ARG N N 28 119.021 119.021 118.725 0.296 17958 536 1 3 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.971 0.174 17958 537 1 3 . 1 1 28 28 ARG C C 28 178.390 178.390 178.608 -0.218 17958 538 1 3 . 1 1 28 28 ARG CA C 28 59.211 59.211 57.869 1.342 17958 539 1 3 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.639 -0.136 17958 540 1 3 . 1 1 28 28 ARG H H 28 8.090 8.090 7.695 0.395 17958 541 1 3 . 1 1 29 29 LEU N N 29 120.208 120.208 119.605 0.603 17958 542 1 3 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.901 0.256 17958 543 1 3 . 1 1 29 29 LEU C C 29 179.176 179.176 178.961 0.215 17958 544 1 3 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.988 -0.542 17958 545 1 3 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.688 0.358 17958 546 1 3 . 1 1 29 29 LEU H H 29 8.057 8.057 8.093 -0.036 17958 547 1 3 . 1 1 30 30 ALA N N 30 120.604 120.604 120.259 0.345 17958 548 1 3 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.022 0.175 17958 549 1 3 . 1 1 30 30 ALA C C 30 178.350 178.350 178.454 -0.104 17958 550 1 3 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.493 -0.650 17958 551 1 3 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.867 -1.034 17958 552 1 3 . 1 1 30 30 ALA H H 30 8.242 8.242 7.852 0.390 17958 553 1 3 . 1 1 31 31 ASN N N 31 114.606 114.606 117.492 -2.886 17958 554 1 3 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.651 0.107 17958 555 1 3 . 1 1 31 31 ASN C C 31 175.996 175.996 175.017 0.979 17958 556 1 3 . 1 1 31 31 ASN CA C 31 53.339 53.339 52.261 1.078 17958 557 1 3 . 1 1 31 31 ASN CB C 31 39.096 39.096 36.998 2.098 17958 558 1 3 . 1 1 31 31 ASN H H 31 7.798 7.798 7.762 0.036 17958 559 1 3 . 1 1 32 32 GLY N N 32 106.804 106.804 111.735 -4.931 17958 560 1 3 . 1 1 32 32 GLY C C 32 174.824 174.824 173.933 0.891 17958 561 1 3 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.187 0.715 17958 562 1 3 . 1 1 32 32 GLY H H 32 8.021 8.021 7.778 0.243 17958 563 1 3 . 1 1 33 33 GLY N N 33 107.126 107.126 113.353 -6.227 17958 564 1 3 . 1 1 33 33 GLY C C 33 173.800 173.800 173.241 0.559 17958 565 1 3 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.487 0.925 17958 566 1 3 . 1 1 33 33 GLY H H 33 8.156 8.156 7.950 0.206 17958 567 1 3 . 1 1 34 34 ASN N N 34 116.972 116.972 121.379 -4.407 17958 568 1 3 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.799 -0.060 17958 569 1 3 . 1 1 34 34 ASN C C 34 175.053 175.053 176.613 -1.560 17958 570 1 3 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.657 0.513 17958 571 1 3 . 1 1 34 34 ASN CB C 34 38.857 38.857 38.925 -0.069 17958 572 1 3 . 1 1 34 34 ASN H H 34 7.777 7.777 7.910 -0.133 17958 573 1 3 . 1 1 35 35 GLY N N 35 106.758 106.758 113.424 -6.666 17958 574 1 3 . 1 1 35 35 GLY C C 35 173.201 173.201 174.474 -1.273 17958 575 1 3 . 1 1 35 35 GLY CA C 35 45.065 45.065 45.504 -0.439 17958 576 1 3 . 1 1 35 35 GLY H H 35 7.875 7.875 8.932 -1.057 17958 577 1 3 . 1 1 36 36 PHE N N 36 118.486 118.486 125.715 -7.229 17958 578 1 3 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.716 -0.136 17958 579 1 3 . 1 1 36 36 PHE C C 36 174.925 174.925 175.127 -0.202 17958 580 1 3 . 1 1 36 36 PHE CA C 36 57.975 57.975 55.718 2.257 17958 581 1 3 . 1 1 36 36 PHE CB C 36 39.542 39.542 38.279 1.263 17958 582 1 3 . 1 1 36 36 PHE H H 36 7.537 7.537 7.849 -0.312 17958 583 1 4 . 1 1 2 2 TYR N N 2 121.377 121.377 119.298 2.079 17958 584 1 4 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.218 0.367 17958 585 1 4 . 1 1 2 2 TYR C C 2 174.972 174.972 175.163 -0.191 17958 586 1 4 . 1 1 2 2 TYR CA C 2 58.119 58.119 58.408 -0.289 17958 587 1 4 . 1 1 2 2 TYR CB C 2 38.965 38.965 36.876 2.089 17958 588 1 4 . 1 1 2 2 TYR H H 2 8.202 8.202 8.311 -0.109 17958 589 1 4 . 1 1 3 3 TYR N N 3 122.159 122.159 122.934 -0.775 17958 590 1 4 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.544 -0.022 17958 591 1 4 . 1 1 3 3 TYR C C 3 175.832 175.832 175.612 0.220 17958 592 1 4 . 1 1 3 3 TYR CA C 3 58.105 58.105 56.471 1.634 17958 593 1 4 . 1 1 3 3 TYR CB C 3 38.683 38.683 36.663 2.020 17958 594 1 4 . 1 1 3 3 TYR H H 3 7.680 7.680 8.119 -0.439 17958 595 1 4 . 1 1 4 4 GLY N N 4 106.493 106.493 111.992 -5.499 17958 596 1 4 . 1 1 4 4 GLY C C 4 173.959 173.959 174.530 -0.571 17958 597 1 4 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.184 0.549 17958 598 1 4 . 1 1 4 4 GLY H H 4 6.940 6.940 7.827 -0.887 17958 599 1 4 . 1 1 5 5 ASN N N 5 117.075 117.075 124.295 -7.220 17958 600 1 4 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.185 0.539 17958 601 1 4 . 1 1 5 5 ASN C C 5 176.312 176.312 176.336 -0.024 17958 602 1 4 . 1 1 5 5 ASN CA C 5 54.293 54.293 52.913 1.380 17958 603 1 4 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.361 -0.012 17958 604 1 4 . 1 1 5 5 ASN H H 5 7.973 7.973 8.098 -0.125 17958 605 1 4 . 1 1 6 6 GLY N N 6 107.279 107.279 109.437 -2.158 17958 606 1 4 . 1 1 6 6 GLY C C 6 175.528 175.528 175.280 0.248 17958 607 1 4 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.185 1.337 17958 608 1 4 . 1 1 6 6 GLY H H 6 8.279 8.279 8.135 0.144 17958 609 1 4 . 1 1 7 7 VAL N N 7 121.566 121.566 117.555 4.011 17958 610 1 4 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.670 0.172 17958 611 1 4 . 1 1 7 7 VAL C C 7 177.059 177.059 176.575 0.484 17958 612 1 4 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.458 1.136 17958 613 1 4 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.311 0.713 17958 614 1 4 . 1 1 7 7 VAL H H 7 7.835 7.835 7.671 0.164 17958 615 1 4 . 1 1 8 8 HIS N N 8 117.806 117.806 118.393 -0.587 17958 616 1 4 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.356 0.170 17958 617 1 4 . 1 1 8 8 HIS C C 8 176.479 176.479 177.612 -1.133 17958 618 1 4 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.048 -1.096 17958 619 1 4 . 1 1 8 8 HIS CB C 8 28.351 28.351 28.855 -0.504 17958 620 1 4 . 1 1 8 8 HIS H H 8 8.093 8.093 8.016 0.077 17958 621 1 4 . 1 1 9 9 LEU N N 9 120.856 120.856 119.309 1.547 17958 622 1 4 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.097 0.137 17958 623 1 4 . 1 1 9 9 LEU C C 9 178.449 178.449 177.988 0.461 17958 624 1 4 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.356 0.425 17958 625 1 4 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.674 0.580 17958 626 1 4 . 1 1 9 9 LEU H H 9 8.255 8.255 8.087 0.168 17958 627 1 4 . 1 1 10 10 THR N N 10 113.948 113.948 115.437 -1.489 17958 628 1 4 . 1 1 10 10 THR HA H 10 4.194 4.194 3.768 0.426 17958 629 1 4 . 1 1 10 10 THR C C 10 175.671 175.671 176.243 -0.572 17958 630 1 4 . 1 1 10 10 THR CA C 10 65.157 65.157 66.697 -1.540 17958 631 1 4 . 1 1 10 10 THR CB C 10 69.850 69.850 68.653 1.196 17958 632 1 4 . 1 1 10 10 THR H H 10 8.008 8.008 7.223 0.785 17958 633 1 4 . 1 1 11 11 LYS N N 11 120.215 120.215 120.512 -0.297 17958 634 1 4 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.094 0.088 17958 635 1 4 . 1 1 11 11 LYS C C 11 178.448 178.448 178.899 -0.451 17958 636 1 4 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.578 0.526 17958 637 1 4 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.256 -0.091 17958 638 1 4 . 1 1 11 11 LYS H H 11 8.312 8.312 7.787 0.525 17958 639 1 4 . 1 1 12 12 SER N N 12 114.597 114.597 113.590 1.007 17958 640 1 4 . 1 1 12 12 SER HA H 12 4.318 4.318 4.258 0.060 17958 641 1 4 . 1 1 12 12 SER C C 12 175.635 175.635 174.713 0.922 17958 642 1 4 . 1 1 12 12 SER CA C 12 61.156 61.156 59.404 1.752 17958 643 1 4 . 1 1 12 12 SER CB C 12 63.074 63.074 63.782 -0.708 17958 644 1 4 . 1 1 12 12 SER H H 12 8.068 8.068 8.114 -0.046 17958 645 1 4 . 1 1 13 13 GLY N N 13 109.563 109.563 108.375 1.188 17958 646 1 4 . 1 1 13 13 GLY C C 13 175.776 175.776 174.064 1.712 17958 647 1 4 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.595 1.976 17958 648 1 4 . 1 1 13 13 GLY H H 13 8.216 8.216 7.330 0.886 17958 649 1 4 . 1 1 14 14 LEU N N 14 121.346 121.346 118.780 2.566 17958 650 1 4 . 1 1 14 14 LEU HA H 14 4.312 4.312 3.716 0.596 17958 651 1 4 . 1 1 14 14 LEU C C 14 178.624 178.624 177.019 1.605 17958 652 1 4 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.124 0.360 17958 653 1 4 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.074 0.987 17958 654 1 4 . 1 1 14 14 LEU H H 14 8.173 8.173 8.285 -0.112 17958 655 1 4 . 1 1 15 15 SER N N 15 113.795 113.795 115.954 -2.159 17958 656 1 4 . 1 1 15 15 SER HA H 15 4.385 4.385 4.440 -0.055 17958 657 1 4 . 1 1 15 15 SER C C 15 175.964 175.964 176.585 -0.621 17958 658 1 4 . 1 1 15 15 SER CA C 15 61.201 61.201 61.977 -0.776 17958 659 1 4 . 1 1 15 15 SER CB C 15 63.397 63.397 62.422 0.975 17958 660 1 4 . 1 1 15 15 SER H H 15 7.945 7.945 8.177 -0.232 17958 661 1 4 . 1 1 16 16 VAL N N 16 121.965 121.965 122.408 -0.443 17958 662 1 4 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.931 0.061 17958 663 1 4 . 1 1 16 16 VAL C C 16 177.176 177.176 177.296 -0.120 17958 664 1 4 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.082 1.337 17958 665 1 4 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.512 0.501 17958 666 1 4 . 1 1 16 16 VAL H H 16 7.913 7.913 8.014 -0.101 17958 667 1 4 . 1 1 17 17 ASN N N 17 118.754 118.754 118.920 -0.166 17958 668 1 4 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.500 0.132 17958 669 1 4 . 1 1 17 17 ASN C C 17 176.930 176.930 177.521 -0.591 17958 670 1 4 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.962 -1.105 17958 671 1 4 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.337 0.298 17958 672 1 4 . 1 1 17 17 ASN H H 17 8.001 8.001 8.578 -0.577 17958 673 1 4 . 1 1 18 18 TRP N N 18 120.811 120.811 121.012 -0.201 17958 674 1 4 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.528 -0.053 17958 675 1 4 . 1 1 18 18 TRP C C 18 177.778 177.778 178.782 -1.004 17958 676 1 4 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.247 0.390 17958 677 1 4 . 1 1 18 18 TRP CB C 18 28.840 28.840 28.971 -0.131 17958 678 1 4 . 1 1 18 18 TRP H H 18 8.408 8.408 7.764 0.644 17958 679 1 4 . 1 1 19 19 GLY N N 19 105.598 105.598 106.004 -0.406 17958 680 1 4 . 1 1 19 19 GLY C C 19 177.037 177.037 176.229 0.808 17958 681 1 4 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.040 0.173 17958 682 1 4 . 1 1 19 19 GLY H H 19 8.395 8.395 8.011 0.384 17958 683 1 4 . 1 1 20 20 GLU N N 20 121.656 121.656 122.795 -1.139 17958 684 1 4 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.130 0.023 17958 685 1 4 . 1 1 20 20 GLU C C 20 177.792 177.792 178.889 -1.097 17958 686 1 4 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.031 0.067 17958 687 1 4 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.806 -1.881 17958 688 1 4 . 1 1 20 20 GLU H H 20 8.345 8.345 7.925 0.420 17958 689 1 4 . 1 1 21 21 ALA N N 21 122.688 122.688 122.304 0.384 17958 690 1 4 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.204 -0.098 17958 691 1 4 . 1 1 21 21 ALA C C 21 180.552 180.552 179.658 0.894 17958 692 1 4 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.864 0.466 17958 693 1 4 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.444 -0.991 17958 694 1 4 . 1 1 21 21 ALA H H 21 8.065 8.065 8.209 -0.144 17958 695 1 4 . 1 1 22 22 PHE N N 22 119.865 119.865 119.440 0.425 17958 696 1 4 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.257 -0.091 17958 697 1 4 . 1 1 22 22 PHE C C 22 177.877 177.877 177.212 0.665 17958 698 1 4 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.576 0.527 17958 699 1 4 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.386 -0.400 17958 700 1 4 . 1 1 22 22 PHE H H 22 8.856 8.856 8.006 0.850 17958 701 1 4 . 1 1 23 23 SER N N 23 113.333 113.333 115.291 -1.958 17958 702 1 4 . 1 1 23 23 SER HA H 23 4.112 4.112 4.138 -0.026 17958 703 1 4 . 1 1 23 23 SER C C 23 177.301 177.301 176.819 0.482 17958 704 1 4 . 1 1 23 23 SER CA C 23 61.555 61.555 62.099 -0.544 17958 705 1 4 . 1 1 23 23 SER CB C 23 63.024 63.024 62.992 0.032 17958 706 1 4 . 1 1 23 23 SER H H 23 8.238 8.238 8.081 0.157 17958 707 1 4 . 1 1 24 24 ALA N N 24 125.834 125.834 123.306 2.528 17958 708 1 4 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.086 0.071 17958 709 1 4 . 1 1 24 24 ALA C C 24 180.136 180.136 179.548 0.588 17958 710 1 4 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.682 0.889 17958 711 1 4 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.207 -0.787 17958 712 1 4 . 1 1 24 24 ALA H H 24 8.437 8.437 7.666 0.771 17958 713 1 4 . 1 1 25 25 GLY N N 25 106.183 106.183 106.690 -0.507 17958 714 1 4 . 1 1 25 25 GLY C C 25 175.966 175.966 176.137 -0.171 17958 715 1 4 . 1 1 25 25 GLY CA C 25 47.104 47.104 47.139 -0.035 17958 716 1 4 . 1 1 25 25 GLY H H 25 8.038 8.038 7.831 0.207 17958 717 1 4 . 1 1 26 26 VAL N N 26 120.836 120.836 123.039 -2.203 17958 718 1 4 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.705 -0.057 17958 719 1 4 . 1 1 26 26 VAL C C 26 178.038 178.038 177.659 0.379 17958 720 1 4 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.388 0.181 17958 721 1 4 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.416 0.140 17958 722 1 4 . 1 1 26 26 VAL H H 26 8.093 8.093 7.338 0.755 17958 723 1 4 . 1 1 27 27 HIS N N 27 115.116 115.116 119.749 -4.633 17958 724 1 4 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.292 -0.070 17958 725 1 4 . 1 1 27 27 HIS C C 27 176.446 176.446 177.232 -0.786 17958 726 1 4 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.017 -0.314 17958 727 1 4 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.941 -2.446 17958 728 1 4 . 1 1 27 27 HIS H H 27 8.005 8.005 7.673 0.332 17958 729 1 4 . 1 1 28 28 ARG N N 28 119.021 119.021 119.098 -0.077 17958 730 1 4 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.973 0.172 17958 731 1 4 . 1 1 28 28 ARG C C 28 178.390 178.390 178.355 0.035 17958 732 1 4 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.462 0.749 17958 733 1 4 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.864 -0.361 17958 734 1 4 . 1 1 28 28 ARG H H 28 8.090 8.090 7.577 0.513 17958 735 1 4 . 1 1 29 29 LEU N N 29 120.208 120.208 118.589 1.619 17958 736 1 4 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.049 0.108 17958 737 1 4 . 1 1 29 29 LEU C C 29 179.176 179.176 178.666 0.510 17958 738 1 4 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.450 -0.004 17958 739 1 4 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.870 0.176 17958 740 1 4 . 1 1 29 29 LEU H H 29 8.057 8.057 7.855 0.202 17958 741 1 4 . 1 1 30 30 ALA N N 30 120.604 120.604 121.041 -0.437 17958 742 1 4 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.012 0.185 17958 743 1 4 . 1 1 30 30 ALA C C 30 178.350 178.350 178.980 -0.630 17958 744 1 4 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.684 -0.841 17958 745 1 4 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.555 -0.722 17958 746 1 4 . 1 1 30 30 ALA H H 30 8.242 8.242 8.180 0.062 17958 747 1 4 . 1 1 31 31 ASN N N 31 114.606 114.606 116.948 -2.342 17958 748 1 4 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.625 0.133 17958 749 1 4 . 1 1 31 31 ASN C C 31 175.996 175.996 174.958 1.038 17958 750 1 4 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.121 0.218 17958 751 1 4 . 1 1 31 31 ASN CB C 31 39.096 39.096 37.427 1.669 17958 752 1 4 . 1 1 31 31 ASN H H 31 7.798 7.798 7.791 0.007 17958 753 1 4 . 1 1 32 32 GLY N N 32 106.804 106.804 109.789 -2.985 17958 754 1 4 . 1 1 32 32 GLY C C 32 174.824 174.824 173.944 0.880 17958 755 1 4 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.990 -0.088 17958 756 1 4 . 1 1 32 32 GLY H H 32 8.021 8.021 7.992 0.029 17958 757 1 4 . 1 1 33 33 GLY N N 33 107.126 107.126 109.592 -2.466 17958 758 1 4 . 1 1 33 33 GLY C C 33 173.800 173.800 175.197 -1.397 17958 759 1 4 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.563 -0.151 17958 760 1 4 . 1 1 33 33 GLY H H 33 8.156 8.156 7.964 0.192 17958 761 1 4 . 1 1 34 34 ASN N N 34 116.972 116.972 120.198 -3.226 17958 762 1 4 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.768 -0.029 17958 763 1 4 . 1 1 34 34 ASN C C 34 175.053 175.053 175.982 -0.929 17958 764 1 4 . 1 1 34 34 ASN CA C 34 53.170 53.170 54.112 -0.942 17958 765 1 4 . 1 1 34 34 ASN CB C 34 38.857 38.857 40.638 -1.780 17958 766 1 4 . 1 1 34 34 ASN H H 34 7.777 7.777 7.635 0.142 17958 767 1 4 . 1 1 35 35 GLY N N 35 106.758 106.758 108.878 -2.120 17958 768 1 4 . 1 1 35 35 GLY C C 35 173.201 173.201 173.031 0.170 17958 769 1 4 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.922 0.143 17958 770 1 4 . 1 1 35 35 GLY H H 35 7.875 7.875 7.522 0.353 17958 771 1 4 . 1 1 36 36 PHE N N 36 118.486 118.486 119.110 -0.624 17958 772 1 4 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.024 -0.444 17958 773 1 4 . 1 1 36 36 PHE C C 36 174.925 174.925 174.981 -0.056 17958 774 1 4 . 1 1 36 36 PHE CA C 36 57.975 57.975 55.714 2.261 17958 775 1 4 . 1 1 36 36 PHE CB C 36 39.542 39.542 40.132 -0.590 17958 776 1 4 . 1 1 36 36 PHE H H 36 7.537 7.537 7.494 0.043 17958 777 1 5 . 1 1 2 2 TYR N N 2 121.377 121.377 122.964 -1.587 17958 778 1 5 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.462 0.123 17958 779 1 5 . 1 1 2 2 TYR C C 2 174.972 174.972 176.223 -1.251 17958 780 1 5 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.071 1.048 17958 781 1 5 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.580 1.385 17958 782 1 5 . 1 1 2 2 TYR H H 2 8.202 8.202 8.170 0.032 17958 783 1 5 . 1 1 3 3 TYR N N 3 122.159 122.159 122.237 -0.078 17958 784 1 5 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.583 -0.061 17958 785 1 5 . 1 1 3 3 TYR C C 3 175.832 175.832 176.265 -0.433 17958 786 1 5 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.605 0.500 17958 787 1 5 . 1 1 3 3 TYR CB C 3 38.683 38.683 38.230 0.453 17958 788 1 5 . 1 1 3 3 TYR H H 3 7.680 7.680 7.836 -0.156 17958 789 1 5 . 1 1 4 4 GLY N N 4 106.493 106.493 110.454 -3.961 17958 790 1 5 . 1 1 4 4 GLY C C 4 173.959 173.959 174.672 -0.713 17958 791 1 5 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.441 1.292 17958 792 1 5 . 1 1 4 4 GLY H H 4 6.940 6.940 7.918 -0.978 17958 793 1 5 . 1 1 5 5 ASN N N 5 117.075 117.075 120.453 -3.378 17958 794 1 5 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.650 0.074 17958 795 1 5 . 1 1 5 5 ASN C C 5 176.312 176.312 174.994 1.318 17958 796 1 5 . 1 1 5 5 ASN CA C 5 54.293 54.293 52.877 1.416 17958 797 1 5 . 1 1 5 5 ASN CB C 5 38.349 38.349 36.870 1.479 17958 798 1 5 . 1 1 5 5 ASN H H 5 7.973 7.973 8.359 -0.386 17958 799 1 5 . 1 1 6 6 GLY N N 6 107.279 107.279 108.576 -1.297 17958 800 1 5 . 1 1 6 6 GLY C C 6 175.528 175.528 175.275 0.253 17958 801 1 5 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.802 1.721 17958 802 1 5 . 1 1 6 6 GLY H H 6 8.279 8.279 8.480 -0.201 17958 803 1 5 . 1 1 7 7 VAL N N 7 121.566 121.566 118.299 3.267 17958 804 1 5 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.663 0.179 17958 805 1 5 . 1 1 7 7 VAL C C 7 177.059 177.059 177.021 0.038 17958 806 1 5 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.973 0.621 17958 807 1 5 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.514 0.509 17958 808 1 5 . 1 1 7 7 VAL H H 7 7.835 7.835 7.254 0.581 17958 809 1 5 . 1 1 8 8 HIS N N 8 117.806 117.806 118.114 -0.308 17958 810 1 5 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.383 0.143 17958 811 1 5 . 1 1 8 8 HIS C C 8 176.479 176.479 177.415 -0.936 17958 812 1 5 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.849 -0.897 17958 813 1 5 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.630 -1.279 17958 814 1 5 . 1 1 8 8 HIS H H 8 8.093 8.093 8.015 0.078 17958 815 1 5 . 1 1 9 9 LEU N N 9 120.856 120.856 119.560 1.296 17958 816 1 5 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.065 0.169 17958 817 1 5 . 1 1 9 9 LEU C C 9 178.449 178.449 177.581 0.868 17958 818 1 5 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.270 0.511 17958 819 1 5 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.615 0.639 17958 820 1 5 . 1 1 9 9 LEU H H 9 8.255 8.255 8.214 0.041 17958 821 1 5 . 1 1 10 10 THR N N 10 113.948 113.948 115.484 -1.536 17958 822 1 5 . 1 1 10 10 THR HA H 10 4.194 4.194 3.936 0.258 17958 823 1 5 . 1 1 10 10 THR C C 10 175.671 175.671 176.311 -0.640 17958 824 1 5 . 1 1 10 10 THR CA C 10 65.157 65.157 66.854 -1.697 17958 825 1 5 . 1 1 10 10 THR CB C 10 69.850 69.850 68.710 1.140 17958 826 1 5 . 1 1 10 10 THR H H 10 8.008 8.008 7.315 0.693 17958 827 1 5 . 1 1 11 11 LYS N N 11 120.215 120.215 120.694 -0.479 17958 828 1 5 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.156 0.026 17958 829 1 5 . 1 1 11 11 LYS C C 11 178.448 178.448 179.071 -0.623 17958 830 1 5 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.717 0.387 17958 831 1 5 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.308 -0.143 17958 832 1 5 . 1 1 11 11 LYS H H 11 8.312 8.312 7.834 0.478 17958 833 1 5 . 1 1 12 12 SER N N 12 114.597 114.597 113.543 1.054 17958 834 1 5 . 1 1 12 12 SER HA H 12 4.318 4.318 4.291 0.027 17958 835 1 5 . 1 1 12 12 SER C C 12 175.635 175.635 174.591 1.044 17958 836 1 5 . 1 1 12 12 SER CA C 12 61.156 61.156 59.740 1.416 17958 837 1 5 . 1 1 12 12 SER CB C 12 63.074 63.074 63.885 -0.811 17958 838 1 5 . 1 1 12 12 SER H H 12 8.068 8.068 8.160 -0.092 17958 839 1 5 . 1 1 13 13 GLY N N 13 109.563 109.563 108.190 1.373 17958 840 1 5 . 1 1 13 13 GLY C C 13 175.776 175.776 174.269 1.507 17958 841 1 5 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.788 1.783 17958 842 1 5 . 1 1 13 13 GLY H H 13 8.216 8.216 7.366 0.850 17958 843 1 5 . 1 1 14 14 LEU N N 14 121.346 121.346 119.812 1.534 17958 844 1 5 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.120 0.192 17958 845 1 5 . 1 1 14 14 LEU C C 14 178.624 178.624 177.474 1.150 17958 846 1 5 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.657 -0.173 17958 847 1 5 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.413 0.648 17958 848 1 5 . 1 1 14 14 LEU H H 14 8.173 8.173 8.426 -0.253 17958 849 1 5 . 1 1 15 15 SER N N 15 113.795 113.795 116.166 -2.371 17958 850 1 5 . 1 1 15 15 SER HA H 15 4.385 4.385 4.242 0.143 17958 851 1 5 . 1 1 15 15 SER C C 15 175.964 175.964 176.366 -0.402 17958 852 1 5 . 1 1 15 15 SER CA C 15 61.201 61.201 61.358 -0.157 17958 853 1 5 . 1 1 15 15 SER CB C 15 63.397 63.397 62.654 0.743 17958 854 1 5 . 1 1 15 15 SER H H 15 7.945 7.945 8.362 -0.417 17958 855 1 5 . 1 1 16 16 VAL N N 16 121.965 121.965 121.446 0.519 17958 856 1 5 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.859 0.133 17958 857 1 5 . 1 1 16 16 VAL C C 16 177.176 177.176 177.241 -0.065 17958 858 1 5 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.146 1.273 17958 859 1 5 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.742 0.272 17958 860 1 5 . 1 1 16 16 VAL H H 16 7.913 7.913 7.799 0.114 17958 861 1 5 . 1 1 17 17 ASN N N 17 118.754 118.754 119.914 -1.160 17958 862 1 5 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.466 0.166 17958 863 1 5 . 1 1 17 17 ASN C C 17 176.930 176.930 177.135 -0.205 17958 864 1 5 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.524 -0.668 17958 865 1 5 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.366 0.269 17958 866 1 5 . 1 1 17 17 ASN H H 17 8.001 8.001 8.333 -0.332 17958 867 1 5 . 1 1 18 18 TRP N N 18 120.811 120.811 122.133 -1.322 17958 868 1 5 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.566 -0.091 17958 869 1 5 . 1 1 18 18 TRP C C 18 177.778 177.778 178.553 -0.775 17958 870 1 5 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.258 -0.621 17958 871 1 5 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.663 -0.823 17958 872 1 5 . 1 1 18 18 TRP H H 18 8.408 8.408 7.914 0.494 17958 873 1 5 . 1 1 19 19 GLY N N 19 105.598 105.598 106.631 -1.033 17958 874 1 5 . 1 1 19 19 GLY C C 19 177.037 177.037 175.901 1.136 17958 875 1 5 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.383 -0.170 17958 876 1 5 . 1 1 19 19 GLY H H 19 8.395 8.395 8.440 -0.045 17958 877 1 5 . 1 1 20 20 GLU N N 20 121.656 121.656 121.996 -0.340 17958 878 1 5 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.068 0.085 17958 879 1 5 . 1 1 20 20 GLU C C 20 177.792 177.792 178.784 -0.992 17958 880 1 5 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.460 -0.362 17958 881 1 5 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.699 -1.773 17958 882 1 5 . 1 1 20 20 GLU H H 20 8.345 8.345 7.883 0.462 17958 883 1 5 . 1 1 21 21 ALA N N 21 122.688 122.688 121.833 0.855 17958 884 1 5 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.086 0.020 17958 885 1 5 . 1 1 21 21 ALA C C 21 180.552 180.552 179.769 0.783 17958 886 1 5 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.843 0.488 17958 887 1 5 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.261 -0.808 17958 888 1 5 . 1 1 21 21 ALA H H 21 8.065 8.065 7.754 0.311 17958 889 1 5 . 1 1 22 22 PHE N N 22 119.865 119.865 119.335 0.530 17958 890 1 5 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.869 0.297 17958 891 1 5 . 1 1 22 22 PHE C C 22 177.877 177.877 177.043 0.834 17958 892 1 5 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.827 0.276 17958 893 1 5 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.131 -0.145 17958 894 1 5 . 1 1 22 22 PHE H H 22 8.856 8.856 8.231 0.625 17958 895 1 5 . 1 1 23 23 SER N N 23 113.333 113.333 115.402 -2.069 17958 896 1 5 . 1 1 23 23 SER HA H 23 4.112 4.112 4.021 0.091 17958 897 1 5 . 1 1 23 23 SER C C 23 177.301 177.301 176.820 0.481 17958 898 1 5 . 1 1 23 23 SER CA C 23 61.555 61.555 61.560 -0.005 17958 899 1 5 . 1 1 23 23 SER CB C 23 63.024 63.024 63.240 -0.216 17958 900 1 5 . 1 1 23 23 SER H H 23 8.238 8.238 7.998 0.240 17958 901 1 5 . 1 1 24 24 ALA N N 24 125.834 125.834 121.789 4.045 17958 902 1 5 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.095 0.062 17958 903 1 5 . 1 1 24 24 ALA C C 24 180.136 180.136 179.597 0.539 17958 904 1 5 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.576 0.995 17958 905 1 5 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.248 -0.829 17958 906 1 5 . 1 1 24 24 ALA H H 24 8.437 8.437 7.826 0.611 17958 907 1 5 . 1 1 25 25 GLY N N 25 106.183 106.183 105.408 0.775 17958 908 1 5 . 1 1 25 25 GLY C C 25 175.966 175.966 175.940 0.026 17958 909 1 5 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.619 0.485 17958 910 1 5 . 1 1 25 25 GLY H H 25 8.038 8.038 7.538 0.500 17958 911 1 5 . 1 1 26 26 VAL N N 26 120.836 120.836 121.913 -1.077 17958 912 1 5 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.474 0.174 17958 913 1 5 . 1 1 26 26 VAL C C 26 178.038 178.038 176.879 1.159 17958 914 1 5 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.447 0.122 17958 915 1 5 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.150 0.406 17958 916 1 5 . 1 1 26 26 VAL H H 26 8.093 8.093 7.398 0.695 17958 917 1 5 . 1 1 27 27 HIS N N 27 115.116 115.116 119.072 -3.956 17958 918 1 5 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.263 -0.041 17958 919 1 5 . 1 1 27 27 HIS C C 27 176.446 176.446 177.417 -0.971 17958 920 1 5 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.105 -0.402 17958 921 1 5 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.123 -2.628 17958 922 1 5 . 1 1 27 27 HIS H H 27 8.005 8.005 7.571 0.434 17958 923 1 5 . 1 1 28 28 ARG N N 28 119.021 119.021 119.330 -0.309 17958 924 1 5 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.077 0.068 17958 925 1 5 . 1 1 28 28 ARG C C 28 178.390 178.390 178.625 -0.235 17958 926 1 5 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.477 0.734 17958 927 1 5 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.696 -0.193 17958 928 1 5 . 1 1 28 28 ARG H H 28 8.090 8.090 7.555 0.535 17958 929 1 5 . 1 1 29 29 LEU N N 29 120.208 120.208 119.145 1.063 17958 930 1 5 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.961 0.196 17958 931 1 5 . 1 1 29 29 LEU C C 29 179.176 179.176 178.579 0.597 17958 932 1 5 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.436 0.010 17958 933 1 5 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.753 0.293 17958 934 1 5 . 1 1 29 29 LEU H H 29 8.057 8.057 7.795 0.262 17958 935 1 5 . 1 1 30 30 ALA N N 30 120.604 120.604 120.441 0.163 17958 936 1 5 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.003 0.194 17958 937 1 5 . 1 1 30 30 ALA C C 30 178.350 178.350 178.458 -0.108 17958 938 1 5 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.542 -0.699 17958 939 1 5 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.295 -0.462 17958 940 1 5 . 1 1 30 30 ALA H H 30 8.242 8.242 7.773 0.469 17958 941 1 5 . 1 1 31 31 ASN N N 31 114.606 114.606 115.744 -1.138 17958 942 1 5 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.611 0.147 17958 943 1 5 . 1 1 31 31 ASN C C 31 175.996 175.996 175.616 0.380 17958 944 1 5 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.156 0.183 17958 945 1 5 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.455 -0.359 17958 946 1 5 . 1 1 31 31 ASN H H 31 7.798 7.798 7.529 0.269 17958 947 1 5 . 1 1 32 32 GLY N N 32 106.804 106.804 107.922 -1.118 17958 948 1 5 . 1 1 32 32 GLY C C 32 174.824 174.824 173.848 0.976 17958 949 1 5 . 1 1 32 32 GLY CA C 32 45.902 45.902 44.545 1.357 17958 950 1 5 . 1 1 32 32 GLY H H 32 8.021 8.021 7.951 0.070 17958 951 1 5 . 1 1 33 33 GLY N N 33 107.126 107.126 110.884 -3.758 17958 952 1 5 . 1 1 33 33 GLY C C 33 173.800 173.800 173.572 0.228 17958 953 1 5 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.961 0.451 17958 954 1 5 . 1 1 33 33 GLY H H 33 8.156 8.156 8.488 -0.332 17958 955 1 5 . 1 1 34 34 ASN N N 34 116.972 116.972 119.939 -2.967 17958 956 1 5 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.783 -0.044 17958 957 1 5 . 1 1 34 34 ASN C C 34 175.053 175.053 174.923 0.130 17958 958 1 5 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.176 -0.006 17958 959 1 5 . 1 1 34 34 ASN CB C 34 38.857 38.857 41.345 -2.488 17958 960 1 5 . 1 1 34 34 ASN H H 34 7.777 7.777 7.661 0.116 17958 961 1 5 . 1 1 35 35 GLY N N 35 106.758 106.758 110.022 -3.264 17958 962 1 5 . 1 1 35 35 GLY C C 35 173.201 173.201 173.738 -0.537 17958 963 1 5 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.836 0.229 17958 964 1 5 . 1 1 35 35 GLY H H 35 7.875 7.875 8.552 -0.677 17958 965 1 5 . 1 1 36 36 PHE N N 36 118.486 118.486 124.648 -6.162 17958 966 1 5 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.836 -0.256 17958 967 1 5 . 1 1 36 36 PHE C C 36 174.925 174.925 175.705 -0.780 17958 968 1 5 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.029 0.945 17958 969 1 5 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.823 -0.281 17958 970 1 5 . 1 1 36 36 PHE H H 36 7.537 7.537 8.094 -0.557 17958 971 1 6 . 1 1 2 2 TYR N N 2 121.377 121.377 121.754 -0.377 17958 972 1 6 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.757 -0.172 17958 973 1 6 . 1 1 2 2 TYR C C 2 174.972 174.972 175.500 -0.528 17958 974 1 6 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.157 0.962 17958 975 1 6 . 1 1 2 2 TYR CB C 2 38.965 38.965 38.855 0.110 17958 976 1 6 . 1 1 2 2 TYR H H 2 8.202 8.202 7.804 0.398 17958 977 1 6 . 1 1 3 3 TYR N N 3 122.159 122.159 120.447 1.712 17958 978 1 6 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.746 -0.224 17958 979 1 6 . 1 1 3 3 TYR C C 3 175.832 175.832 177.145 -1.313 17958 980 1 6 . 1 1 3 3 TYR CA C 3 58.105 58.105 60.858 -2.753 17958 981 1 6 . 1 1 3 3 TYR CB C 3 38.683 38.683 38.940 -0.257 17958 982 1 6 . 1 1 3 3 TYR H H 3 7.680 7.680 9.150 -1.470 17958 983 1 6 . 1 1 4 4 GLY N N 4 106.493 106.493 106.680 -0.187 17958 984 1 6 . 1 1 4 4 GLY C C 4 173.959 173.959 175.390 -1.431 17958 985 1 6 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.413 0.320 17958 986 1 6 . 1 1 4 4 GLY H H 4 6.940 6.940 8.146 -1.206 17958 987 1 6 . 1 1 5 5 ASN N N 5 117.075 117.075 120.274 -3.199 17958 988 1 6 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.622 0.102 17958 989 1 6 . 1 1 5 5 ASN C C 5 176.312 176.312 176.417 -0.105 17958 990 1 6 . 1 1 5 5 ASN CA C 5 54.293 54.293 54.559 -0.267 17958 991 1 6 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.639 -0.290 17958 992 1 6 . 1 1 5 5 ASN H H 5 7.973 7.973 8.368 -0.395 17958 993 1 6 . 1 1 6 6 GLY N N 6 107.279 107.279 106.380 0.899 17958 994 1 6 . 1 1 6 6 GLY C C 6 175.528 175.528 175.479 0.049 17958 995 1 6 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.752 1.771 17958 996 1 6 . 1 1 6 6 GLY H H 6 8.279 8.279 8.214 0.065 17958 997 1 6 . 1 1 7 7 VAL N N 7 121.566 121.566 121.616 -0.050 17958 998 1 6 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.883 -0.041 17958 999 1 6 . 1 1 7 7 VAL C C 7 177.059 177.059 176.980 0.079 17958 1000 1 6 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.935 0.659 17958 1001 1 6 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.628 0.395 17958 1002 1 6 . 1 1 7 7 VAL H H 7 7.835 7.835 8.007 -0.172 17958 1003 1 6 . 1 1 8 8 HIS N N 8 117.806 117.806 118.589 -0.783 17958 1004 1 6 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.465 0.061 17958 1005 1 6 . 1 1 8 8 HIS C C 8 176.479 176.479 177.711 -1.232 17958 1006 1 6 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.028 -0.076 17958 1007 1 6 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.997 -1.646 17958 1008 1 6 . 1 1 8 8 HIS H H 8 8.093 8.093 8.313 -0.220 17958 1009 1 6 . 1 1 9 9 LEU N N 9 120.856 120.856 118.886 1.970 17958 1010 1 6 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.114 0.120 17958 1011 1 6 . 1 1 9 9 LEU C C 9 178.449 178.449 177.718 0.731 17958 1012 1 6 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.221 0.560 17958 1013 1 6 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.861 0.393 17958 1014 1 6 . 1 1 9 9 LEU H H 9 8.255 8.255 8.375 -0.120 17958 1015 1 6 . 1 1 10 10 THR N N 10 113.948 113.948 115.902 -1.954 17958 1016 1 6 . 1 1 10 10 THR HA H 10 4.194 4.194 3.984 0.210 17958 1017 1 6 . 1 1 10 10 THR C C 10 175.671 175.671 176.344 -0.673 17958 1018 1 6 . 1 1 10 10 THR CA C 10 65.157 65.157 66.903 -1.746 17958 1019 1 6 . 1 1 10 10 THR CB C 10 69.850 69.850 68.700 1.150 17958 1020 1 6 . 1 1 10 10 THR H H 10 8.008 8.008 7.339 0.669 17958 1021 1 6 . 1 1 11 11 LYS N N 11 120.215 120.215 120.731 -0.516 17958 1022 1 6 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.161 0.021 17958 1023 1 6 . 1 1 11 11 LYS C C 11 178.448 178.448 178.950 -0.502 17958 1024 1 6 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.692 0.412 17958 1025 1 6 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.366 -0.201 17958 1026 1 6 . 1 1 11 11 LYS H H 11 8.312 8.312 7.880 0.432 17958 1027 1 6 . 1 1 12 12 SER N N 12 114.597 114.597 113.700 0.897 17958 1028 1 6 . 1 1 12 12 SER HA H 12 4.318 4.318 4.246 0.072 17958 1029 1 6 . 1 1 12 12 SER C C 12 175.635 175.635 174.977 0.658 17958 1030 1 6 . 1 1 12 12 SER CA C 12 61.156 61.156 59.880 1.276 17958 1031 1 6 . 1 1 12 12 SER CB C 12 63.074 63.074 63.590 -0.516 17958 1032 1 6 . 1 1 12 12 SER H H 12 8.068 8.068 8.138 -0.070 17958 1033 1 6 . 1 1 13 13 GLY N N 13 109.563 109.563 108.263 1.300 17958 1034 1 6 . 1 1 13 13 GLY C C 13 175.776 175.776 174.198 1.578 17958 1035 1 6 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.707 1.864 17958 1036 1 6 . 1 1 13 13 GLY H H 13 8.216 8.216 7.395 0.821 17958 1037 1 6 . 1 1 14 14 LEU N N 14 121.346 121.346 119.601 1.745 17958 1038 1 6 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.183 0.129 17958 1039 1 6 . 1 1 14 14 LEU C C 14 178.624 178.624 177.697 0.927 17958 1040 1 6 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.771 -0.287 17958 1041 1 6 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.482 0.579 17958 1042 1 6 . 1 1 14 14 LEU H H 14 8.173 8.173 8.378 -0.205 17958 1043 1 6 . 1 1 15 15 SER N N 15 113.795 113.795 115.791 -1.996 17958 1044 1 6 . 1 1 15 15 SER HA H 15 4.385 4.385 4.161 0.224 17958 1045 1 6 . 1 1 15 15 SER C C 15 175.964 175.964 176.717 -0.753 17958 1046 1 6 . 1 1 15 15 SER CA C 15 61.201 61.201 60.852 0.349 17958 1047 1 6 . 1 1 15 15 SER CB C 15 63.397 63.397 62.653 0.744 17958 1048 1 6 . 1 1 15 15 SER H H 15 7.945 7.945 8.163 -0.218 17958 1049 1 6 . 1 1 16 16 VAL N N 16 121.965 121.965 122.361 -0.396 17958 1050 1 6 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.835 0.157 17958 1051 1 6 . 1 1 16 16 VAL C C 16 177.176 177.176 177.069 0.107 17958 1052 1 6 . 1 1 16 16 VAL CA C 16 65.419 65.419 63.952 1.467 17958 1053 1 6 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.597 0.417 17958 1054 1 6 . 1 1 16 16 VAL H H 16 7.913 7.913 7.557 0.356 17958 1055 1 6 . 1 1 17 17 ASN N N 17 118.754 118.754 118.608 0.146 17958 1056 1 6 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.454 0.178 17958 1057 1 6 . 1 1 17 17 ASN C C 17 176.930 176.930 176.696 0.234 17958 1058 1 6 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.755 -0.899 17958 1059 1 6 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.588 0.047 17958 1060 1 6 . 1 1 17 17 ASN H H 17 8.001 8.001 8.252 -0.251 17958 1061 1 6 . 1 1 18 18 TRP N N 18 120.811 120.811 122.217 -1.406 17958 1062 1 6 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.383 0.092 17958 1063 1 6 . 1 1 18 18 TRP C C 18 177.778 177.778 178.069 -0.291 17958 1064 1 6 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.618 0.019 17958 1065 1 6 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.616 -0.776 17958 1066 1 6 . 1 1 18 18 TRP H H 18 8.408 8.408 7.873 0.535 17958 1067 1 6 . 1 1 19 19 GLY N N 19 105.598 105.598 105.562 0.036 17958 1068 1 6 . 1 1 19 19 GLY C C 19 177.037 177.037 176.042 0.995 17958 1069 1 6 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.237 -0.024 17958 1070 1 6 . 1 1 19 19 GLY H H 19 8.395 8.395 8.025 0.370 17958 1071 1 6 . 1 1 20 20 GLU N N 20 121.656 121.656 121.978 -0.322 17958 1072 1 6 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.061 0.092 17958 1073 1 6 . 1 1 20 20 GLU C C 20 177.792 177.792 178.940 -1.148 17958 1074 1 6 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.017 0.081 17958 1075 1 6 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.730 -1.804 17958 1076 1 6 . 1 1 20 20 GLU H H 20 8.345 8.345 7.608 0.737 17958 1077 1 6 . 1 1 21 21 ALA N N 21 122.688 122.688 122.670 0.018 17958 1078 1 6 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.030 0.076 17958 1079 1 6 . 1 1 21 21 ALA C C 21 180.552 180.552 179.433 1.119 17958 1080 1 6 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.785 0.545 17958 1081 1 6 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.191 -0.738 17958 1082 1 6 . 1 1 21 21 ALA H H 21 8.065 8.065 8.045 0.020 17958 1083 1 6 . 1 1 22 22 PHE N N 22 119.865 119.865 119.003 0.862 17958 1084 1 6 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.851 0.315 17958 1085 1 6 . 1 1 22 22 PHE C C 22 177.877 177.877 177.493 0.384 17958 1086 1 6 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.635 -0.532 17958 1087 1 6 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.045 -0.059 17958 1088 1 6 . 1 1 22 22 PHE H H 22 8.856 8.856 8.630 0.226 17958 1089 1 6 . 1 1 23 23 SER N N 23 113.333 113.333 114.446 -1.113 17958 1090 1 6 . 1 1 23 23 SER HA H 23 4.112 4.112 4.022 0.090 17958 1091 1 6 . 1 1 23 23 SER C C 23 177.301 177.301 176.720 0.581 17958 1092 1 6 . 1 1 23 23 SER CA C 23 61.555 61.555 61.980 -0.425 17958 1093 1 6 . 1 1 23 23 SER CB C 23 63.024 63.024 62.801 0.223 17958 1094 1 6 . 1 1 23 23 SER H H 23 8.238 8.238 7.902 0.336 17958 1095 1 6 . 1 1 24 24 ALA N N 24 125.834 125.834 122.412 3.422 17958 1096 1 6 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.132 0.025 17958 1097 1 6 . 1 1 24 24 ALA C C 24 180.136 180.136 179.679 0.457 17958 1098 1 6 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.586 0.985 17958 1099 1 6 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.260 -0.840 17958 1100 1 6 . 1 1 24 24 ALA H H 24 8.437 8.437 7.603 0.834 17958 1101 1 6 . 1 1 25 25 GLY N N 25 106.183 106.183 106.687 -0.504 17958 1102 1 6 . 1 1 25 25 GLY C C 25 175.966 175.966 176.000 -0.034 17958 1103 1 6 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.513 0.591 17958 1104 1 6 . 1 1 25 25 GLY H H 25 8.038 8.038 7.750 0.288 17958 1105 1 6 . 1 1 26 26 VAL N N 26 120.836 120.836 122.936 -2.100 17958 1106 1 6 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.493 0.155 17958 1107 1 6 . 1 1 26 26 VAL C C 26 178.038 178.038 177.652 0.386 17958 1108 1 6 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.595 -0.026 17958 1109 1 6 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.215 0.341 17958 1110 1 6 . 1 1 26 26 VAL H H 26 8.093 8.093 7.573 0.520 17958 1111 1 6 . 1 1 27 27 HIS N N 27 115.116 115.116 118.785 -3.669 17958 1112 1 6 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.279 -0.057 17958 1113 1 6 . 1 1 27 27 HIS C C 27 176.446 176.446 177.365 -0.919 17958 1114 1 6 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.511 0.192 17958 1115 1 6 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.897 -2.402 17958 1116 1 6 . 1 1 27 27 HIS H H 27 8.005 8.005 7.859 0.146 17958 1117 1 6 . 1 1 28 28 ARG N N 28 119.021 119.021 119.184 -0.163 17958 1118 1 6 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.939 0.206 17958 1119 1 6 . 1 1 28 28 ARG C C 28 178.390 178.390 178.841 -0.451 17958 1120 1 6 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.279 0.932 17958 1121 1 6 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.730 -0.227 17958 1122 1 6 . 1 1 28 28 ARG H H 28 8.090 8.090 7.460 0.630 17958 1123 1 6 . 1 1 29 29 LEU N N 29 120.208 120.208 118.229 1.979 17958 1124 1 6 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.059 0.098 17958 1125 1 6 . 1 1 29 29 LEU C C 29 179.176 179.176 178.189 0.987 17958 1126 1 6 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.268 0.178 17958 1127 1 6 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.864 0.182 17958 1128 1 6 . 1 1 29 29 LEU H H 29 8.057 8.057 7.984 0.073 17958 1129 1 6 . 1 1 30 30 ALA N N 30 120.604 120.604 120.691 -0.087 17958 1130 1 6 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.059 0.138 17958 1131 1 6 . 1 1 30 30 ALA C C 30 178.350 178.350 177.897 0.453 17958 1132 1 6 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.301 -0.458 17958 1133 1 6 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.716 -0.883 17958 1134 1 6 . 1 1 30 30 ALA H H 30 8.242 8.242 7.511 0.731 17958 1135 1 6 . 1 1 31 31 ASN N N 31 114.606 114.606 117.980 -3.374 17958 1136 1 6 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.568 0.190 17958 1137 1 6 . 1 1 31 31 ASN C C 31 175.996 175.996 175.291 0.705 17958 1138 1 6 . 1 1 31 31 ASN CA C 31 53.339 53.339 52.486 0.853 17958 1139 1 6 . 1 1 31 31 ASN CB C 31 39.096 39.096 37.115 1.981 17958 1140 1 6 . 1 1 31 31 ASN H H 31 7.798 7.798 7.524 0.274 17958 1141 1 6 . 1 1 32 32 GLY N N 32 106.804 106.804 111.777 -4.973 17958 1142 1 6 . 1 1 32 32 GLY C C 32 174.824 174.824 173.765 1.059 17958 1143 1 6 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.439 0.463 17958 1144 1 6 . 1 1 32 32 GLY H H 32 8.021 8.021 7.896 0.125 17958 1145 1 6 . 1 1 33 33 GLY N N 33 107.126 107.126 107.182 -0.056 17958 1146 1 6 . 1 1 33 33 GLY C C 33 173.800 173.800 172.743 1.057 17958 1147 1 6 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.660 0.752 17958 1148 1 6 . 1 1 33 33 GLY H H 33 8.156 8.156 7.875 0.281 17958 1149 1 6 . 1 1 34 34 ASN N N 34 116.972 116.972 119.370 -2.398 17958 1150 1 6 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.607 0.132 17958 1151 1 6 . 1 1 34 34 ASN C C 34 175.053 175.053 174.753 0.300 17958 1152 1 6 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.507 0.663 17958 1153 1 6 . 1 1 34 34 ASN CB C 34 38.857 38.857 38.920 -0.063 17958 1154 1 6 . 1 1 34 34 ASN H H 34 7.777 7.777 7.879 -0.102 17958 1155 1 6 . 1 1 35 35 GLY N N 35 106.758 106.758 108.124 -1.366 17958 1156 1 6 . 1 1 35 35 GLY C C 35 173.201 173.201 172.142 1.059 17958 1157 1 6 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.037 1.028 17958 1158 1 6 . 1 1 35 35 GLY H H 35 7.875 7.875 7.671 0.204 17958 1159 1 6 . 1 1 36 36 PHE N N 36 118.486 118.486 118.375 0.111 17958 1160 1 6 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.234 -0.654 17958 1161 1 6 . 1 1 36 36 PHE C C 36 174.925 174.925 174.633 0.292 17958 1162 1 6 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.479 0.496 17958 1163 1 6 . 1 1 36 36 PHE CB C 36 39.542 39.542 41.252 -1.710 17958 1164 1 6 . 1 1 36 36 PHE H H 36 7.537 7.537 8.275 -0.738 17958 1165 1 7 . 1 1 2 2 TYR N N 2 121.377 121.377 121.656 -0.279 17958 1166 1 7 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.641 -0.056 17958 1167 1 7 . 1 1 2 2 TYR C C 2 174.972 174.972 175.230 -0.258 17958 1168 1 7 . 1 1 2 2 TYR CA C 2 58.119 58.119 56.485 1.634 17958 1169 1 7 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.057 1.908 17958 1170 1 7 . 1 1 2 2 TYR H H 2 8.202 8.202 7.976 0.226 17958 1171 1 7 . 1 1 3 3 TYR N N 3 122.159 122.159 125.765 -3.606 17958 1172 1 7 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.529 -0.007 17958 1173 1 7 . 1 1 3 3 TYR C C 3 175.832 175.832 175.535 0.297 17958 1174 1 7 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.722 0.383 17958 1175 1 7 . 1 1 3 3 TYR CB C 3 38.683 38.683 37.284 1.399 17958 1176 1 7 . 1 1 3 3 TYR H H 3 7.680 7.680 8.462 -0.782 17958 1177 1 7 . 1 1 4 4 GLY N N 4 106.493 106.493 110.390 -3.897 17958 1178 1 7 . 1 1 4 4 GLY C C 4 173.959 173.959 173.566 0.393 17958 1179 1 7 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.050 0.683 17958 1180 1 7 . 1 1 4 4 GLY H H 4 6.940 6.940 7.516 -0.576 17958 1181 1 7 . 1 1 5 5 ASN N N 5 117.075 117.075 118.560 -1.485 17958 1182 1 7 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.635 0.089 17958 1183 1 7 . 1 1 5 5 ASN C C 5 176.312 176.312 176.029 0.283 17958 1184 1 7 . 1 1 5 5 ASN CA C 5 54.293 54.293 54.038 0.255 17958 1185 1 7 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.870 -0.521 17958 1186 1 7 . 1 1 5 5 ASN H H 5 7.973 7.973 8.562 -0.589 17958 1187 1 7 . 1 1 6 6 GLY N N 6 107.279 107.279 105.523 1.756 17958 1188 1 7 . 1 1 6 6 GLY C C 6 175.528 175.528 175.277 0.251 17958 1189 1 7 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.875 1.648 17958 1190 1 7 . 1 1 6 6 GLY H H 6 8.279 8.279 7.994 0.285 17958 1191 1 7 . 1 1 7 7 VAL N N 7 121.566 121.566 119.773 1.793 17958 1192 1 7 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.993 -0.151 17958 1193 1 7 . 1 1 7 7 VAL C C 7 177.059 177.059 176.809 0.250 17958 1194 1 7 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.373 1.221 17958 1195 1 7 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.615 0.408 17958 1196 1 7 . 1 1 7 7 VAL H H 7 7.835 7.835 8.056 -0.221 17958 1197 1 7 . 1 1 8 8 HIS N N 8 117.806 117.806 119.597 -1.791 17958 1198 1 7 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.495 0.031 17958 1199 1 7 . 1 1 8 8 HIS C C 8 176.479 176.479 177.623 -1.144 17958 1200 1 7 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.249 -0.297 17958 1201 1 7 . 1 1 8 8 HIS CB C 8 28.351 28.351 30.183 -1.832 17958 1202 1 7 . 1 1 8 8 HIS H H 8 8.093 8.093 8.273 -0.180 17958 1203 1 7 . 1 1 9 9 LEU N N 9 120.856 120.856 118.620 2.236 17958 1204 1 7 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.000 0.234 17958 1205 1 7 . 1 1 9 9 LEU C C 9 178.449 178.449 177.712 0.737 17958 1206 1 7 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.092 0.689 17958 1207 1 7 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.753 0.501 17958 1208 1 7 . 1 1 9 9 LEU H H 9 8.255 8.255 8.333 -0.078 17958 1209 1 7 . 1 1 10 10 THR N N 10 113.948 113.948 116.321 -2.373 17958 1210 1 7 . 1 1 10 10 THR HA H 10 4.194 4.194 3.970 0.224 17958 1211 1 7 . 1 1 10 10 THR C C 10 175.671 175.671 176.307 -0.636 17958 1212 1 7 . 1 1 10 10 THR CA C 10 65.157 65.157 66.951 -1.794 17958 1213 1 7 . 1 1 10 10 THR CB C 10 69.850 69.850 68.715 1.135 17958 1214 1 7 . 1 1 10 10 THR H H 10 8.008 8.008 7.379 0.629 17958 1215 1 7 . 1 1 11 11 LYS N N 11 120.215 120.215 120.724 -0.509 17958 1216 1 7 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.182 -0.000 17958 1217 1 7 . 1 1 11 11 LYS C C 11 178.448 178.448 179.235 -0.787 17958 1218 1 7 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.419 0.685 17958 1219 1 7 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.019 0.146 17958 1220 1 7 . 1 1 11 11 LYS H H 11 8.312 8.312 7.878 0.434 17958 1221 1 7 . 1 1 12 12 SER N N 12 114.597 114.597 113.236 1.361 17958 1222 1 7 . 1 1 12 12 SER HA H 12 4.318 4.318 4.280 0.038 17958 1223 1 7 . 1 1 12 12 SER C C 12 175.635 175.635 175.182 0.453 17958 1224 1 7 . 1 1 12 12 SER CA C 12 61.156 61.156 60.555 0.601 17958 1225 1 7 . 1 1 12 12 SER CB C 12 63.074 63.074 63.782 -0.708 17958 1226 1 7 . 1 1 12 12 SER H H 12 8.068 8.068 8.213 -0.145 17958 1227 1 7 . 1 1 13 13 GLY N N 13 109.563 109.563 108.200 1.363 17958 1228 1 7 . 1 1 13 13 GLY C C 13 175.776 175.776 174.369 1.407 17958 1229 1 7 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.775 1.796 17958 1230 1 7 . 1 1 13 13 GLY H H 13 8.216 8.216 7.351 0.865 17958 1231 1 7 . 1 1 14 14 LEU N N 14 121.346 121.346 119.277 2.069 17958 1232 1 7 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.128 0.184 17958 1233 1 7 . 1 1 14 14 LEU C C 14 178.624 178.624 177.679 0.945 17958 1234 1 7 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.612 -0.128 17958 1235 1 7 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.475 0.586 17958 1236 1 7 . 1 1 14 14 LEU H H 14 8.173 8.173 8.392 -0.219 17958 1237 1 7 . 1 1 15 15 SER N N 15 113.795 113.795 116.213 -2.418 17958 1238 1 7 . 1 1 15 15 SER HA H 15 4.385 4.385 4.221 0.164 17958 1239 1 7 . 1 1 15 15 SER C C 15 175.964 175.964 176.494 -0.530 17958 1240 1 7 . 1 1 15 15 SER CA C 15 61.201 61.201 61.002 0.199 17958 1241 1 7 . 1 1 15 15 SER CB C 15 63.397 63.397 62.453 0.944 17958 1242 1 7 . 1 1 15 15 SER H H 15 7.945 7.945 8.320 -0.375 17958 1243 1 7 . 1 1 16 16 VAL N N 16 121.965 121.965 121.688 0.277 17958 1244 1 7 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.859 0.133 17958 1245 1 7 . 1 1 16 16 VAL C C 16 177.176 177.176 176.868 0.308 17958 1246 1 7 . 1 1 16 16 VAL CA C 16 65.419 65.419 63.834 1.585 17958 1247 1 7 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.742 0.272 17958 1248 1 7 . 1 1 16 16 VAL H H 16 7.913 7.913 7.888 0.025 17958 1249 1 7 . 1 1 17 17 ASN N N 17 118.754 118.754 118.869 -0.115 17958 1250 1 7 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.343 0.289 17958 1251 1 7 . 1 1 17 17 ASN C C 17 176.930 176.930 176.927 0.003 17958 1252 1 7 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.468 -0.612 17958 1253 1 7 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.508 0.127 17958 1254 1 7 . 1 1 17 17 ASN H H 17 8.001 8.001 8.161 -0.160 17958 1255 1 7 . 1 1 18 18 TRP N N 18 120.811 120.811 122.329 -1.518 17958 1256 1 7 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.316 0.159 17958 1257 1 7 . 1 1 18 18 TRP C C 18 177.778 177.778 178.150 -0.372 17958 1258 1 7 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.699 -1.062 17958 1259 1 7 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.206 -0.366 17958 1260 1 7 . 1 1 18 18 TRP H H 18 8.408 8.408 7.827 0.581 17958 1261 1 7 . 1 1 19 19 GLY N N 19 105.598 105.598 105.357 0.241 17958 1262 1 7 . 1 1 19 19 GLY C C 19 177.037 177.037 176.236 0.801 17958 1263 1 7 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.244 -0.031 17958 1264 1 7 . 1 1 19 19 GLY H H 19 8.395 8.395 8.020 0.375 17958 1265 1 7 . 1 1 20 20 GLU N N 20 121.656 121.656 121.750 -0.094 17958 1266 1 7 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.100 0.053 17958 1267 1 7 . 1 1 20 20 GLU C C 20 177.792 177.792 178.937 -1.145 17958 1268 1 7 . 1 1 20 20 GLU CA C 20 59.098 59.098 58.702 0.396 17958 1269 1 7 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.334 -1.408 17958 1270 1 7 . 1 1 20 20 GLU H H 20 8.345 8.345 7.461 0.884 17958 1271 1 7 . 1 1 21 21 ALA N N 21 122.688 122.688 122.528 0.160 17958 1272 1 7 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.055 0.051 17958 1273 1 7 . 1 1 21 21 ALA C C 21 180.552 180.552 179.517 1.035 17958 1274 1 7 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.815 0.515 17958 1275 1 7 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.266 -0.813 17958 1276 1 7 . 1 1 21 21 ALA H H 21 8.065 8.065 8.196 -0.131 17958 1277 1 7 . 1 1 22 22 PHE N N 22 119.865 119.865 118.998 0.867 17958 1278 1 7 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.775 0.391 17958 1279 1 7 . 1 1 22 22 PHE C C 22 177.877 177.877 177.118 0.759 17958 1280 1 7 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.560 -0.457 17958 1281 1 7 . 1 1 22 22 PHE CB C 22 38.986 38.986 38.690 0.297 17958 1282 1 7 . 1 1 22 22 PHE H H 22 8.856 8.856 8.607 0.249 17958 1283 1 7 . 1 1 23 23 SER N N 23 113.333 113.333 114.432 -1.099 17958 1284 1 7 . 1 1 23 23 SER HA H 23 4.112 4.112 3.870 0.242 17958 1285 1 7 . 1 1 23 23 SER C C 23 177.301 177.301 176.350 0.951 17958 1286 1 7 . 1 1 23 23 SER CA C 23 61.555 61.555 61.922 -0.367 17958 1287 1 7 . 1 1 23 23 SER CB C 23 63.024 63.024 62.912 0.112 17958 1288 1 7 . 1 1 23 23 SER H H 23 8.238 8.238 7.728 0.510 17958 1289 1 7 . 1 1 24 24 ALA N N 24 125.834 125.834 123.014 2.820 17958 1290 1 7 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.086 0.071 17958 1291 1 7 . 1 1 24 24 ALA C C 24 180.136 180.136 179.378 0.758 17958 1292 1 7 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.875 0.696 17958 1293 1 7 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.256 -0.836 17958 1294 1 7 . 1 1 24 24 ALA H H 24 8.437 8.437 7.275 1.162 17958 1295 1 7 . 1 1 25 25 GLY N N 25 106.183 106.183 107.276 -1.093 17958 1296 1 7 . 1 1 25 25 GLY C C 25 175.966 175.966 176.019 -0.053 17958 1297 1 7 . 1 1 25 25 GLY CA C 25 47.104 47.104 47.064 0.040 17958 1298 1 7 . 1 1 25 25 GLY H H 25 8.038 8.038 7.696 0.342 17958 1299 1 7 . 1 1 26 26 VAL N N 26 120.836 120.836 122.526 -1.690 17958 1300 1 7 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.384 0.264 17958 1301 1 7 . 1 1 26 26 VAL C C 26 178.038 178.038 178.210 -0.172 17958 1302 1 7 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.562 0.007 17958 1303 1 7 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.002 0.554 17958 1304 1 7 . 1 1 26 26 VAL H H 26 8.093 8.093 7.370 0.723 17958 1305 1 7 . 1 1 27 27 HIS N N 27 115.116 115.116 118.474 -3.358 17958 1306 1 7 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.287 -0.065 17958 1307 1 7 . 1 1 27 27 HIS C C 27 176.446 176.446 177.874 -1.428 17958 1308 1 7 . 1 1 27 27 HIS CA C 27 59.703 59.703 58.948 0.755 17958 1309 1 7 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.269 -1.774 17958 1310 1 7 . 1 1 27 27 HIS H H 27 8.005 8.005 7.448 0.557 17958 1311 1 7 . 1 1 28 28 ARG N N 28 119.021 119.021 120.363 -1.342 17958 1312 1 7 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.122 0.023 17958 1313 1 7 . 1 1 28 28 ARG C C 28 178.390 178.390 178.442 -0.052 17958 1314 1 7 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.246 0.965 17958 1315 1 7 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.599 -0.096 17958 1316 1 7 . 1 1 28 28 ARG H H 28 8.090 8.090 7.800 0.290 17958 1317 1 7 . 1 1 29 29 LEU N N 29 120.208 120.208 118.200 2.008 17958 1318 1 7 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.065 0.092 17958 1319 1 7 . 1 1 29 29 LEU C C 29 179.176 179.176 178.721 0.455 17958 1320 1 7 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.290 0.156 17958 1321 1 7 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.759 0.287 17958 1322 1 7 . 1 1 29 29 LEU H H 29 8.057 8.057 8.113 -0.056 17958 1323 1 7 . 1 1 30 30 ALA N N 30 120.604 120.604 120.840 -0.236 17958 1324 1 7 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.114 0.083 17958 1325 1 7 . 1 1 30 30 ALA C C 30 178.350 178.350 177.954 0.396 17958 1326 1 7 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.367 -0.524 17958 1327 1 7 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.611 -0.778 17958 1328 1 7 . 1 1 30 30 ALA H H 30 8.242 8.242 7.890 0.352 17958 1329 1 7 . 1 1 31 31 ASN N N 31 114.606 114.606 117.060 -2.454 17958 1330 1 7 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.705 0.053 17958 1331 1 7 . 1 1 31 31 ASN C C 31 175.996 175.996 175.921 0.075 17958 1332 1 7 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.497 -0.158 17958 1333 1 7 . 1 1 31 31 ASN CB C 31 39.096 39.096 40.099 -1.003 17958 1334 1 7 . 1 1 31 31 ASN H H 31 7.798 7.798 7.743 0.055 17958 1335 1 7 . 1 1 32 32 GLY N N 32 106.804 106.804 108.165 -1.361 17958 1336 1 7 . 1 1 32 32 GLY C C 32 174.824 174.824 172.768 2.056 17958 1337 1 7 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.264 0.638 17958 1338 1 7 . 1 1 32 32 GLY H H 32 8.021 8.021 7.998 0.023 17958 1339 1 7 . 1 1 33 33 GLY N N 33 107.126 107.126 109.641 -2.515 17958 1340 1 7 . 1 1 33 33 GLY C C 33 173.800 173.800 174.321 -0.521 17958 1341 1 7 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.431 0.981 17958 1342 1 7 . 1 1 33 33 GLY H H 33 8.156 8.156 8.276 -0.120 17958 1343 1 7 . 1 1 34 34 ASN N N 34 116.972 116.972 123.778 -6.806 17958 1344 1 7 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.800 -0.061 17958 1345 1 7 . 1 1 34 34 ASN C C 34 175.053 175.053 175.142 -0.089 17958 1346 1 7 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.173 -0.003 17958 1347 1 7 . 1 1 34 34 ASN CB C 34 38.857 38.857 38.565 0.292 17958 1348 1 7 . 1 1 34 34 ASN H H 34 7.777 7.777 8.567 -0.790 17958 1349 1 7 . 1 1 35 35 GLY N N 35 106.758 106.758 109.919 -3.161 17958 1350 1 7 . 1 1 35 35 GLY C C 35 173.201 173.201 173.394 -0.193 17958 1351 1 7 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.895 0.170 17958 1352 1 7 . 1 1 35 35 GLY H H 35 7.875 7.875 8.055 -0.180 17958 1353 1 7 . 1 1 36 36 PHE N N 36 118.486 118.486 119.222 -0.736 17958 1354 1 7 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.102 -0.522 17958 1355 1 7 . 1 1 36 36 PHE C C 36 174.925 174.925 176.748 -1.823 17958 1356 1 7 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.915 0.060 17958 1357 1 7 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.976 -0.434 17958 1358 1 7 . 1 1 36 36 PHE H H 36 7.537 7.537 8.733 -1.196 17958 1359 1 8 . 1 1 2 2 TYR N N 2 121.377 121.377 119.803 1.574 17958 1360 1 8 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.431 0.154 17958 1361 1 8 . 1 1 2 2 TYR C C 2 174.972 174.972 174.899 0.073 17958 1362 1 8 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.767 0.352 17958 1363 1 8 . 1 1 2 2 TYR CB C 2 38.965 38.965 39.972 -1.007 17958 1364 1 8 . 1 1 2 2 TYR H H 2 8.202 8.202 8.386 -0.184 17958 1365 1 8 . 1 1 3 3 TYR N N 3 122.159 122.159 119.577 2.582 17958 1366 1 8 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.240 0.282 17958 1367 1 8 . 1 1 3 3 TYR C C 3 175.832 175.832 176.010 -0.178 17958 1368 1 8 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.621 0.484 17958 1369 1 8 . 1 1 3 3 TYR CB C 3 38.683 38.683 36.580 2.103 17958 1370 1 8 . 1 1 3 3 TYR H H 3 7.680 7.680 8.397 -0.717 17958 1371 1 8 . 1 1 4 4 GLY N N 4 106.493 106.493 108.377 -1.884 17958 1372 1 8 . 1 1 4 4 GLY C C 4 173.959 173.959 175.257 -1.298 17958 1373 1 8 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.590 1.143 17958 1374 1 8 . 1 1 4 4 GLY H H 4 6.940 6.940 8.112 -1.172 17958 1375 1 8 . 1 1 5 5 ASN N N 5 117.075 117.075 118.183 -1.108 17958 1376 1 8 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.559 0.165 17958 1377 1 8 . 1 1 5 5 ASN C C 5 176.312 176.312 177.249 -0.937 17958 1378 1 8 . 1 1 5 5 ASN CA C 5 54.293 54.293 54.235 0.058 17958 1379 1 8 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.442 -0.093 17958 1380 1 8 . 1 1 5 5 ASN H H 5 7.973 7.973 8.403 -0.430 17958 1381 1 8 . 1 1 6 6 GLY N N 6 107.279 107.279 106.482 0.797 17958 1382 1 8 . 1 1 6 6 GLY C C 6 175.528 175.528 175.558 -0.030 17958 1383 1 8 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.617 0.906 17958 1384 1 8 . 1 1 6 6 GLY H H 6 8.279 8.279 8.388 -0.109 17958 1385 1 8 . 1 1 7 7 VAL N N 7 121.566 121.566 117.463 4.103 17958 1386 1 8 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.954 -0.112 17958 1387 1 8 . 1 1 7 7 VAL C C 7 177.059 177.059 177.050 0.009 17958 1388 1 8 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.650 0.944 17958 1389 1 8 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.756 0.267 17958 1390 1 8 . 1 1 7 7 VAL H H 7 7.835 7.835 7.788 0.047 17958 1391 1 8 . 1 1 8 8 HIS N N 8 117.806 117.806 119.465 -1.659 17958 1392 1 8 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.518 0.008 17958 1393 1 8 . 1 1 8 8 HIS C C 8 176.479 176.479 177.666 -1.187 17958 1394 1 8 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.217 -1.265 17958 1395 1 8 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.865 -1.514 17958 1396 1 8 . 1 1 8 8 HIS H H 8 8.093 8.093 8.344 -0.251 17958 1397 1 8 . 1 1 9 9 LEU N N 9 120.856 120.856 118.680 2.176 17958 1398 1 8 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.230 0.004 17958 1399 1 8 . 1 1 9 9 LEU C C 9 178.449 178.449 177.917 0.532 17958 1400 1 8 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.274 0.507 17958 1401 1 8 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.806 0.448 17958 1402 1 8 . 1 1 9 9 LEU H H 9 8.255 8.255 8.373 -0.118 17958 1403 1 8 . 1 1 10 10 THR N N 10 113.948 113.948 115.657 -1.709 17958 1404 1 8 . 1 1 10 10 THR HA H 10 4.194 4.194 3.981 0.213 17958 1405 1 8 . 1 1 10 10 THR C C 10 175.671 175.671 176.381 -0.710 17958 1406 1 8 . 1 1 10 10 THR CA C 10 65.157 65.157 66.810 -1.653 17958 1407 1 8 . 1 1 10 10 THR CB C 10 69.850 69.850 68.674 1.176 17958 1408 1 8 . 1 1 10 10 THR H H 10 8.008 8.008 7.255 0.753 17958 1409 1 8 . 1 1 11 11 LYS N N 11 120.215 120.215 120.710 -0.495 17958 1410 1 8 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.098 0.084 17958 1411 1 8 . 1 1 11 11 LYS C C 11 178.448 178.448 178.919 -0.471 17958 1412 1 8 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.516 0.588 17958 1413 1 8 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.116 0.049 17958 1414 1 8 . 1 1 11 11 LYS H H 11 8.312 8.312 7.661 0.651 17958 1415 1 8 . 1 1 12 12 SER N N 12 114.597 114.597 113.624 0.973 17958 1416 1 8 . 1 1 12 12 SER HA H 12 4.318 4.318 4.196 0.122 17958 1417 1 8 . 1 1 12 12 SER C C 12 175.635 175.635 174.688 0.947 17958 1418 1 8 . 1 1 12 12 SER CA C 12 61.156 61.156 59.326 1.830 17958 1419 1 8 . 1 1 12 12 SER CB C 12 63.074 63.074 63.779 -0.705 17958 1420 1 8 . 1 1 12 12 SER H H 12 8.068 8.068 8.037 0.031 17958 1421 1 8 . 1 1 13 13 GLY N N 13 109.563 109.563 108.381 1.182 17958 1422 1 8 . 1 1 13 13 GLY C C 13 175.776 175.776 174.241 1.535 17958 1423 1 8 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.672 1.899 17958 1424 1 8 . 1 1 13 13 GLY H H 13 8.216 8.216 7.390 0.826 17958 1425 1 8 . 1 1 14 14 LEU N N 14 121.346 121.346 119.801 1.545 17958 1426 1 8 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.178 0.134 17958 1427 1 8 . 1 1 14 14 LEU C C 14 178.624 178.624 177.568 1.056 17958 1428 1 8 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.697 -0.213 17958 1429 1 8 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.492 0.569 17958 1430 1 8 . 1 1 14 14 LEU H H 14 8.173 8.173 8.364 -0.191 17958 1431 1 8 . 1 1 15 15 SER N N 15 113.795 113.795 115.714 -1.919 17958 1432 1 8 . 1 1 15 15 SER HA H 15 4.385 4.385 4.221 0.164 17958 1433 1 8 . 1 1 15 15 SER C C 15 175.964 175.964 176.666 -0.702 17958 1434 1 8 . 1 1 15 15 SER CA C 15 61.201 61.201 61.324 -0.123 17958 1435 1 8 . 1 1 15 15 SER CB C 15 63.397 63.397 63.068 0.329 17958 1436 1 8 . 1 1 15 15 SER H H 15 7.945 7.945 8.255 -0.310 17958 1437 1 8 . 1 1 16 16 VAL N N 16 121.965 121.965 121.718 0.247 17958 1438 1 8 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.895 0.097 17958 1439 1 8 . 1 1 16 16 VAL C C 16 177.176 177.176 177.022 0.154 17958 1440 1 8 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.344 1.075 17958 1441 1 8 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.325 0.689 17958 1442 1 8 . 1 1 16 16 VAL H H 16 7.913 7.913 7.612 0.301 17958 1443 1 8 . 1 1 17 17 ASN N N 17 118.754 118.754 119.398 -0.644 17958 1444 1 8 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.491 0.141 17958 1445 1 8 . 1 1 17 17 ASN C C 17 176.930 176.930 177.077 -0.147 17958 1446 1 8 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.798 -0.942 17958 1447 1 8 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.733 -0.098 17958 1448 1 8 . 1 1 17 17 ASN H H 17 8.001 8.001 8.261 -0.260 17958 1449 1 8 . 1 1 18 18 TRP N N 18 120.811 120.811 122.414 -1.603 17958 1450 1 8 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.389 0.086 17958 1451 1 8 . 1 1 18 18 TRP C C 18 177.778 177.778 178.289 -0.511 17958 1452 1 8 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.100 -0.463 17958 1453 1 8 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.438 -0.598 17958 1454 1 8 . 1 1 18 18 TRP H H 18 8.408 8.408 7.894 0.514 17958 1455 1 8 . 1 1 19 19 GLY N N 19 105.598 105.598 106.125 -0.527 17958 1456 1 8 . 1 1 19 19 GLY C C 19 177.037 177.037 176.191 0.846 17958 1457 1 8 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.362 -0.149 17958 1458 1 8 . 1 1 19 19 GLY H H 19 8.395 8.395 7.902 0.493 17958 1459 1 8 . 1 1 20 20 GLU N N 20 121.656 121.656 122.078 -0.422 17958 1460 1 8 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.100 0.053 17958 1461 1 8 . 1 1 20 20 GLU C C 20 177.792 177.792 179.129 -1.337 17958 1462 1 8 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.069 0.029 17958 1463 1 8 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.463 -1.537 17958 1464 1 8 . 1 1 20 20 GLU H H 20 8.345 8.345 7.987 0.358 17958 1465 1 8 . 1 1 21 21 ALA N N 21 122.688 122.688 121.997 0.691 17958 1466 1 8 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.082 0.024 17958 1467 1 8 . 1 1 21 21 ALA C C 21 180.552 180.552 179.613 0.939 17958 1468 1 8 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.828 0.502 17958 1469 1 8 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.156 -0.703 17958 1470 1 8 . 1 1 21 21 ALA H H 21 8.065 8.065 8.431 -0.366 17958 1471 1 8 . 1 1 22 22 PHE N N 22 119.865 119.865 119.781 0.084 17958 1472 1 8 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.061 0.105 17958 1473 1 8 . 1 1 22 22 PHE C C 22 177.877 177.877 177.292 0.585 17958 1474 1 8 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.733 0.371 17958 1475 1 8 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.218 -0.232 17958 1476 1 8 . 1 1 22 22 PHE H H 22 8.856 8.856 7.982 0.874 17958 1477 1 8 . 1 1 23 23 SER N N 23 113.333 113.333 114.978 -1.645 17958 1478 1 8 . 1 1 23 23 SER HA H 23 4.112 4.112 3.915 0.197 17958 1479 1 8 . 1 1 23 23 SER C C 23 177.301 177.301 176.721 0.580 17958 1480 1 8 . 1 1 23 23 SER CA C 23 61.555 61.555 61.931 -0.376 17958 1481 1 8 . 1 1 23 23 SER CB C 23 63.024 63.024 63.022 0.002 17958 1482 1 8 . 1 1 23 23 SER H H 23 8.238 8.238 7.982 0.256 17958 1483 1 8 . 1 1 24 24 ALA N N 24 125.834 125.834 124.760 1.074 17958 1484 1 8 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.033 0.124 17958 1485 1 8 . 1 1 24 24 ALA C C 24 180.136 180.136 179.557 0.579 17958 1486 1 8 . 1 1 24 24 ALA CA C 24 55.571 55.571 55.055 0.516 17958 1487 1 8 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.198 -0.777 17958 1488 1 8 . 1 1 24 24 ALA H H 24 8.437 8.437 7.757 0.680 17958 1489 1 8 . 1 1 25 25 GLY N N 25 106.183 106.183 106.533 -0.350 17958 1490 1 8 . 1 1 25 25 GLY C C 25 175.966 175.966 176.161 -0.195 17958 1491 1 8 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.966 0.138 17958 1492 1 8 . 1 1 25 25 GLY H H 25 8.038 8.038 7.604 0.434 17958 1493 1 8 . 1 1 26 26 VAL N N 26 120.836 120.836 122.507 -1.671 17958 1494 1 8 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.412 0.236 17958 1495 1 8 . 1 1 26 26 VAL C C 26 178.038 178.038 177.420 0.618 17958 1496 1 8 . 1 1 26 26 VAL CA C 26 66.569 66.569 67.085 -0.516 17958 1497 1 8 . 1 1 26 26 VAL CB C 26 31.556 31.556 30.962 0.594 17958 1498 1 8 . 1 1 26 26 VAL H H 26 8.093 8.093 7.354 0.739 17958 1499 1 8 . 1 1 27 27 HIS N N 27 115.116 115.116 119.492 -4.376 17958 1500 1 8 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.136 0.086 17958 1501 1 8 . 1 1 27 27 HIS C C 27 176.446 176.446 177.376 -0.930 17958 1502 1 8 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.309 0.394 17958 1503 1 8 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.147 -2.652 17958 1504 1 8 . 1 1 27 27 HIS H H 27 8.005 8.005 7.996 0.009 17958 1505 1 8 . 1 1 28 28 ARG N N 28 119.021 119.021 119.601 -0.580 17958 1506 1 8 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.002 0.143 17958 1507 1 8 . 1 1 28 28 ARG C C 28 178.390 178.390 178.238 0.152 17958 1508 1 8 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.117 1.094 17958 1509 1 8 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.569 -0.066 17958 1510 1 8 . 1 1 28 28 ARG H H 28 8.090 8.090 7.538 0.552 17958 1511 1 8 . 1 1 29 29 LEU N N 29 120.208 120.208 119.112 1.096 17958 1512 1 8 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.956 0.201 17958 1513 1 8 . 1 1 29 29 LEU C C 29 179.176 179.176 178.868 0.308 17958 1514 1 8 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.847 -0.401 17958 1515 1 8 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.849 0.197 17958 1516 1 8 . 1 1 29 29 LEU H H 29 8.057 8.057 8.107 -0.050 17958 1517 1 8 . 1 1 30 30 ALA N N 30 120.604 120.604 120.243 0.361 17958 1518 1 8 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.037 0.160 17958 1519 1 8 . 1 1 30 30 ALA C C 30 178.350 178.350 178.581 -0.231 17958 1520 1 8 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.531 -0.688 17958 1521 1 8 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.831 -0.998 17958 1522 1 8 . 1 1 30 30 ALA H H 30 8.242 8.242 7.989 0.253 17958 1523 1 8 . 1 1 31 31 ASN N N 31 114.606 114.606 117.996 -3.390 17958 1524 1 8 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.627 0.131 17958 1525 1 8 . 1 1 31 31 ASN C C 31 175.996 175.996 174.987 1.009 17958 1526 1 8 . 1 1 31 31 ASN CA C 31 53.339 53.339 52.533 0.806 17958 1527 1 8 . 1 1 31 31 ASN CB C 31 39.096 39.096 36.931 2.165 17958 1528 1 8 . 1 1 31 31 ASN H H 31 7.798 7.798 7.942 -0.144 17958 1529 1 8 . 1 1 32 32 GLY N N 32 106.804 106.804 109.933 -3.129 17958 1530 1 8 . 1 1 32 32 GLY C C 32 174.824 174.824 174.539 0.285 17958 1531 1 8 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.205 0.697 17958 1532 1 8 . 1 1 32 32 GLY H H 32 8.021 8.021 7.927 0.094 17958 1533 1 8 . 1 1 33 33 GLY N N 33 107.126 107.126 110.218 -3.092 17958 1534 1 8 . 1 1 33 33 GLY C C 33 173.800 173.800 174.097 -0.297 17958 1535 1 8 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.654 0.758 17958 1536 1 8 . 1 1 33 33 GLY H H 33 8.156 8.156 7.965 0.191 17958 1537 1 8 . 1 1 34 34 ASN N N 34 116.972 116.972 121.421 -4.449 17958 1538 1 8 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.768 -0.029 17958 1539 1 8 . 1 1 34 34 ASN C C 34 175.053 175.053 176.093 -1.040 17958 1540 1 8 . 1 1 34 34 ASN CA C 34 53.170 53.170 54.254 -1.084 17958 1541 1 8 . 1 1 34 34 ASN CB C 34 38.857 38.857 39.237 -0.380 17958 1542 1 8 . 1 1 34 34 ASN H H 34 7.777 7.777 7.908 -0.131 17958 1543 1 8 . 1 1 35 35 GLY N N 35 106.758 106.758 107.452 -0.694 17958 1544 1 8 . 1 1 35 35 GLY C C 35 173.201 173.201 173.145 0.056 17958 1545 1 8 . 1 1 35 35 GLY CA C 35 45.065 45.065 45.162 -0.097 17958 1546 1 8 . 1 1 35 35 GLY H H 35 7.875 7.875 8.217 -0.342 17958 1547 1 8 . 1 1 36 36 PHE N N 36 118.486 118.486 117.037 1.449 17958 1548 1 8 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.175 -0.595 17958 1549 1 8 . 1 1 36 36 PHE C C 36 174.925 174.925 174.971 -0.046 17958 1550 1 8 . 1 1 36 36 PHE CA C 36 57.975 57.975 56.307 1.668 17958 1551 1 8 . 1 1 36 36 PHE CB C 36 39.542 39.542 40.313 -0.771 17958 1552 1 8 . 1 1 36 36 PHE H H 36 7.537 7.537 7.393 0.144 17958 1553 1 9 . 1 1 2 2 TYR N N 2 121.377 121.377 123.150 -1.773 17958 1554 1 9 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.568 0.017 17958 1555 1 9 . 1 1 2 2 TYR C C 2 174.972 174.972 173.997 0.975 17958 1556 1 9 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.553 0.566 17958 1557 1 9 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.553 1.412 17958 1558 1 9 . 1 1 2 2 TYR H H 2 8.202 8.202 8.040 0.162 17958 1559 1 9 . 1 1 3 3 TYR N N 3 122.159 122.159 124.432 -2.273 17958 1560 1 9 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.377 0.145 17958 1561 1 9 . 1 1 3 3 TYR C C 3 175.832 175.832 175.088 0.744 17958 1562 1 9 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.476 0.629 17958 1563 1 9 . 1 1 3 3 TYR CB C 3 38.683 38.683 40.093 -1.411 17958 1564 1 9 . 1 1 3 3 TYR H H 3 7.680 7.680 8.093 -0.413 17958 1565 1 9 . 1 1 4 4 GLY N N 4 106.493 106.493 113.303 -6.810 17958 1566 1 9 . 1 1 4 4 GLY C C 4 173.959 173.959 173.515 0.444 17958 1567 1 9 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.198 0.535 17958 1568 1 9 . 1 1 4 4 GLY H H 4 6.940 6.940 7.774 -0.834 17958 1569 1 9 . 1 1 5 5 ASN N N 5 117.075 117.075 118.991 -1.916 17958 1570 1 9 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.605 0.119 17958 1571 1 9 . 1 1 5 5 ASN C C 5 176.312 176.312 176.230 0.082 17958 1572 1 9 . 1 1 5 5 ASN CA C 5 54.293 54.293 54.250 0.043 17958 1573 1 9 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.869 -0.520 17958 1574 1 9 . 1 1 5 5 ASN H H 5 7.973 7.973 8.888 -0.915 17958 1575 1 9 . 1 1 6 6 GLY N N 6 107.279 107.279 105.876 1.403 17958 1576 1 9 . 1 1 6 6 GLY C C 6 175.528 175.528 175.155 0.373 17958 1577 1 9 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.802 1.721 17958 1578 1 9 . 1 1 6 6 GLY H H 6 8.279 8.279 8.018 0.261 17958 1579 1 9 . 1 1 7 7 VAL N N 7 121.566 121.566 117.774 3.792 17958 1580 1 9 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.894 -0.052 17958 1581 1 9 . 1 1 7 7 VAL C C 7 177.059 177.059 176.314 0.745 17958 1582 1 9 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.444 1.150 17958 1583 1 9 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.595 0.428 17958 1584 1 9 . 1 1 7 7 VAL H H 7 7.835 7.835 8.009 -0.174 17958 1585 1 9 . 1 1 8 8 HIS N N 8 117.806 117.806 118.583 -0.777 17958 1586 1 9 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.494 0.032 17958 1587 1 9 . 1 1 8 8 HIS C C 8 176.479 176.479 178.004 -1.525 17958 1588 1 9 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.785 -0.833 17958 1589 1 9 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.503 -1.152 17958 1590 1 9 . 1 1 8 8 HIS H H 8 8.093 8.093 8.399 -0.306 17958 1591 1 9 . 1 1 9 9 LEU N N 9 120.856 120.856 119.631 1.225 17958 1592 1 9 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.167 0.067 17958 1593 1 9 . 1 1 9 9 LEU C C 9 178.449 178.449 178.136 0.313 17958 1594 1 9 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.582 0.199 17958 1595 1 9 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.637 0.617 17958 1596 1 9 . 1 1 9 9 LEU H H 9 8.255 8.255 8.299 -0.044 17958 1597 1 9 . 1 1 10 10 THR N N 10 113.948 113.948 115.453 -1.505 17958 1598 1 9 . 1 1 10 10 THR HA H 10 4.194 4.194 4.001 0.193 17958 1599 1 9 . 1 1 10 10 THR C C 10 175.671 175.671 176.319 -0.648 17958 1600 1 9 . 1 1 10 10 THR CA C 10 65.157 65.157 66.844 -1.687 17958 1601 1 9 . 1 1 10 10 THR CB C 10 69.850 69.850 68.757 1.093 17958 1602 1 9 . 1 1 10 10 THR H H 10 8.008 8.008 7.321 0.687 17958 1603 1 9 . 1 1 11 11 LYS N N 11 120.215 120.215 120.217 -0.002 17958 1604 1 9 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.194 -0.012 17958 1605 1 9 . 1 1 11 11 LYS C C 11 178.448 178.448 179.046 -0.598 17958 1606 1 9 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.344 0.759 17958 1607 1 9 . 1 1 11 11 LYS CB C 11 32.165 32.165 31.999 0.166 17958 1608 1 9 . 1 1 11 11 LYS H H 11 8.312 8.312 7.794 0.518 17958 1609 1 9 . 1 1 12 12 SER N N 12 114.597 114.597 113.754 0.843 17958 1610 1 9 . 1 1 12 12 SER HA H 12 4.318 4.318 4.327 -0.009 17958 1611 1 9 . 1 1 12 12 SER C C 12 175.635 175.635 174.773 0.862 17958 1612 1 9 . 1 1 12 12 SER CA C 12 61.156 61.156 59.722 1.434 17958 1613 1 9 . 1 1 12 12 SER CB C 12 63.074 63.074 64.005 -0.931 17958 1614 1 9 . 1 1 12 12 SER H H 12 8.068 8.068 8.203 -0.135 17958 1615 1 9 . 1 1 13 13 GLY N N 13 109.563 109.563 108.552 1.011 17958 1616 1 9 . 1 1 13 13 GLY C C 13 175.776 175.776 174.313 1.463 17958 1617 1 9 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.710 1.861 17958 1618 1 9 . 1 1 13 13 GLY H H 13 8.216 8.216 7.452 0.764 17958 1619 1 9 . 1 1 14 14 LEU N N 14 121.346 121.346 118.736 2.610 17958 1620 1 9 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.243 0.069 17958 1621 1 9 . 1 1 14 14 LEU C C 14 178.624 178.624 177.653 0.971 17958 1622 1 9 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.727 -0.243 17958 1623 1 9 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.628 0.433 17958 1624 1 9 . 1 1 14 14 LEU H H 14 8.173 8.173 8.382 -0.209 17958 1625 1 9 . 1 1 15 15 SER N N 15 113.795 113.795 116.186 -2.391 17958 1626 1 9 . 1 1 15 15 SER HA H 15 4.385 4.385 4.260 0.125 17958 1627 1 9 . 1 1 15 15 SER C C 15 175.964 175.964 176.581 -0.617 17958 1628 1 9 . 1 1 15 15 SER CA C 15 61.201 61.201 61.624 -0.423 17958 1629 1 9 . 1 1 15 15 SER CB C 15 63.397 63.397 62.138 1.260 17958 1630 1 9 . 1 1 15 15 SER H H 15 7.945 7.945 8.327 -0.382 17958 1631 1 9 . 1 1 16 16 VAL N N 16 121.965 121.965 122.252 -0.287 17958 1632 1 9 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.948 0.044 17958 1633 1 9 . 1 1 16 16 VAL C C 16 177.176 177.176 177.123 0.053 17958 1634 1 9 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.348 1.071 17958 1635 1 9 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.511 0.503 17958 1636 1 9 . 1 1 16 16 VAL H H 16 7.913 7.913 7.578 0.335 17958 1637 1 9 . 1 1 17 17 ASN N N 17 118.754 118.754 119.225 -0.471 17958 1638 1 9 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.535 0.097 17958 1639 1 9 . 1 1 17 17 ASN C C 17 176.930 176.930 177.177 -0.247 17958 1640 1 9 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.797 -0.941 17958 1641 1 9 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.819 -0.184 17958 1642 1 9 . 1 1 17 17 ASN H H 17 8.001 8.001 8.204 -0.203 17958 1643 1 9 . 1 1 18 18 TRP N N 18 120.811 120.811 122.288 -1.477 17958 1644 1 9 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.377 0.098 17958 1645 1 9 . 1 1 18 18 TRP C C 18 177.778 177.778 178.225 -0.447 17958 1646 1 9 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.704 -1.067 17958 1647 1 9 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.566 -0.726 17958 1648 1 9 . 1 1 18 18 TRP H H 18 8.408 8.408 8.060 0.348 17958 1649 1 9 . 1 1 19 19 GLY N N 19 105.598 105.598 105.830 -0.232 17958 1650 1 9 . 1 1 19 19 GLY C C 19 177.037 177.037 176.350 0.687 17958 1651 1 9 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.484 -0.271 17958 1652 1 9 . 1 1 19 19 GLY H H 19 8.395 8.395 8.146 0.249 17958 1653 1 9 . 1 1 20 20 GLU N N 20 121.656 121.656 121.753 -0.097 17958 1654 1 9 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.085 0.068 17958 1655 1 9 . 1 1 20 20 GLU C C 20 177.792 177.792 178.815 -1.023 17958 1656 1 9 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.240 -0.142 17958 1657 1 9 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.520 -1.593 17958 1658 1 9 . 1 1 20 20 GLU H H 20 8.345 8.345 7.673 0.672 17958 1659 1 9 . 1 1 21 21 ALA N N 21 122.688 122.688 122.474 0.214 17958 1660 1 9 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.071 0.035 17958 1661 1 9 . 1 1 21 21 ALA C C 21 180.552 180.552 179.560 0.992 17958 1662 1 9 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.830 0.501 17958 1663 1 9 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.246 -0.793 17958 1664 1 9 . 1 1 21 21 ALA H H 21 8.065 8.065 7.808 0.257 17958 1665 1 9 . 1 1 22 22 PHE N N 22 119.865 119.865 118.626 1.239 17958 1666 1 9 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.843 0.323 17958 1667 1 9 . 1 1 22 22 PHE C C 22 177.877 177.877 177.312 0.565 17958 1668 1 9 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.125 -0.022 17958 1669 1 9 . 1 1 22 22 PHE CB C 22 38.986 38.986 38.755 0.231 17958 1670 1 9 . 1 1 22 22 PHE H H 22 8.856 8.856 8.369 0.487 17958 1671 1 9 . 1 1 23 23 SER N N 23 113.333 113.333 115.012 -1.679 17958 1672 1 9 . 1 1 23 23 SER HA H 23 4.112 4.112 3.972 0.140 17958 1673 1 9 . 1 1 23 23 SER C C 23 177.301 177.301 176.512 0.789 17958 1674 1 9 . 1 1 23 23 SER CA C 23 61.555 61.555 61.709 -0.154 17958 1675 1 9 . 1 1 23 23 SER CB C 23 63.024 63.024 63.142 -0.117 17958 1676 1 9 . 1 1 23 23 SER H H 23 8.238 8.238 7.815 0.423 17958 1677 1 9 . 1 1 24 24 ALA N N 24 125.834 125.834 123.569 2.265 17958 1678 1 9 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.002 0.155 17958 1679 1 9 . 1 1 24 24 ALA C C 24 180.136 180.136 179.506 0.630 17958 1680 1 9 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.651 0.920 17958 1681 1 9 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.310 -0.890 17958 1682 1 9 . 1 1 24 24 ALA H H 24 8.437 8.437 7.312 1.125 17958 1683 1 9 . 1 1 25 25 GLY N N 25 106.183 106.183 105.390 0.793 17958 1684 1 9 . 1 1 25 25 GLY C C 25 175.966 175.966 175.869 0.097 17958 1685 1 9 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.903 0.201 17958 1686 1 9 . 1 1 25 25 GLY H H 25 8.038 8.038 7.687 0.351 17958 1687 1 9 . 1 1 26 26 VAL N N 26 120.836 120.836 121.833 -0.997 17958 1688 1 9 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.478 0.170 17958 1689 1 9 . 1 1 26 26 VAL C C 26 178.038 178.038 177.057 0.981 17958 1690 1 9 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.495 0.074 17958 1691 1 9 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.206 0.350 17958 1692 1 9 . 1 1 26 26 VAL H H 26 8.093 8.093 7.269 0.824 17958 1693 1 9 . 1 1 27 27 HIS N N 27 115.116 115.116 119.441 -4.325 17958 1694 1 9 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.203 0.019 17958 1695 1 9 . 1 1 27 27 HIS C C 27 176.446 176.446 177.376 -0.930 17958 1696 1 9 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.038 0.665 17958 1697 1 9 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.051 -2.556 17958 1698 1 9 . 1 1 27 27 HIS H H 27 8.005 8.005 7.713 0.292 17958 1699 1 9 . 1 1 28 28 ARG N N 28 119.021 119.021 119.446 -0.425 17958 1700 1 9 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.854 0.291 17958 1701 1 9 . 1 1 28 28 ARG C C 28 178.390 178.390 178.538 -0.148 17958 1702 1 9 . 1 1 28 28 ARG CA C 28 59.211 59.211 59.121 0.090 17958 1703 1 9 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.971 -0.468 17958 1704 1 9 . 1 1 28 28 ARG H H 28 8.090 8.090 7.398 0.692 17958 1705 1 9 . 1 1 29 29 LEU N N 29 120.208 120.208 118.824 1.384 17958 1706 1 9 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.016 0.141 17958 1707 1 9 . 1 1 29 29 LEU C C 29 179.176 179.176 178.008 1.168 17958 1708 1 9 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.518 -0.072 17958 1709 1 9 . 1 1 29 29 LEU CB C 29 42.046 42.046 42.035 0.011 17958 1710 1 9 . 1 1 29 29 LEU H H 29 8.057 8.057 8.027 0.030 17958 1711 1 9 . 1 1 30 30 ALA N N 30 120.604 120.604 119.625 0.979 17958 1712 1 9 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.076 0.121 17958 1713 1 9 . 1 1 30 30 ALA C C 30 178.350 178.350 178.476 -0.126 17958 1714 1 9 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.465 -0.622 17958 1715 1 9 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.949 -1.116 17958 1716 1 9 . 1 1 30 30 ALA H H 30 8.242 8.242 7.712 0.530 17958 1717 1 9 . 1 1 31 31 ASN N N 31 114.606 114.606 115.924 -1.318 17958 1718 1 9 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.723 0.035 17958 1719 1 9 . 1 1 31 31 ASN C C 31 175.996 175.996 175.991 0.005 17958 1720 1 9 . 1 1 31 31 ASN CA C 31 53.339 53.339 54.982 -1.643 17958 1721 1 9 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.089 0.007 17958 1722 1 9 . 1 1 31 31 ASN H H 31 7.798 7.798 7.547 0.251 17958 1723 1 9 . 1 1 32 32 GLY N N 32 106.804 106.804 107.893 -1.089 17958 1724 1 9 . 1 1 32 32 GLY C C 32 174.824 174.824 174.108 0.716 17958 1725 1 9 . 1 1 32 32 GLY CA C 32 45.902 45.902 44.550 1.352 17958 1726 1 9 . 1 1 32 32 GLY H H 32 8.021 8.021 7.954 0.067 17958 1727 1 9 . 1 1 33 33 GLY N N 33 107.126 107.126 107.747 -0.621 17958 1728 1 9 . 1 1 33 33 GLY C C 33 173.800 173.800 173.019 0.781 17958 1729 1 9 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.559 0.853 17958 1730 1 9 . 1 1 33 33 GLY H H 33 8.156 8.156 8.155 0.001 17958 1731 1 9 . 1 1 34 34 ASN N N 34 116.972 116.972 119.053 -2.081 17958 1732 1 9 . 1 1 34 34 ASN HA H 34 4.739 4.739 5.091 -0.352 17958 1733 1 9 . 1 1 34 34 ASN C C 34 175.053 175.053 174.822 0.231 17958 1734 1 9 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.233 0.936 17958 1735 1 9 . 1 1 34 34 ASN CB C 34 38.857 38.857 40.102 -1.245 17958 1736 1 9 . 1 1 34 34 ASN H H 34 7.777 7.777 8.340 -0.563 17958 1737 1 9 . 1 1 35 35 GLY N N 35 106.758 106.758 108.115 -1.357 17958 1738 1 9 . 1 1 35 35 GLY C C 35 173.201 173.201 173.863 -0.662 17958 1739 1 9 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.669 0.397 17958 1740 1 9 . 1 1 35 35 GLY H H 35 7.875 7.875 8.217 -0.342 17958 1741 1 9 . 1 1 36 36 PHE N N 36 118.486 118.486 123.710 -5.224 17958 1742 1 9 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.094 -0.514 17958 1743 1 9 . 1 1 36 36 PHE C C 36 174.925 174.925 176.893 -1.968 17958 1744 1 9 . 1 1 36 36 PHE CA C 36 57.975 57.975 58.874 -0.899 17958 1745 1 9 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.291 0.251 17958 1746 1 9 . 1 1 36 36 PHE H H 36 7.537 7.537 8.957 -1.420 17958 1747 1 10 . 1 1 2 2 TYR N N 2 121.377 121.377 120.566 0.811 17958 1748 1 10 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.680 -0.095 17958 1749 1 10 . 1 1 2 2 TYR C C 2 174.972 174.972 174.096 0.876 17958 1750 1 10 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.403 0.716 17958 1751 1 10 . 1 1 2 2 TYR CB C 2 38.965 38.965 40.110 -1.145 17958 1752 1 10 . 1 1 2 2 TYR H H 2 8.202 8.202 8.207 -0.005 17958 1753 1 10 . 1 1 3 3 TYR N N 3 122.159 122.159 127.528 -5.369 17958 1754 1 10 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.565 -0.043 17958 1755 1 10 . 1 1 3 3 TYR C C 3 175.832 175.832 175.306 0.526 17958 1756 1 10 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.494 0.611 17958 1757 1 10 . 1 1 3 3 TYR CB C 3 38.683 38.683 37.998 0.685 17958 1758 1 10 . 1 1 3 3 TYR H H 3 7.680 7.680 8.353 -0.673 17958 1759 1 10 . 1 1 4 4 GLY N N 4 106.493 106.493 112.620 -6.127 17958 1760 1 10 . 1 1 4 4 GLY C C 4 173.959 173.959 173.872 0.087 17958 1761 1 10 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.495 1.238 17958 1762 1 10 . 1 1 4 4 GLY H H 4 6.940 6.940 7.772 -0.832 17958 1763 1 10 . 1 1 5 5 ASN N N 5 117.075 117.075 119.743 -2.668 17958 1764 1 10 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.728 -0.004 17958 1765 1 10 . 1 1 5 5 ASN C C 5 176.312 176.312 175.615 0.697 17958 1766 1 10 . 1 1 5 5 ASN CA C 5 54.293 54.293 52.961 1.332 17958 1767 1 10 . 1 1 5 5 ASN CB C 5 38.349 38.349 37.019 1.330 17958 1768 1 10 . 1 1 5 5 ASN H H 5 7.973 7.973 8.413 -0.440 17958 1769 1 10 . 1 1 6 6 GLY N N 6 107.279 107.279 108.975 -1.696 17958 1770 1 10 . 1 1 6 6 GLY C C 6 175.528 175.528 175.340 0.188 17958 1771 1 10 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.257 1.266 17958 1772 1 10 . 1 1 6 6 GLY H H 6 8.279 8.279 8.263 0.016 17958 1773 1 10 . 1 1 7 7 VAL N N 7 121.566 121.566 120.641 0.925 17958 1774 1 10 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.846 -0.004 17958 1775 1 10 . 1 1 7 7 VAL C C 7 177.059 177.059 177.025 0.034 17958 1776 1 10 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.738 0.856 17958 1777 1 10 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.096 0.927 17958 1778 1 10 . 1 1 7 7 VAL H H 7 7.835 7.835 7.998 -0.163 17958 1779 1 10 . 1 1 8 8 HIS N N 8 117.806 117.806 119.592 -1.786 17958 1780 1 10 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.421 0.105 17958 1781 1 10 . 1 1 8 8 HIS C C 8 176.479 176.479 177.502 -1.023 17958 1782 1 10 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.157 -0.205 17958 1783 1 10 . 1 1 8 8 HIS CB C 8 28.351 28.351 30.078 -1.727 17958 1784 1 10 . 1 1 8 8 HIS H H 8 8.093 8.093 8.183 -0.090 17958 1785 1 10 . 1 1 9 9 LEU N N 9 120.856 120.856 118.120 2.736 17958 1786 1 10 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.073 0.161 17958 1787 1 10 . 1 1 9 9 LEU C C 9 178.449 178.449 178.122 0.327 17958 1788 1 10 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.359 0.422 17958 1789 1 10 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.850 0.404 17958 1790 1 10 . 1 1 9 9 LEU H H 9 8.255 8.255 8.324 -0.069 17958 1791 1 10 . 1 1 10 10 THR N N 10 113.948 113.948 115.788 -1.840 17958 1792 1 10 . 1 1 10 10 THR HA H 10 4.194 4.194 3.985 0.209 17958 1793 1 10 . 1 1 10 10 THR C C 10 175.671 175.671 176.327 -0.656 17958 1794 1 10 . 1 1 10 10 THR CA C 10 65.157 65.157 67.174 -2.017 17958 1795 1 10 . 1 1 10 10 THR CB C 10 69.850 69.850 68.657 1.193 17958 1796 1 10 . 1 1 10 10 THR H H 10 8.008 8.008 7.388 0.620 17958 1797 1 10 . 1 1 11 11 LYS N N 11 120.215 120.215 120.786 -0.571 17958 1798 1 10 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.148 0.034 17958 1799 1 10 . 1 1 11 11 LYS C C 11 178.448 178.448 179.090 -0.642 17958 1800 1 10 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.637 0.467 17958 1801 1 10 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.488 -0.323 17958 1802 1 10 . 1 1 11 11 LYS H H 11 8.312 8.312 7.888 0.424 17958 1803 1 10 . 1 1 12 12 SER N N 12 114.597 114.597 113.721 0.876 17958 1804 1 10 . 1 1 12 12 SER HA H 12 4.318 4.318 4.328 -0.010 17958 1805 1 10 . 1 1 12 12 SER C C 12 175.635 175.635 175.299 0.336 17958 1806 1 10 . 1 1 12 12 SER CA C 12 61.156 61.156 60.800 0.356 17958 1807 1 10 . 1 1 12 12 SER CB C 12 63.074 63.074 64.144 -1.070 17958 1808 1 10 . 1 1 12 12 SER H H 12 8.068 8.068 8.276 -0.208 17958 1809 1 10 . 1 1 13 13 GLY N N 13 109.563 109.563 107.544 2.019 17958 1810 1 10 . 1 1 13 13 GLY C C 13 175.776 175.776 173.935 1.841 17958 1811 1 10 . 1 1 13 13 GLY CA C 13 46.571 46.571 45.377 1.194 17958 1812 1 10 . 1 1 13 13 GLY H H 13 8.216 8.216 7.762 0.454 17958 1813 1 10 . 1 1 14 14 LEU N N 14 121.346 121.346 120.145 1.201 17958 1814 1 10 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.163 0.149 17958 1815 1 10 . 1 1 14 14 LEU C C 14 178.624 178.624 177.573 1.051 17958 1816 1 10 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.850 -0.366 17958 1817 1 10 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.574 0.487 17958 1818 1 10 . 1 1 14 14 LEU H H 14 8.173 8.173 7.937 0.236 17958 1819 1 10 . 1 1 15 15 SER N N 15 113.795 113.795 115.623 -1.828 17958 1820 1 10 . 1 1 15 15 SER HA H 15 4.385 4.385 4.248 0.137 17958 1821 1 10 . 1 1 15 15 SER C C 15 175.964 175.964 176.726 -0.762 17958 1822 1 10 . 1 1 15 15 SER CA C 15 61.201 61.201 61.139 0.062 17958 1823 1 10 . 1 1 15 15 SER CB C 15 63.397 63.397 63.090 0.307 17958 1824 1 10 . 1 1 15 15 SER H H 15 7.945 7.945 8.217 -0.272 17958 1825 1 10 . 1 1 16 16 VAL N N 16 121.965 121.965 119.992 1.973 17958 1826 1 10 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.833 0.159 17958 1827 1 10 . 1 1 16 16 VAL C C 16 177.176 177.176 176.626 0.550 17958 1828 1 10 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.650 0.769 17958 1829 1 10 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.814 0.200 17958 1830 1 10 . 1 1 16 16 VAL H H 16 7.913 7.913 8.076 -0.163 17958 1831 1 10 . 1 1 17 17 ASN N N 17 118.754 118.754 118.364 0.390 17958 1832 1 10 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.517 0.115 17958 1833 1 10 . 1 1 17 17 ASN C C 17 176.930 176.930 177.159 -0.229 17958 1834 1 10 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.761 -0.905 17958 1835 1 10 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.456 0.179 17958 1836 1 10 . 1 1 17 17 ASN H H 17 8.001 8.001 8.749 -0.748 17958 1837 1 10 . 1 1 18 18 TRP N N 18 120.811 120.811 122.612 -1.801 17958 1838 1 10 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.417 0.058 17958 1839 1 10 . 1 1 18 18 TRP C C 18 177.778 177.778 177.729 0.049 17958 1840 1 10 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.094 0.543 17958 1841 1 10 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.809 -0.969 17958 1842 1 10 . 1 1 18 18 TRP H H 18 8.408 8.408 7.807 0.601 17958 1843 1 10 . 1 1 19 19 GLY N N 19 105.598 105.598 106.749 -1.151 17958 1844 1 10 . 1 1 19 19 GLY C C 19 177.037 177.037 176.009 1.028 17958 1845 1 10 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.318 -0.105 17958 1846 1 10 . 1 1 19 19 GLY H H 19 8.395 8.395 7.915 0.480 17958 1847 1 10 . 1 1 20 20 GLU N N 20 121.656 121.656 121.693 -0.037 17958 1848 1 10 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.036 0.117 17958 1849 1 10 . 1 1 20 20 GLU C C 20 177.792 177.792 178.935 -1.143 17958 1850 1 10 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.206 -0.108 17958 1851 1 10 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.336 -1.410 17958 1852 1 10 . 1 1 20 20 GLU H H 20 8.345 8.345 7.748 0.597 17958 1853 1 10 . 1 1 21 21 ALA N N 21 122.688 122.688 122.220 0.468 17958 1854 1 10 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.101 0.005 17958 1855 1 10 . 1 1 21 21 ALA C C 21 180.552 180.552 179.749 0.803 17958 1856 1 10 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.731 0.599 17958 1857 1 10 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.228 -0.775 17958 1858 1 10 . 1 1 21 21 ALA H H 21 8.065 8.065 7.591 0.474 17958 1859 1 10 . 1 1 22 22 PHE N N 22 119.865 119.865 119.211 0.654 17958 1860 1 10 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.957 0.209 17958 1861 1 10 . 1 1 22 22 PHE C C 22 177.877 177.877 177.132 0.745 17958 1862 1 10 . 1 1 22 22 PHE CA C 22 61.103 61.103 59.175 1.928 17958 1863 1 10 . 1 1 22 22 PHE CB C 22 38.986 38.986 38.875 0.111 17958 1864 1 10 . 1 1 22 22 PHE H H 22 8.856 8.856 7.775 1.081 17958 1865 1 10 . 1 1 23 23 SER N N 23 113.333 113.333 115.305 -1.972 17958 1866 1 10 . 1 1 23 23 SER HA H 23 4.112 4.112 3.838 0.274 17958 1867 1 10 . 1 1 23 23 SER C C 23 177.301 177.301 176.544 0.757 17958 1868 1 10 . 1 1 23 23 SER CA C 23 61.555 61.555 61.836 -0.281 17958 1869 1 10 . 1 1 23 23 SER CB C 23 63.024 63.024 63.061 -0.037 17958 1870 1 10 . 1 1 23 23 SER H H 23 8.238 8.238 8.128 0.110 17958 1871 1 10 . 1 1 24 24 ALA N N 24 125.834 125.834 121.826 4.008 17958 1872 1 10 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.055 0.102 17958 1873 1 10 . 1 1 24 24 ALA C C 24 180.136 180.136 179.503 0.633 17958 1874 1 10 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.612 0.959 17958 1875 1 10 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.303 -0.883 17958 1876 1 10 . 1 1 24 24 ALA H H 24 8.437 8.437 7.729 0.708 17958 1877 1 10 . 1 1 25 25 GLY N N 25 106.183 106.183 107.006 -0.823 17958 1878 1 10 . 1 1 25 25 GLY C C 25 175.966 175.966 176.001 -0.035 17958 1879 1 10 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.642 0.462 17958 1880 1 10 . 1 1 25 25 GLY H H 25 8.038 8.038 7.541 0.497 17958 1881 1 10 . 1 1 26 26 VAL N N 26 120.836 120.836 122.791 -1.955 17958 1882 1 10 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.376 0.272 17958 1883 1 10 . 1 1 26 26 VAL C C 26 178.038 178.038 177.259 0.779 17958 1884 1 10 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.988 -0.419 17958 1885 1 10 . 1 1 26 26 VAL CB C 26 31.556 31.556 30.852 0.704 17958 1886 1 10 . 1 1 26 26 VAL H H 26 8.093 8.093 7.472 0.621 17958 1887 1 10 . 1 1 27 27 HIS N N 27 115.116 115.116 118.973 -3.857 17958 1888 1 10 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.190 0.032 17958 1889 1 10 . 1 1 27 27 HIS C C 27 176.446 176.446 177.342 -0.896 17958 1890 1 10 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.246 0.457 17958 1891 1 10 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.259 -2.764 17958 1892 1 10 . 1 1 27 27 HIS H H 27 8.005 8.005 7.664 0.341 17958 1893 1 10 . 1 1 28 28 ARG N N 28 119.021 119.021 119.232 -0.211 17958 1894 1 10 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.900 0.245 17958 1895 1 10 . 1 1 28 28 ARG C C 28 178.390 178.390 178.330 0.060 17958 1896 1 10 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.677 0.534 17958 1897 1 10 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.882 -0.379 17958 1898 1 10 . 1 1 28 28 ARG H H 28 8.090 8.090 7.410 0.680 17958 1899 1 10 . 1 1 29 29 LEU N N 29 120.208 120.208 119.118 1.090 17958 1900 1 10 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.003 0.154 17958 1901 1 10 . 1 1 29 29 LEU C C 29 179.176 179.176 178.838 0.338 17958 1902 1 10 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.642 -0.196 17958 1903 1 10 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.917 0.129 17958 1904 1 10 . 1 1 29 29 LEU H H 29 8.057 8.057 8.129 -0.072 17958 1905 1 10 . 1 1 30 30 ALA N N 30 120.604 120.604 120.725 -0.121 17958 1906 1 10 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.032 0.165 17958 1907 1 10 . 1 1 30 30 ALA C C 30 178.350 178.350 178.689 -0.339 17958 1908 1 10 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.937 -1.094 17958 1909 1 10 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.345 -0.512 17958 1910 1 10 . 1 1 30 30 ALA H H 30 8.242 8.242 7.897 0.345 17958 1911 1 10 . 1 1 31 31 ASN N N 31 114.606 114.606 116.323 -1.717 17958 1912 1 10 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.702 0.056 17958 1913 1 10 . 1 1 31 31 ASN C C 31 175.996 175.996 177.588 -1.592 17958 1914 1 10 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.933 -0.594 17958 1915 1 10 . 1 1 31 31 ASN CB C 31 39.096 39.096 38.754 0.342 17958 1916 1 10 . 1 1 31 31 ASN H H 31 7.798 7.798 7.623 0.175 17958 1917 1 10 . 1 1 32 32 GLY N N 32 106.804 106.804 107.494 -0.690 17958 1918 1 10 . 1 1 32 32 GLY C C 32 174.824 174.824 174.330 0.494 17958 1919 1 10 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.971 -0.070 17958 1920 1 10 . 1 1 32 32 GLY H H 32 8.021 8.021 8.290 -0.269 17958 1921 1 10 . 1 1 33 33 GLY N N 33 107.126 107.126 108.496 -1.370 17958 1922 1 10 . 1 1 33 33 GLY C C 33 173.800 173.800 175.142 -1.342 17958 1923 1 10 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.164 0.248 17958 1924 1 10 . 1 1 33 33 GLY H H 33 8.156 8.156 8.448 -0.292 17958 1925 1 10 . 1 1 34 34 ASN N N 34 116.972 116.972 121.411 -4.439 17958 1926 1 10 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.848 -0.109 17958 1927 1 10 . 1 1 34 34 ASN C C 34 175.053 175.053 176.548 -1.495 17958 1928 1 10 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.030 0.140 17958 1929 1 10 . 1 1 34 34 ASN CB C 34 38.857 38.857 38.986 -0.129 17958 1930 1 10 . 1 1 34 34 ASN H H 34 7.777 7.777 8.687 -0.910 17958 1931 1 10 . 1 1 35 35 GLY N N 35 106.758 106.758 108.163 -1.405 17958 1932 1 10 . 1 1 35 35 GLY C C 35 173.201 173.201 174.507 -1.306 17958 1933 1 10 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.782 0.283 17958 1934 1 10 . 1 1 35 35 GLY H H 35 7.875 7.875 8.226 -0.351 17958 1935 1 10 . 1 1 36 36 PHE N N 36 118.486 118.486 115.994 2.492 17958 1936 1 10 . 1 1 36 36 PHE HA H 36 4.580 4.580 5.059 -0.479 17958 1937 1 10 . 1 1 36 36 PHE C C 36 174.925 174.925 176.910 -1.985 17958 1938 1 10 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.644 0.331 17958 1939 1 10 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.499 0.042 17958 1940 1 10 . 1 1 36 36 PHE H H 36 7.537 7.537 8.388 -0.851 17958 1941 1 11 . 1 1 2 2 TYR N N 2 121.377 121.377 121.458 -0.081 17958 1942 1 11 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.313 0.272 17958 1943 1 11 . 1 1 2 2 TYR C C 2 174.972 174.972 174.850 0.122 17958 1944 1 11 . 1 1 2 2 TYR CA C 2 58.119 58.119 58.676 -0.557 17958 1945 1 11 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.235 1.730 17958 1946 1 11 . 1 1 2 2 TYR H H 2 8.202 8.202 8.416 -0.214 17958 1947 1 11 . 1 1 3 3 TYR N N 3 122.159 122.159 119.517 2.642 17958 1948 1 11 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.475 0.047 17958 1949 1 11 . 1 1 3 3 TYR C C 3 175.832 175.832 177.045 -1.213 17958 1950 1 11 . 1 1 3 3 TYR CA C 3 58.105 58.105 60.041 -1.936 17958 1951 1 11 . 1 1 3 3 TYR CB C 3 38.683 38.683 39.376 -0.693 17958 1952 1 11 . 1 1 3 3 TYR H H 3 7.680 7.680 8.194 -0.514 17958 1953 1 11 . 1 1 4 4 GLY N N 4 106.493 106.493 108.097 -1.604 17958 1954 1 11 . 1 1 4 4 GLY C C 4 173.959 173.959 174.341 -0.382 17958 1955 1 11 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.665 1.068 17958 1956 1 11 . 1 1 4 4 GLY H H 4 6.940 6.940 8.137 -1.197 17958 1957 1 11 . 1 1 5 5 ASN N N 5 117.075 117.075 124.172 -7.097 17958 1958 1 11 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.783 -0.059 17958 1959 1 11 . 1 1 5 5 ASN C C 5 176.312 176.312 175.207 1.105 17958 1960 1 11 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.127 1.166 17958 1961 1 11 . 1 1 5 5 ASN CB C 5 38.349 38.349 37.667 0.682 17958 1962 1 11 . 1 1 5 5 ASN H H 5 7.973 7.973 8.661 -0.688 17958 1963 1 11 . 1 1 6 6 GLY N N 6 107.279 107.279 110.322 -3.043 17958 1964 1 11 . 1 1 6 6 GLY C C 6 175.528 175.528 174.751 0.777 17958 1965 1 11 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.463 2.060 17958 1966 1 11 . 1 1 6 6 GLY H H 6 8.279 8.279 8.214 0.065 17958 1967 1 11 . 1 1 7 7 VAL N N 7 121.566 121.566 120.268 1.298 17958 1968 1 11 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.744 0.098 17958 1969 1 11 . 1 1 7 7 VAL C C 7 177.059 177.059 176.911 0.148 17958 1970 1 11 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.580 1.014 17958 1971 1 11 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.885 0.138 17958 1972 1 11 . 1 1 7 7 VAL H H 7 7.835 7.835 7.329 0.506 17958 1973 1 11 . 1 1 8 8 HIS N N 8 117.806 117.806 118.374 -0.568 17958 1974 1 11 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.415 0.111 17958 1975 1 11 . 1 1 8 8 HIS C C 8 176.479 176.479 177.527 -1.048 17958 1976 1 11 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.529 -1.577 17958 1977 1 11 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.577 -1.226 17958 1978 1 11 . 1 1 8 8 HIS H H 8 8.093 8.093 8.282 -0.189 17958 1979 1 11 . 1 1 9 9 LEU N N 9 120.856 120.856 119.445 1.411 17958 1980 1 11 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.097 0.137 17958 1981 1 11 . 1 1 9 9 LEU C C 9 178.449 178.449 177.641 0.808 17958 1982 1 11 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.312 0.469 17958 1983 1 11 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.666 0.588 17958 1984 1 11 . 1 1 9 9 LEU H H 9 8.255 8.255 8.223 0.032 17958 1985 1 11 . 1 1 10 10 THR N N 10 113.948 113.948 115.452 -1.504 17958 1986 1 11 . 1 1 10 10 THR HA H 10 4.194 4.194 3.954 0.240 17958 1987 1 11 . 1 1 10 10 THR C C 10 175.671 175.671 176.315 -0.644 17958 1988 1 11 . 1 1 10 10 THR CA C 10 65.157 65.157 66.656 -1.499 17958 1989 1 11 . 1 1 10 10 THR CB C 10 69.850 69.850 68.678 1.171 17958 1990 1 11 . 1 1 10 10 THR H H 10 8.008 8.008 7.273 0.735 17958 1991 1 11 . 1 1 11 11 LYS N N 11 120.215 120.215 120.244 -0.029 17958 1992 1 11 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.161 0.021 17958 1993 1 11 . 1 1 11 11 LYS C C 11 178.448 178.448 179.041 -0.593 17958 1994 1 11 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.548 0.556 17958 1995 1 11 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.121 0.044 17958 1996 1 11 . 1 1 11 11 LYS H H 11 8.312 8.312 7.782 0.530 17958 1997 1 11 . 1 1 12 12 SER N N 12 114.597 114.597 113.576 1.021 17958 1998 1 11 . 1 1 12 12 SER HA H 12 4.318 4.318 4.308 0.010 17958 1999 1 11 . 1 1 12 12 SER C C 12 175.635 175.635 174.793 0.842 17958 2000 1 11 . 1 1 12 12 SER CA C 12 61.156 61.156 59.928 1.228 17958 2001 1 11 . 1 1 12 12 SER CB C 12 63.074 63.074 64.022 -0.948 17958 2002 1 11 . 1 1 12 12 SER H H 12 8.068 8.068 8.155 -0.087 17958 2003 1 11 . 1 1 13 13 GLY N N 13 109.563 109.563 108.689 0.874 17958 2004 1 11 . 1 1 13 13 GLY C C 13 175.776 175.776 174.306 1.470 17958 2005 1 11 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.719 1.852 17958 2006 1 11 . 1 1 13 13 GLY H H 13 8.216 8.216 7.419 0.797 17958 2007 1 11 . 1 1 14 14 LEU N N 14 121.346 121.346 118.850 2.496 17958 2008 1 11 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.172 0.140 17958 2009 1 11 . 1 1 14 14 LEU C C 14 178.624 178.624 177.694 0.930 17958 2010 1 11 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.796 -0.312 17958 2011 1 11 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.546 0.515 17958 2012 1 11 . 1 1 14 14 LEU H H 14 8.173 8.173 8.362 -0.189 17958 2013 1 11 . 1 1 15 15 SER N N 15 113.795 113.795 116.141 -2.346 17958 2014 1 11 . 1 1 15 15 SER HA H 15 4.385 4.385 4.278 0.107 17958 2015 1 11 . 1 1 15 15 SER C C 15 175.964 175.964 176.456 -0.492 17958 2016 1 11 . 1 1 15 15 SER CA C 15 61.201 61.201 62.054 -0.853 17958 2017 1 11 . 1 1 15 15 SER CB C 15 63.397 63.397 62.491 0.906 17958 2018 1 11 . 1 1 15 15 SER H H 15 7.945 7.945 8.374 -0.429 17958 2019 1 11 . 1 1 16 16 VAL N N 16 121.965 121.965 121.513 0.452 17958 2020 1 11 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.913 0.079 17958 2021 1 11 . 1 1 16 16 VAL C C 16 177.176 177.176 177.132 0.044 17958 2022 1 11 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.109 1.310 17958 2023 1 11 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.386 0.628 17958 2024 1 11 . 1 1 16 16 VAL H H 16 7.913 7.913 7.799 0.114 17958 2025 1 11 . 1 1 17 17 ASN N N 17 118.754 118.754 119.779 -1.025 17958 2026 1 11 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.538 0.094 17958 2027 1 11 . 1 1 17 17 ASN C C 17 176.930 176.930 176.624 0.306 17958 2028 1 11 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.765 -0.909 17958 2029 1 11 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.492 0.142 17958 2030 1 11 . 1 1 17 17 ASN H H 17 8.001 8.001 8.475 -0.474 17958 2031 1 11 . 1 1 18 18 TRP N N 18 120.811 120.811 122.092 -1.281 17958 2032 1 11 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.379 0.096 17958 2033 1 11 . 1 1 18 18 TRP C C 18 177.778 177.778 178.328 -0.550 17958 2034 1 11 . 1 1 18 18 TRP CA C 18 60.637 60.637 59.865 0.772 17958 2035 1 11 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.895 -1.056 17958 2036 1 11 . 1 1 18 18 TRP H H 18 8.408 8.408 8.101 0.307 17958 2037 1 11 . 1 1 19 19 GLY N N 19 105.598 105.598 106.203 -0.605 17958 2038 1 11 . 1 1 19 19 GLY C C 19 177.037 177.037 175.971 1.066 17958 2039 1 11 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.239 -0.026 17958 2040 1 11 . 1 1 19 19 GLY H H 19 8.395 8.395 7.957 0.438 17958 2041 1 11 . 1 1 20 20 GLU N N 20 121.656 121.656 122.915 -1.259 17958 2042 1 11 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.063 0.090 17958 2043 1 11 . 1 1 20 20 GLU C C 20 177.792 177.792 179.049 -1.257 17958 2044 1 11 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.428 -0.330 17958 2045 1 11 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.685 -1.759 17958 2046 1 11 . 1 1 20 20 GLU H H 20 8.345 8.345 7.874 0.471 17958 2047 1 11 . 1 1 21 21 ALA N N 21 122.688 122.688 122.538 0.150 17958 2048 1 11 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.067 0.039 17958 2049 1 11 . 1 1 21 21 ALA C C 21 180.552 180.552 179.321 1.231 17958 2050 1 11 . 1 1 21 21 ALA CA C 21 55.330 55.330 55.049 0.281 17958 2051 1 11 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.451 -0.998 17958 2052 1 11 . 1 1 21 21 ALA H H 21 8.065 8.065 8.598 -0.533 17958 2053 1 11 . 1 1 22 22 PHE N N 22 119.865 119.865 119.097 0.768 17958 2054 1 11 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.752 0.414 17958 2055 1 11 . 1 1 22 22 PHE C C 22 177.877 177.877 177.108 0.769 17958 2056 1 11 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.168 -0.065 17958 2057 1 11 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.048 -0.062 17958 2058 1 11 . 1 1 22 22 PHE H H 22 8.856 8.856 8.280 0.576 17958 2059 1 11 . 1 1 23 23 SER N N 23 113.333 113.333 115.157 -1.824 17958 2060 1 11 . 1 1 23 23 SER HA H 23 4.112 4.112 3.970 0.142 17958 2061 1 11 . 1 1 23 23 SER C C 23 177.301 177.301 176.733 0.568 17958 2062 1 11 . 1 1 23 23 SER CA C 23 61.555 61.555 61.370 0.185 17958 2063 1 11 . 1 1 23 23 SER CB C 23 63.024 63.024 63.111 -0.087 17958 2064 1 11 . 1 1 23 23 SER H H 23 8.238 8.238 8.013 0.225 17958 2065 1 11 . 1 1 24 24 ALA N N 24 125.834 125.834 123.023 2.811 17958 2066 1 11 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.090 0.067 17958 2067 1 11 . 1 1 24 24 ALA C C 24 180.136 180.136 179.595 0.541 17958 2068 1 11 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.551 1.020 17958 2069 1 11 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.201 -0.781 17958 2070 1 11 . 1 1 24 24 ALA H H 24 8.437 8.437 7.807 0.630 17958 2071 1 11 . 1 1 25 25 GLY N N 25 106.183 106.183 106.044 0.139 17958 2072 1 11 . 1 1 25 25 GLY C C 25 175.966 175.966 175.921 0.045 17958 2073 1 11 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.775 0.329 17958 2074 1 11 . 1 1 25 25 GLY H H 25 8.038 8.038 7.597 0.441 17958 2075 1 11 . 1 1 26 26 VAL N N 26 120.836 120.836 123.207 -2.371 17958 2076 1 11 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.525 0.123 17958 2077 1 11 . 1 1 26 26 VAL C C 26 178.038 178.038 177.327 0.711 17958 2078 1 11 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.240 0.329 17958 2079 1 11 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.003 0.553 17958 2080 1 11 . 1 1 26 26 VAL H H 26 8.093 8.093 7.155 0.938 17958 2081 1 11 . 1 1 27 27 HIS N N 27 115.116 115.116 119.362 -4.246 17958 2082 1 11 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.255 -0.033 17958 2083 1 11 . 1 1 27 27 HIS C C 27 176.446 176.446 177.711 -1.265 17958 2084 1 11 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.376 -0.673 17958 2085 1 11 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.987 -2.492 17958 2086 1 11 . 1 1 27 27 HIS H H 27 8.005 8.005 7.663 0.342 17958 2087 1 11 . 1 1 28 28 ARG N N 28 119.021 119.021 118.403 0.618 17958 2088 1 11 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.134 0.011 17958 2089 1 11 . 1 1 28 28 ARG C C 28 178.390 178.390 178.707 -0.317 17958 2090 1 11 . 1 1 28 28 ARG CA C 28 59.211 59.211 59.333 -0.122 17958 2091 1 11 . 1 1 28 28 ARG CB C 28 29.503 29.503 30.251 -0.748 17958 2092 1 11 . 1 1 28 28 ARG H H 28 8.090 8.090 7.513 0.577 17958 2093 1 11 . 1 1 29 29 LEU N N 29 120.208 120.208 119.403 0.805 17958 2094 1 11 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.000 0.157 17958 2095 1 11 . 1 1 29 29 LEU C C 29 179.176 179.176 178.636 0.540 17958 2096 1 11 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.761 -0.315 17958 2097 1 11 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.910 0.136 17958 2098 1 11 . 1 1 29 29 LEU H H 29 8.057 8.057 7.777 0.280 17958 2099 1 11 . 1 1 30 30 ALA N N 30 120.604 120.604 120.064 0.540 17958 2100 1 11 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.129 0.068 17958 2101 1 11 . 1 1 30 30 ALA C C 30 178.350 178.350 178.629 -0.279 17958 2102 1 11 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.571 -0.728 17958 2103 1 11 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.790 -0.957 17958 2104 1 11 . 1 1 30 30 ALA H H 30 8.242 8.242 7.786 0.456 17958 2105 1 11 . 1 1 31 31 ASN N N 31 114.606 114.606 117.252 -2.646 17958 2106 1 11 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.682 0.076 17958 2107 1 11 . 1 1 31 31 ASN C C 31 175.996 175.996 175.116 0.880 17958 2108 1 11 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.140 0.199 17958 2109 1 11 . 1 1 31 31 ASN CB C 31 39.096 39.096 37.150 1.946 17958 2110 1 11 . 1 1 31 31 ASN H H 31 7.798 7.798 7.768 0.030 17958 2111 1 11 . 1 1 32 32 GLY N N 32 106.804 106.804 109.247 -2.443 17958 2112 1 11 . 1 1 32 32 GLY C C 32 174.824 174.824 174.271 0.553 17958 2113 1 11 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.665 0.237 17958 2114 1 11 . 1 1 32 32 GLY H H 32 8.021 8.021 7.811 0.210 17958 2115 1 11 . 1 1 33 33 GLY N N 33 107.126 107.126 111.035 -3.909 17958 2116 1 11 . 1 1 33 33 GLY C C 33 173.800 173.800 174.386 -0.586 17958 2117 1 11 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.915 0.497 17958 2118 1 11 . 1 1 33 33 GLY H H 33 8.156 8.156 8.019 0.137 17958 2119 1 11 . 1 1 34 34 ASN N N 34 116.972 116.972 120.494 -3.522 17958 2120 1 11 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.764 -0.025 17958 2121 1 11 . 1 1 34 34 ASN C C 34 175.053 175.053 175.547 -0.494 17958 2122 1 11 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.060 0.110 17958 2123 1 11 . 1 1 34 34 ASN CB C 34 38.857 38.857 37.806 1.051 17958 2124 1 11 . 1 1 34 34 ASN H H 34 7.777 7.777 8.481 -0.704 17958 2125 1 11 . 1 1 35 35 GLY N N 35 106.758 106.758 110.662 -3.904 17958 2126 1 11 . 1 1 35 35 GLY C C 35 173.201 173.201 173.792 -0.591 17958 2127 1 11 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.675 0.390 17958 2128 1 11 . 1 1 35 35 GLY H H 35 7.875 7.875 7.884 -0.009 17958 2129 1 11 . 1 1 36 36 PHE N N 36 118.486 118.486 123.954 -5.468 17958 2130 1 11 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.814 -0.234 17958 2131 1 11 . 1 1 36 36 PHE C C 36 174.925 174.925 176.047 -1.122 17958 2132 1 11 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.478 0.497 17958 2133 1 11 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.128 0.414 17958 2134 1 11 . 1 1 36 36 PHE H H 36 7.537 7.537 8.145 -0.608 17958 2135 1 12 . 1 1 2 2 TYR N N 2 121.377 121.377 121.978 -0.601 17958 2136 1 12 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.452 0.133 17958 2137 1 12 . 1 1 2 2 TYR C C 2 174.972 174.972 175.039 -0.067 17958 2138 1 12 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.685 0.434 17958 2139 1 12 . 1 1 2 2 TYR CB C 2 38.965 38.965 39.167 -0.202 17958 2140 1 12 . 1 1 2 2 TYR H H 2 8.202 8.202 7.989 0.213 17958 2141 1 12 . 1 1 3 3 TYR N N 3 122.159 122.159 117.721 4.438 17958 2142 1 12 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.878 -0.356 17958 2143 1 12 . 1 1 3 3 TYR C C 3 175.832 175.832 174.723 1.109 17958 2144 1 12 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.318 0.787 17958 2145 1 12 . 1 1 3 3 TYR CB C 3 38.683 38.683 38.737 -0.054 17958 2146 1 12 . 1 1 3 3 TYR H H 3 7.680 7.680 8.124 -0.444 17958 2147 1 12 . 1 1 4 4 GLY N N 4 106.493 106.493 111.410 -4.917 17958 2148 1 12 . 1 1 4 4 GLY C C 4 173.959 173.959 174.447 -0.488 17958 2149 1 12 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.057 1.676 17958 2150 1 12 . 1 1 4 4 GLY H H 4 6.940 6.940 8.297 -1.357 17958 2151 1 12 . 1 1 5 5 ASN N N 5 117.075 117.075 118.368 -1.293 17958 2152 1 12 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.667 0.057 17958 2153 1 12 . 1 1 5 5 ASN C C 5 176.312 176.312 176.649 -0.337 17958 2154 1 12 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.568 0.725 17958 2155 1 12 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.901 -0.552 17958 2156 1 12 . 1 1 5 5 ASN H H 5 7.973 7.973 8.533 -0.560 17958 2157 1 12 . 1 1 6 6 GLY N N 6 107.279 107.279 106.373 0.906 17958 2158 1 12 . 1 1 6 6 GLY C C 6 175.528 175.528 175.254 0.274 17958 2159 1 12 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.782 1.741 17958 2160 1 12 . 1 1 6 6 GLY H H 6 8.279 8.279 8.097 0.182 17958 2161 1 12 . 1 1 7 7 VAL N N 7 121.566 121.566 121.123 0.443 17958 2162 1 12 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.825 0.017 17958 2163 1 12 . 1 1 7 7 VAL C C 7 177.059 177.059 176.536 0.523 17958 2164 1 12 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.501 1.093 17958 2165 1 12 . 1 1 7 7 VAL CB C 7 32.023 32.023 32.020 0.003 17958 2166 1 12 . 1 1 7 7 VAL H H 7 7.835 7.835 7.968 -0.133 17958 2167 1 12 . 1 1 8 8 HIS N N 8 117.806 117.806 117.651 0.155 17958 2168 1 12 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.503 0.023 17958 2169 1 12 . 1 1 8 8 HIS C C 8 176.479 176.479 178.105 -1.626 17958 2170 1 12 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.532 -0.580 17958 2171 1 12 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.121 -0.770 17958 2172 1 12 . 1 1 8 8 HIS H H 8 8.093 8.093 8.288 -0.195 17958 2173 1 12 . 1 1 9 9 LEU N N 9 120.856 120.856 119.565 1.291 17958 2174 1 12 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.175 0.059 17958 2175 1 12 . 1 1 9 9 LEU C C 9 178.449 178.449 177.930 0.519 17958 2176 1 12 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.331 0.450 17958 2177 1 12 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.748 0.506 17958 2178 1 12 . 1 1 9 9 LEU H H 9 8.255 8.255 8.272 -0.017 17958 2179 1 12 . 1 1 10 10 THR N N 10 113.948 113.948 116.371 -2.423 17958 2180 1 12 . 1 1 10 10 THR HA H 10 4.194 4.194 4.000 0.194 17958 2181 1 12 . 1 1 10 10 THR C C 10 175.671 175.671 176.356 -0.685 17958 2182 1 12 . 1 1 10 10 THR CA C 10 65.157 65.157 67.092 -1.935 17958 2183 1 12 . 1 1 10 10 THR CB C 10 69.850 69.850 68.703 1.147 17958 2184 1 12 . 1 1 10 10 THR H H 10 8.008 8.008 7.365 0.643 17958 2185 1 12 . 1 1 11 11 LYS N N 11 120.215 120.215 120.217 -0.002 17958 2186 1 12 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.183 -0.001 17958 2187 1 12 . 1 1 11 11 LYS C C 11 178.448 178.448 179.119 -0.671 17958 2188 1 12 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.607 0.497 17958 2189 1 12 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.075 0.090 17958 2190 1 12 . 1 1 11 11 LYS H H 11 8.312 8.312 7.864 0.448 17958 2191 1 12 . 1 1 12 12 SER N N 12 114.597 114.597 113.614 0.983 17958 2192 1 12 . 1 1 12 12 SER HA H 12 4.318 4.318 4.290 0.028 17958 2193 1 12 . 1 1 12 12 SER C C 12 175.635 175.635 174.897 0.738 17958 2194 1 12 . 1 1 12 12 SER CA C 12 61.156 61.156 59.857 1.299 17958 2195 1 12 . 1 1 12 12 SER CB C 12 63.074 63.074 63.792 -0.718 17958 2196 1 12 . 1 1 12 12 SER H H 12 8.068 8.068 8.173 -0.105 17958 2197 1 12 . 1 1 13 13 GLY N N 13 109.563 109.563 108.725 0.838 17958 2198 1 12 . 1 1 13 13 GLY C C 13 175.776 175.776 174.339 1.437 17958 2199 1 12 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.750 1.821 17958 2200 1 12 . 1 1 13 13 GLY H H 13 8.216 8.216 7.415 0.801 17958 2201 1 12 . 1 1 14 14 LEU N N 14 121.346 121.346 119.908 1.438 17958 2202 1 12 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.206 0.106 17958 2203 1 12 . 1 1 14 14 LEU C C 14 178.624 178.624 177.570 1.054 17958 2204 1 12 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.598 -0.114 17958 2205 1 12 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.516 0.545 17958 2206 1 12 . 1 1 14 14 LEU H H 14 8.173 8.173 8.507 -0.334 17958 2207 1 12 . 1 1 15 15 SER N N 15 113.795 113.795 116.282 -2.487 17958 2208 1 12 . 1 1 15 15 SER HA H 15 4.385 4.385 4.280 0.105 17958 2209 1 12 . 1 1 15 15 SER C C 15 175.964 175.964 176.418 -0.454 17958 2210 1 12 . 1 1 15 15 SER CA C 15 61.201 61.201 61.546 -0.345 17958 2211 1 12 . 1 1 15 15 SER CB C 15 63.397 63.397 62.595 0.802 17958 2212 1 12 . 1 1 15 15 SER H H 15 7.945 7.945 8.425 -0.480 17958 2213 1 12 . 1 1 16 16 VAL N N 16 121.965 121.965 121.055 0.910 17958 2214 1 12 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.864 0.128 17958 2215 1 12 . 1 1 16 16 VAL C C 16 177.176 177.176 176.895 0.281 17958 2216 1 12 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.202 1.217 17958 2217 1 12 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.819 0.195 17958 2218 1 12 . 1 1 16 16 VAL H H 16 7.913 7.913 8.093 -0.180 17958 2219 1 12 . 1 1 17 17 ASN N N 17 118.754 118.754 119.205 -0.451 17958 2220 1 12 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.487 0.145 17958 2221 1 12 . 1 1 17 17 ASN C C 17 176.930 176.930 177.199 -0.269 17958 2222 1 12 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.816 -0.960 17958 2223 1 12 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.655 -0.020 17958 2224 1 12 . 1 1 17 17 ASN H H 17 8.001 8.001 8.297 -0.296 17958 2225 1 12 . 1 1 18 18 TRP N N 18 120.811 120.811 122.485 -1.674 17958 2226 1 12 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.493 -0.018 17958 2227 1 12 . 1 1 18 18 TRP C C 18 177.778 177.778 178.445 -0.667 17958 2228 1 12 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.463 0.174 17958 2229 1 12 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.232 -0.392 17958 2230 1 12 . 1 1 18 18 TRP H H 18 8.408 8.408 7.964 0.444 17958 2231 1 12 . 1 1 19 19 GLY N N 19 105.598 105.598 106.007 -0.409 17958 2232 1 12 . 1 1 19 19 GLY C C 19 177.037 177.037 176.429 0.608 17958 2233 1 12 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.530 -0.317 17958 2234 1 12 . 1 1 19 19 GLY H H 19 8.395 8.395 8.066 0.329 17958 2235 1 12 . 1 1 20 20 GLU N N 20 121.656 121.656 122.427 -0.771 17958 2236 1 12 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.123 0.030 17958 2237 1 12 . 1 1 20 20 GLU C C 20 177.792 177.792 178.985 -1.193 17958 2238 1 12 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.233 -0.135 17958 2239 1 12 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.490 -1.564 17958 2240 1 12 . 1 1 20 20 GLU H H 20 8.345 8.345 8.068 0.277 17958 2241 1 12 . 1 1 21 21 ALA N N 21 122.688 122.688 122.352 0.336 17958 2242 1 12 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.144 -0.038 17958 2243 1 12 . 1 1 21 21 ALA C C 21 180.552 180.552 179.708 0.844 17958 2244 1 12 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.974 0.356 17958 2245 1 12 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.291 -0.838 17958 2246 1 12 . 1 1 21 21 ALA H H 21 8.065 8.065 8.272 -0.207 17958 2247 1 12 . 1 1 22 22 PHE N N 22 119.865 119.865 119.368 0.497 17958 2248 1 12 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.211 -0.045 17958 2249 1 12 . 1 1 22 22 PHE C C 22 177.877 177.877 177.335 0.542 17958 2250 1 12 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.332 -0.229 17958 2251 1 12 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.483 -0.497 17958 2252 1 12 . 1 1 22 22 PHE H H 22 8.856 8.856 8.608 0.248 17958 2253 1 12 . 1 1 23 23 SER N N 23 113.333 113.333 115.375 -2.042 17958 2254 1 12 . 1 1 23 23 SER HA H 23 4.112 4.112 4.028 0.084 17958 2255 1 12 . 1 1 23 23 SER C C 23 177.301 177.301 176.683 0.618 17958 2256 1 12 . 1 1 23 23 SER CA C 23 61.555 61.555 62.144 -0.589 17958 2257 1 12 . 1 1 23 23 SER CB C 23 63.024 63.024 63.088 -0.064 17958 2258 1 12 . 1 1 23 23 SER H H 23 8.238 8.238 8.074 0.164 17958 2259 1 12 . 1 1 24 24 ALA N N 24 125.834 125.834 124.359 1.475 17958 2260 1 12 . 1 1 24 24 ALA HA H 24 4.157 4.157 3.955 0.202 17958 2261 1 12 . 1 1 24 24 ALA C C 24 180.136 180.136 179.585 0.551 17958 2262 1 12 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.896 0.675 17958 2263 1 12 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.174 -0.754 17958 2264 1 12 . 1 1 24 24 ALA H H 24 8.437 8.437 7.512 0.925 17958 2265 1 12 . 1 1 25 25 GLY N N 25 106.183 106.183 106.520 -0.337 17958 2266 1 12 . 1 1 25 25 GLY C C 25 175.966 175.966 176.328 -0.362 17958 2267 1 12 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.852 0.252 17958 2268 1 12 . 1 1 25 25 GLY H H 25 8.038 8.038 7.545 0.493 17958 2269 1 12 . 1 1 26 26 VAL N N 26 120.836 120.836 121.372 -0.536 17958 2270 1 12 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.399 0.249 17958 2271 1 12 . 1 1 26 26 VAL C C 26 178.038 178.038 177.166 0.872 17958 2272 1 12 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.600 -0.031 17958 2273 1 12 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.103 0.453 17958 2274 1 12 . 1 1 26 26 VAL H H 26 8.093 8.093 7.891 0.202 17958 2275 1 12 . 1 1 27 27 HIS N N 27 115.116 115.116 118.948 -3.832 17958 2276 1 12 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.277 -0.055 17958 2277 1 12 . 1 1 27 27 HIS C C 27 176.446 176.446 177.585 -1.139 17958 2278 1 12 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.836 -0.133 17958 2279 1 12 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.862 -2.367 17958 2280 1 12 . 1 1 27 27 HIS H H 27 8.005 8.005 7.634 0.371 17958 2281 1 12 . 1 1 28 28 ARG N N 28 119.021 119.021 118.949 0.072 17958 2282 1 12 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.042 0.103 17958 2283 1 12 . 1 1 28 28 ARG C C 28 178.390 178.390 178.490 -0.100 17958 2284 1 12 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.024 1.187 17958 2285 1 12 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.703 -0.200 17958 2286 1 12 . 1 1 28 28 ARG H H 28 8.090 8.090 7.680 0.410 17958 2287 1 12 . 1 1 29 29 LEU N N 29 120.208 120.208 120.774 -0.566 17958 2288 1 12 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.023 0.134 17958 2289 1 12 . 1 1 29 29 LEU C C 29 179.176 179.176 178.673 0.503 17958 2290 1 12 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.609 -0.163 17958 2291 1 12 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.674 0.372 17958 2292 1 12 . 1 1 29 29 LEU H H 29 8.057 8.057 7.622 0.435 17958 2293 1 12 . 1 1 30 30 ALA N N 30 120.604 120.604 119.102 1.502 17958 2294 1 12 . 1 1 30 30 ALA HA H 30 4.197 4.197 3.702 0.495 17958 2295 1 12 . 1 1 30 30 ALA C C 30 178.350 178.350 178.124 0.226 17958 2296 1 12 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.253 -0.410 17958 2297 1 12 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.489 -0.656 17958 2298 1 12 . 1 1 30 30 ALA H H 30 8.242 8.242 7.622 0.620 17958 2299 1 12 . 1 1 31 31 ASN N N 31 114.606 114.606 116.317 -1.711 17958 2300 1 12 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.632 0.126 17958 2301 1 12 . 1 1 31 31 ASN C C 31 175.996 175.996 175.666 0.330 17958 2302 1 12 . 1 1 31 31 ASN CA C 31 53.339 53.339 54.335 -0.996 17958 2303 1 12 . 1 1 31 31 ASN CB C 31 39.096 39.096 40.489 -1.393 17958 2304 1 12 . 1 1 31 31 ASN H H 31 7.798 7.798 7.345 0.453 17958 2305 1 12 . 1 1 32 32 GLY N N 32 106.804 106.804 104.045 2.759 17958 2306 1 12 . 1 1 32 32 GLY C C 32 174.824 174.824 173.664 1.160 17958 2307 1 12 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.083 0.819 17958 2308 1 12 . 1 1 32 32 GLY H H 32 8.021 8.021 8.303 -0.282 17958 2309 1 12 . 1 1 33 33 GLY N N 33 107.126 107.126 108.465 -1.339 17958 2310 1 12 . 1 1 33 33 GLY C C 33 173.800 173.800 174.846 -1.046 17958 2311 1 12 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.462 -0.050 17958 2312 1 12 . 1 1 33 33 GLY H H 33 8.156 8.156 7.980 0.176 17958 2313 1 12 . 1 1 34 34 ASN N N 34 116.972 116.972 118.715 -1.743 17958 2314 1 12 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.695 0.044 17958 2315 1 12 . 1 1 34 34 ASN C C 34 175.053 175.053 175.535 -0.482 17958 2316 1 12 . 1 1 34 34 ASN CA C 34 53.170 53.170 54.167 -0.997 17958 2317 1 12 . 1 1 34 34 ASN CB C 34 38.857 38.857 38.664 0.193 17958 2318 1 12 . 1 1 34 34 ASN H H 34 7.777 7.777 8.263 -0.486 17958 2319 1 12 . 1 1 35 35 GLY N N 35 106.758 106.758 108.014 -1.256 17958 2320 1 12 . 1 1 35 35 GLY C C 35 173.201 173.201 173.209 -0.008 17958 2321 1 12 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.982 0.083 17958 2322 1 12 . 1 1 35 35 GLY H H 35 7.875 7.875 7.862 0.013 17958 2323 1 12 . 1 1 36 36 PHE N N 36 118.486 118.486 122.523 -4.037 17958 2324 1 12 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.696 -0.116 17958 2325 1 12 . 1 1 36 36 PHE C C 36 174.925 174.925 176.077 -1.152 17958 2326 1 12 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.724 0.251 17958 2327 1 12 . 1 1 36 36 PHE CB C 36 39.542 39.542 38.207 1.335 17958 2328 1 12 . 1 1 36 36 PHE H H 36 7.537 7.537 8.288 -0.751 17958 2329 1 13 . 1 1 2 2 TYR N N 2 121.377 121.377 120.161 1.216 17958 2330 1 13 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.487 0.098 17958 2331 1 13 . 1 1 2 2 TYR C C 2 174.972 174.972 174.113 0.859 17958 2332 1 13 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.427 0.692 17958 2333 1 13 . 1 1 2 2 TYR CB C 2 38.965 38.965 38.896 0.069 17958 2334 1 13 . 1 1 2 2 TYR H H 2 8.202 8.202 7.931 0.271 17958 2335 1 13 . 1 1 3 3 TYR N N 3 122.159 122.159 120.113 2.046 17958 2336 1 13 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.583 -0.061 17958 2337 1 13 . 1 1 3 3 TYR C C 3 175.832 175.832 175.115 0.717 17958 2338 1 13 . 1 1 3 3 TYR CA C 3 58.105 58.105 58.178 -0.073 17958 2339 1 13 . 1 1 3 3 TYR CB C 3 38.683 38.683 39.663 -0.980 17958 2340 1 13 . 1 1 3 3 TYR H H 3 7.680 7.680 8.542 -0.862 17958 2341 1 13 . 1 1 4 4 GLY N N 4 106.493 106.493 111.066 -4.573 17958 2342 1 13 . 1 1 4 4 GLY C C 4 173.959 173.959 174.862 -0.903 17958 2343 1 13 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.964 0.769 17958 2344 1 13 . 1 1 4 4 GLY H H 4 6.940 6.940 8.396 -1.456 17958 2345 1 13 . 1 1 5 5 ASN N N 5 117.075 117.075 120.040 -2.965 17958 2346 1 13 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.603 0.121 17958 2347 1 13 . 1 1 5 5 ASN C C 5 176.312 176.312 176.593 -0.281 17958 2348 1 13 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.526 0.767 17958 2349 1 13 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.774 -0.425 17958 2350 1 13 . 1 1 5 5 ASN H H 5 7.973 7.973 8.697 -0.724 17958 2351 1 13 . 1 1 6 6 GLY N N 6 107.279 107.279 105.231 2.048 17958 2352 1 13 . 1 1 6 6 GLY C C 6 175.528 175.528 174.936 0.592 17958 2353 1 13 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.835 1.688 17958 2354 1 13 . 1 1 6 6 GLY H H 6 8.279 8.279 7.951 0.328 17958 2355 1 13 . 1 1 7 7 VAL N N 7 121.566 121.566 122.823 -1.257 17958 2356 1 13 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.872 -0.030 17958 2357 1 13 . 1 1 7 7 VAL C C 7 177.059 177.059 176.603 0.456 17958 2358 1 13 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.926 0.668 17958 2359 1 13 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.656 0.367 17958 2360 1 13 . 1 1 7 7 VAL H H 7 7.835 7.835 8.156 -0.321 17958 2361 1 13 . 1 1 8 8 HIS N N 8 117.806 117.806 118.964 -1.158 17958 2362 1 13 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.483 0.043 17958 2363 1 13 . 1 1 8 8 HIS C C 8 176.479 176.479 177.694 -1.215 17958 2364 1 13 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.126 -1.174 17958 2365 1 13 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.509 -1.158 17958 2366 1 13 . 1 1 8 8 HIS H H 8 8.093 8.093 8.308 -0.215 17958 2367 1 13 . 1 1 9 9 LEU N N 9 120.856 120.856 118.079 2.777 17958 2368 1 13 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.095 0.139 17958 2369 1 13 . 1 1 9 9 LEU C C 9 178.449 178.449 177.745 0.704 17958 2370 1 13 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.369 0.412 17958 2371 1 13 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.738 0.516 17958 2372 1 13 . 1 1 9 9 LEU H H 9 8.255 8.255 8.275 -0.020 17958 2373 1 13 . 1 1 10 10 THR N N 10 113.948 113.948 115.524 -1.576 17958 2374 1 13 . 1 1 10 10 THR HA H 10 4.194 4.194 3.919 0.275 17958 2375 1 13 . 1 1 10 10 THR C C 10 175.671 175.671 176.293 -0.622 17958 2376 1 13 . 1 1 10 10 THR CA C 10 65.157 65.157 66.856 -1.699 17958 2377 1 13 . 1 1 10 10 THR CB C 10 69.850 69.850 68.740 1.110 17958 2378 1 13 . 1 1 10 10 THR H H 10 8.008 8.008 7.304 0.704 17958 2379 1 13 . 1 1 11 11 LYS N N 11 120.215 120.215 120.624 -0.409 17958 2380 1 13 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.072 0.110 17958 2381 1 13 . 1 1 11 11 LYS C C 11 178.448 178.448 179.122 -0.674 17958 2382 1 13 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.598 0.506 17958 2383 1 13 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.129 0.036 17958 2384 1 13 . 1 1 11 11 LYS H H 11 8.312 8.312 7.721 0.591 17958 2385 1 13 . 1 1 12 12 SER N N 12 114.597 114.597 113.430 1.167 17958 2386 1 13 . 1 1 12 12 SER HA H 12 4.318 4.318 4.168 0.150 17958 2387 1 13 . 1 1 12 12 SER C C 12 175.635 175.635 174.899 0.736 17958 2388 1 13 . 1 1 12 12 SER CA C 12 61.156 61.156 60.464 0.692 17958 2389 1 13 . 1 1 12 12 SER CB C 12 63.074 63.074 63.806 -0.731 17958 2390 1 13 . 1 1 12 12 SER H H 12 8.068 8.068 8.063 0.005 17958 2391 1 13 . 1 1 13 13 GLY N N 13 109.563 109.563 108.173 1.390 17958 2392 1 13 . 1 1 13 13 GLY C C 13 175.776 175.776 174.414 1.362 17958 2393 1 13 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.766 1.805 17958 2394 1 13 . 1 1 13 13 GLY H H 13 8.216 8.216 7.347 0.869 17958 2395 1 13 . 1 1 14 14 LEU N N 14 121.346 121.346 119.285 2.061 17958 2396 1 13 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.139 0.173 17958 2397 1 13 . 1 1 14 14 LEU C C 14 178.624 178.624 177.657 0.967 17958 2398 1 13 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.654 -0.170 17958 2399 1 13 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.484 0.577 17958 2400 1 13 . 1 1 14 14 LEU H H 14 8.173 8.173 8.415 -0.242 17958 2401 1 13 . 1 1 15 15 SER N N 15 113.795 113.795 115.967 -2.172 17958 2402 1 13 . 1 1 15 15 SER HA H 15 4.385 4.385 4.349 0.036 17958 2403 1 13 . 1 1 15 15 SER C C 15 175.964 175.964 176.625 -0.661 17958 2404 1 13 . 1 1 15 15 SER CA C 15 61.201 61.201 61.540 -0.339 17958 2405 1 13 . 1 1 15 15 SER CB C 15 63.397 63.397 62.101 1.296 17958 2406 1 13 . 1 1 15 15 SER H H 15 7.945 7.945 8.345 -0.400 17958 2407 1 13 . 1 1 16 16 VAL N N 16 121.965 121.965 122.734 -0.769 17958 2408 1 13 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.915 0.077 17958 2409 1 13 . 1 1 16 16 VAL C C 16 177.176 177.176 177.098 0.078 17958 2410 1 13 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.208 1.211 17958 2411 1 13 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.672 0.342 17958 2412 1 13 . 1 1 16 16 VAL H H 16 7.913 7.913 7.748 0.165 17958 2413 1 13 . 1 1 17 17 ASN N N 17 118.754 118.754 118.765 -0.011 17958 2414 1 13 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.536 0.096 17958 2415 1 13 . 1 1 17 17 ASN C C 17 176.930 176.930 177.083 -0.153 17958 2416 1 13 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.560 -0.704 17958 2417 1 13 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.764 -0.129 17958 2418 1 13 . 1 1 17 17 ASN H H 17 8.001 8.001 8.269 -0.268 17958 2419 1 13 . 1 1 18 18 TRP N N 18 120.811 120.811 122.368 -1.557 17958 2420 1 13 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.437 0.038 17958 2421 1 13 . 1 1 18 18 TRP C C 18 177.778 177.778 178.267 -0.489 17958 2422 1 13 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.536 0.101 17958 2423 1 13 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.030 -0.190 17958 2424 1 13 . 1 1 18 18 TRP H H 18 8.408 8.408 7.894 0.514 17958 2425 1 13 . 1 1 19 19 GLY N N 19 105.598 105.598 105.641 -0.043 17958 2426 1 13 . 1 1 19 19 GLY C C 19 177.037 177.037 176.288 0.749 17958 2427 1 13 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.391 -0.178 17958 2428 1 13 . 1 1 19 19 GLY H H 19 8.395 8.395 7.993 0.402 17958 2429 1 13 . 1 1 20 20 GLU N N 20 121.656 121.656 122.878 -1.222 17958 2430 1 13 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.130 0.023 17958 2431 1 13 . 1 1 20 20 GLU C C 20 177.792 177.792 179.227 -1.435 17958 2432 1 13 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.421 -0.323 17958 2433 1 13 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.598 -1.672 17958 2434 1 13 . 1 1 20 20 GLU H H 20 8.345 8.345 7.714 0.631 17958 2435 1 13 . 1 1 21 21 ALA N N 21 122.688 122.688 122.709 -0.021 17958 2436 1 13 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.150 -0.044 17958 2437 1 13 . 1 1 21 21 ALA C C 21 180.552 180.552 179.870 0.682 17958 2438 1 13 . 1 1 21 21 ALA CA C 21 55.330 55.330 55.113 0.217 17958 2439 1 13 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.320 -0.867 17958 2440 1 13 . 1 1 21 21 ALA H H 21 8.065 8.065 8.493 -0.428 17958 2441 1 13 . 1 1 22 22 PHE N N 22 119.865 119.865 119.363 0.502 17958 2442 1 13 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.123 0.043 17958 2443 1 13 . 1 1 22 22 PHE C C 22 177.877 177.877 177.413 0.464 17958 2444 1 13 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.331 -0.228 17958 2445 1 13 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.297 -0.311 17958 2446 1 13 . 1 1 22 22 PHE H H 22 8.856 8.856 8.684 0.172 17958 2447 1 13 . 1 1 23 23 SER N N 23 113.333 113.333 115.514 -2.181 17958 2448 1 13 . 1 1 23 23 SER HA H 23 4.112 4.112 4.130 -0.018 17958 2449 1 13 . 1 1 23 23 SER C C 23 177.301 177.301 176.850 0.451 17958 2450 1 13 . 1 1 23 23 SER CA C 23 61.555 61.555 61.885 -0.330 17958 2451 1 13 . 1 1 23 23 SER CB C 23 63.024 63.024 62.948 0.076 17958 2452 1 13 . 1 1 23 23 SER H H 23 8.238 8.238 8.153 0.085 17958 2453 1 13 . 1 1 24 24 ALA N N 24 125.834 125.834 124.056 1.778 17958 2454 1 13 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.092 0.065 17958 2455 1 13 . 1 1 24 24 ALA C C 24 180.136 180.136 179.881 0.255 17958 2456 1 13 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.699 0.872 17958 2457 1 13 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.384 -0.964 17958 2458 1 13 . 1 1 24 24 ALA H H 24 8.437 8.437 8.121 0.316 17958 2459 1 13 . 1 1 25 25 GLY N N 25 106.183 106.183 106.397 -0.214 17958 2460 1 13 . 1 1 25 25 GLY C C 25 175.966 175.966 176.072 -0.106 17958 2461 1 13 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.436 0.668 17958 2462 1 13 . 1 1 25 25 GLY H H 25 8.038 8.038 7.868 0.170 17958 2463 1 13 . 1 1 26 26 VAL N N 26 120.836 120.836 122.990 -2.154 17958 2464 1 13 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.567 0.081 17958 2465 1 13 . 1 1 26 26 VAL C C 26 178.038 178.038 177.300 0.738 17958 2466 1 13 . 1 1 26 26 VAL CA C 26 66.569 66.569 67.008 -0.439 17958 2467 1 13 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.067 0.489 17958 2468 1 13 . 1 1 26 26 VAL H H 26 8.093 8.093 7.818 0.275 17958 2469 1 13 . 1 1 27 27 HIS N N 27 115.116 115.116 119.376 -4.260 17958 2470 1 13 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.163 0.059 17958 2471 1 13 . 1 1 27 27 HIS C C 27 176.446 176.446 177.418 -0.972 17958 2472 1 13 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.673 0.030 17958 2473 1 13 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.445 -2.950 17958 2474 1 13 . 1 1 27 27 HIS H H 27 8.005 8.005 7.702 0.303 17958 2475 1 13 . 1 1 28 28 ARG N N 28 119.021 119.021 118.492 0.529 17958 2476 1 13 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.003 0.142 17958 2477 1 13 . 1 1 28 28 ARG C C 28 178.390 178.390 178.049 0.341 17958 2478 1 13 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.687 0.524 17958 2479 1 13 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.840 -0.337 17958 2480 1 13 . 1 1 28 28 ARG H H 28 8.090 8.090 7.827 0.263 17958 2481 1 13 . 1 1 29 29 LEU N N 29 120.208 120.208 118.389 1.819 17958 2482 1 13 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.039 0.118 17958 2483 1 13 . 1 1 29 29 LEU C C 29 179.176 179.176 178.526 0.650 17958 2484 1 13 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.350 0.096 17958 2485 1 13 . 1 1 29 29 LEU CB C 29 42.046 42.046 42.144 -0.097 17958 2486 1 13 . 1 1 29 29 LEU H H 29 8.057 8.057 7.791 0.266 17958 2487 1 13 . 1 1 30 30 ALA N N 30 120.604 120.604 120.386 0.218 17958 2488 1 13 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.094 0.103 17958 2489 1 13 . 1 1 30 30 ALA C C 30 178.350 178.350 179.056 -0.706 17958 2490 1 13 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.429 -0.586 17958 2491 1 13 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.809 -0.976 17958 2492 1 13 . 1 1 30 30 ALA H H 30 8.242 8.242 8.026 0.216 17958 2493 1 13 . 1 1 31 31 ASN N N 31 114.606 114.606 116.717 -2.111 17958 2494 1 13 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.677 0.081 17958 2495 1 13 . 1 1 31 31 ASN C C 31 175.996 175.996 174.857 1.139 17958 2496 1 13 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.085 0.254 17958 2497 1 13 . 1 1 31 31 ASN CB C 31 39.096 39.096 36.970 2.126 17958 2498 1 13 . 1 1 31 31 ASN H H 31 7.798 7.798 7.707 0.091 17958 2499 1 13 . 1 1 32 32 GLY N N 32 106.804 106.804 106.608 0.196 17958 2500 1 13 . 1 1 32 32 GLY C C 32 174.824 174.824 174.386 0.438 17958 2501 1 13 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.727 0.175 17958 2502 1 13 . 1 1 32 32 GLY H H 32 8.021 8.021 7.833 0.188 17958 2503 1 13 . 1 1 33 33 GLY N N 33 107.126 107.126 112.547 -5.421 17958 2504 1 13 . 1 1 33 33 GLY C C 33 173.800 173.800 173.768 0.032 17958 2505 1 13 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.007 0.405 17958 2506 1 13 . 1 1 33 33 GLY H H 33 8.156 8.156 8.002 0.154 17958 2507 1 13 . 1 1 34 34 ASN N N 34 116.972 116.972 123.203 -6.231 17958 2508 1 13 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.863 -0.124 17958 2509 1 13 . 1 1 34 34 ASN C C 34 175.053 175.053 175.403 -0.350 17958 2510 1 13 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.233 -0.062 17958 2511 1 13 . 1 1 34 34 ASN CB C 34 38.857 38.857 41.240 -2.383 17958 2512 1 13 . 1 1 34 34 ASN H H 34 7.777 7.777 7.835 -0.058 17958 2513 1 13 . 1 1 35 35 GLY N N 35 106.758 106.758 110.985 -4.227 17958 2514 1 13 . 1 1 35 35 GLY C C 35 173.201 173.201 173.750 -0.549 17958 2515 1 13 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.895 0.170 17958 2516 1 13 . 1 1 35 35 GLY H H 35 7.875 7.875 8.237 -0.362 17958 2517 1 13 . 1 1 36 36 PHE N N 36 118.486 118.486 118.225 0.261 17958 2518 1 13 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.653 -0.073 17958 2519 1 13 . 1 1 36 36 PHE C C 36 174.925 174.925 174.915 0.010 17958 2520 1 13 . 1 1 36 36 PHE CA C 36 57.975 57.975 56.398 1.577 17958 2521 1 13 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.818 -0.276 17958 2522 1 13 . 1 1 36 36 PHE H H 36 7.537 7.537 7.469 0.068 17958 2523 1 14 . 1 1 2 2 TYR N N 2 121.377 121.377 117.172 4.205 17958 2524 1 14 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.943 -0.358 17958 2525 1 14 . 1 1 2 2 TYR C C 2 174.972 174.972 174.433 0.539 17958 2526 1 14 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.117 1.002 17958 2527 1 14 . 1 1 2 2 TYR CB C 2 38.965 38.965 39.069 -0.103 17958 2528 1 14 . 1 1 2 2 TYR H H 2 8.202 8.202 7.807 0.395 17958 2529 1 14 . 1 1 3 3 TYR N N 3 122.159 122.159 125.798 -3.639 17958 2530 1 14 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.502 0.020 17958 2531 1 14 . 1 1 3 3 TYR C C 3 175.832 175.832 175.454 0.378 17958 2532 1 14 . 1 1 3 3 TYR CA C 3 58.105 58.105 58.032 0.073 17958 2533 1 14 . 1 1 3 3 TYR CB C 3 38.683 38.683 39.292 -0.609 17958 2534 1 14 . 1 1 3 3 TYR H H 3 7.680 7.680 8.594 -0.914 17958 2535 1 14 . 1 1 4 4 GLY N N 4 106.493 106.493 106.455 0.038 17958 2536 1 14 . 1 1 4 4 GLY C C 4 173.959 173.959 173.614 0.345 17958 2537 1 14 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.748 0.986 17958 2538 1 14 . 1 1 4 4 GLY H H 4 6.940 6.940 7.860 -0.920 17958 2539 1 14 . 1 1 5 5 ASN N N 5 117.075 117.075 118.381 -1.306 17958 2540 1 14 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.722 0.002 17958 2541 1 14 . 1 1 5 5 ASN C C 5 176.312 176.312 175.992 0.320 17958 2542 1 14 . 1 1 5 5 ASN CA C 5 54.293 54.293 54.063 0.230 17958 2543 1 14 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.756 -0.407 17958 2544 1 14 . 1 1 5 5 ASN H H 5 7.973 7.973 8.729 -0.756 17958 2545 1 14 . 1 1 6 6 GLY N N 6 107.279 107.279 106.195 1.084 17958 2546 1 14 . 1 1 6 6 GLY C C 6 175.528 175.528 175.540 -0.012 17958 2547 1 14 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.710 1.813 17958 2548 1 14 . 1 1 6 6 GLY H H 6 8.279 8.279 8.024 0.255 17958 2549 1 14 . 1 1 7 7 VAL N N 7 121.566 121.566 119.174 2.392 17958 2550 1 14 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.985 -0.143 17958 2551 1 14 . 1 1 7 7 VAL C C 7 177.059 177.059 176.918 0.141 17958 2552 1 14 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.335 1.259 17958 2553 1 14 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.615 0.408 17958 2554 1 14 . 1 1 7 7 VAL H H 7 7.835 7.835 8.058 -0.223 17958 2555 1 14 . 1 1 8 8 HIS N N 8 117.806 117.806 119.462 -1.656 17958 2556 1 14 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.480 0.046 17958 2557 1 14 . 1 1 8 8 HIS C C 8 176.479 176.479 177.701 -1.222 17958 2558 1 14 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.328 -0.376 17958 2559 1 14 . 1 1 8 8 HIS CB C 8 28.351 28.351 30.043 -1.692 17958 2560 1 14 . 1 1 8 8 HIS H H 8 8.093 8.093 8.257 -0.164 17958 2561 1 14 . 1 1 9 9 LEU N N 9 120.856 120.856 118.782 2.074 17958 2562 1 14 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.135 0.099 17958 2563 1 14 . 1 1 9 9 LEU C C 9 178.449 178.449 177.829 0.620 17958 2564 1 14 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.255 0.526 17958 2565 1 14 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.854 0.400 17958 2566 1 14 . 1 1 9 9 LEU H H 9 8.255 8.255 8.310 -0.055 17958 2567 1 14 . 1 1 10 10 THR N N 10 113.948 113.948 115.555 -1.607 17958 2568 1 14 . 1 1 10 10 THR HA H 10 4.194 4.194 3.967 0.227 17958 2569 1 14 . 1 1 10 10 THR C C 10 175.671 175.671 176.297 -0.626 17958 2570 1 14 . 1 1 10 10 THR CA C 10 65.157 65.157 66.915 -1.758 17958 2571 1 14 . 1 1 10 10 THR CB C 10 69.850 69.850 68.747 1.103 17958 2572 1 14 . 1 1 10 10 THR H H 10 8.008 8.008 7.371 0.637 17958 2573 1 14 . 1 1 11 11 LYS N N 11 120.215 120.215 120.454 -0.239 17958 2574 1 14 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.125 0.057 17958 2575 1 14 . 1 1 11 11 LYS C C 11 178.448 178.448 178.943 -0.495 17958 2576 1 14 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.610 0.494 17958 2577 1 14 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.231 -0.066 17958 2578 1 14 . 1 1 11 11 LYS H H 11 8.312 8.312 7.843 0.469 17958 2579 1 14 . 1 1 12 12 SER N N 12 114.597 114.597 113.501 1.096 17958 2580 1 14 . 1 1 12 12 SER HA H 12 4.318 4.318 4.140 0.178 17958 2581 1 14 . 1 1 12 12 SER C C 12 175.635 175.635 174.684 0.951 17958 2582 1 14 . 1 1 12 12 SER CA C 12 61.156 61.156 59.491 1.665 17958 2583 1 14 . 1 1 12 12 SER CB C 12 63.074 63.074 63.660 -0.586 17958 2584 1 14 . 1 1 12 12 SER H H 12 8.068 8.068 8.039 0.029 17958 2585 1 14 . 1 1 13 13 GLY N N 13 109.563 109.563 108.476 1.087 17958 2586 1 14 . 1 1 13 13 GLY C C 13 175.776 175.776 174.260 1.516 17958 2587 1 14 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.684 1.887 17958 2588 1 14 . 1 1 13 13 GLY H H 13 8.216 8.216 7.378 0.838 17958 2589 1 14 . 1 1 14 14 LEU N N 14 121.346 121.346 119.786 1.560 17958 2590 1 14 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.230 0.082 17958 2591 1 14 . 1 1 14 14 LEU C C 14 178.624 178.624 177.550 1.074 17958 2592 1 14 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.743 -0.259 17958 2593 1 14 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.446 0.616 17958 2594 1 14 . 1 1 14 14 LEU H H 14 8.173 8.173 8.388 -0.215 17958 2595 1 14 . 1 1 15 15 SER N N 15 113.795 113.795 115.737 -1.942 17958 2596 1 14 . 1 1 15 15 SER HA H 15 4.385 4.385 4.292 0.093 17958 2597 1 14 . 1 1 15 15 SER C C 15 175.964 175.964 176.354 -0.390 17958 2598 1 14 . 1 1 15 15 SER CA C 15 61.201 61.201 61.439 -0.238 17958 2599 1 14 . 1 1 15 15 SER CB C 15 63.397 63.397 62.295 1.101 17958 2600 1 14 . 1 1 15 15 SER H H 15 7.945 7.945 8.374 -0.429 17958 2601 1 14 . 1 1 16 16 VAL N N 16 121.965 121.965 121.631 0.334 17958 2602 1 14 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.905 0.087 17958 2603 1 14 . 1 1 16 16 VAL C C 16 177.176 177.176 177.568 -0.392 17958 2604 1 14 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.390 1.029 17958 2605 1 14 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.371 0.643 17958 2606 1 14 . 1 1 16 16 VAL H H 16 7.913 7.913 8.061 -0.148 17958 2607 1 14 . 1 1 17 17 ASN N N 17 118.754 118.754 119.033 -0.279 17958 2608 1 14 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.539 0.093 17958 2609 1 14 . 1 1 17 17 ASN C C 17 176.930 176.930 177.314 -0.384 17958 2610 1 14 . 1 1 17 17 ASN CA C 17 55.856 55.856 57.201 -1.345 17958 2611 1 14 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.645 -0.011 17958 2612 1 14 . 1 1 17 17 ASN H H 17 8.001 8.001 8.751 -0.750 17958 2613 1 14 . 1 1 18 18 TRP N N 18 120.811 120.811 122.679 -1.868 17958 2614 1 14 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.418 0.057 17958 2615 1 14 . 1 1 18 18 TRP C C 18 177.778 177.778 178.051 -0.273 17958 2616 1 14 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.067 0.570 17958 2617 1 14 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.937 -1.097 17958 2618 1 14 . 1 1 18 18 TRP H H 18 8.408 8.408 8.439 -0.031 17958 2619 1 14 . 1 1 19 19 GLY N N 19 105.598 105.598 106.784 -1.186 17958 2620 1 14 . 1 1 19 19 GLY C C 19 177.037 177.037 175.930 1.107 17958 2621 1 14 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.175 0.038 17958 2622 1 14 . 1 1 19 19 GLY H H 19 8.395 8.395 8.281 0.114 17958 2623 1 14 . 1 1 20 20 GLU N N 20 121.656 121.656 121.952 -0.296 17958 2624 1 14 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.028 0.125 17958 2625 1 14 . 1 1 20 20 GLU C C 20 177.792 177.792 178.955 -1.163 17958 2626 1 14 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.245 -0.147 17958 2627 1 14 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.479 -1.553 17958 2628 1 14 . 1 1 20 20 GLU H H 20 8.345 8.345 7.876 0.469 17958 2629 1 14 . 1 1 21 21 ALA N N 21 122.688 122.688 121.891 0.797 17958 2630 1 14 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.048 0.058 17958 2631 1 14 . 1 1 21 21 ALA C C 21 180.552 180.552 179.554 0.998 17958 2632 1 14 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.728 0.602 17958 2633 1 14 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.230 -0.777 17958 2634 1 14 . 1 1 21 21 ALA H H 21 8.065 8.065 7.976 0.089 17958 2635 1 14 . 1 1 22 22 PHE N N 22 119.865 119.865 119.024 0.841 17958 2636 1 14 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.812 0.354 17958 2637 1 14 . 1 1 22 22 PHE C C 22 177.877 177.877 177.180 0.697 17958 2638 1 14 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.159 -0.056 17958 2639 1 14 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.019 -0.033 17958 2640 1 14 . 1 1 22 22 PHE H H 22 8.856 8.856 7.791 1.065 17958 2641 1 14 . 1 1 23 23 SER N N 23 113.333 113.333 114.993 -1.660 17958 2642 1 14 . 1 1 23 23 SER HA H 23 4.112 4.112 3.986 0.126 17958 2643 1 14 . 1 1 23 23 SER C C 23 177.301 177.301 176.602 0.699 17958 2644 1 14 . 1 1 23 23 SER CA C 23 61.555 61.555 61.467 0.088 17958 2645 1 14 . 1 1 23 23 SER CB C 23 63.024 63.024 62.916 0.108 17958 2646 1 14 . 1 1 23 23 SER H H 23 8.238 8.238 8.012 0.226 17958 2647 1 14 . 1 1 24 24 ALA N N 24 125.834 125.834 121.864 3.970 17958 2648 1 14 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.098 0.059 17958 2649 1 14 . 1 1 24 24 ALA C C 24 180.136 180.136 179.746 0.390 17958 2650 1 14 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.636 0.935 17958 2651 1 14 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.159 -0.739 17958 2652 1 14 . 1 1 24 24 ALA H H 24 8.437 8.437 7.433 1.004 17958 2653 1 14 . 1 1 25 25 GLY N N 25 106.183 106.183 106.882 -0.699 17958 2654 1 14 . 1 1 25 25 GLY C C 25 175.966 175.966 176.014 -0.048 17958 2655 1 14 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.535 0.569 17958 2656 1 14 . 1 1 25 25 GLY H H 25 8.038 8.038 7.568 0.470 17958 2657 1 14 . 1 1 26 26 VAL N N 26 120.836 120.836 122.718 -1.882 17958 2658 1 14 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.425 0.223 17958 2659 1 14 . 1 1 26 26 VAL C C 26 178.038 178.038 177.460 0.578 17958 2660 1 14 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.851 -0.282 17958 2661 1 14 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.166 0.390 17958 2662 1 14 . 1 1 26 26 VAL H H 26 8.093 8.093 7.748 0.345 17958 2663 1 14 . 1 1 27 27 HIS N N 27 115.116 115.116 118.986 -3.870 17958 2664 1 14 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.236 -0.014 17958 2665 1 14 . 1 1 27 27 HIS C C 27 176.446 176.446 177.496 -1.050 17958 2666 1 14 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.035 -0.332 17958 2667 1 14 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.952 -2.457 17958 2668 1 14 . 1 1 27 27 HIS H H 27 8.005 8.005 7.792 0.213 17958 2669 1 14 . 1 1 28 28 ARG N N 28 119.021 119.021 118.264 0.757 17958 2670 1 14 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.049 0.096 17958 2671 1 14 . 1 1 28 28 ARG C C 28 178.390 178.390 178.139 0.251 17958 2672 1 14 . 1 1 28 28 ARG CA C 28 59.211 59.211 59.187 0.024 17958 2673 1 14 . 1 1 28 28 ARG CB C 28 29.503 29.503 30.256 -0.753 17958 2674 1 14 . 1 1 28 28 ARG H H 28 8.090 8.090 7.396 0.694 17958 2675 1 14 . 1 1 29 29 LEU N N 29 120.208 120.208 118.749 1.459 17958 2676 1 14 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.096 0.061 17958 2677 1 14 . 1 1 29 29 LEU C C 29 179.176 179.176 178.173 1.003 17958 2678 1 14 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.230 0.216 17958 2679 1 14 . 1 1 29 29 LEU CB C 29 42.046 42.046 42.221 -0.175 17958 2680 1 14 . 1 1 29 29 LEU H H 29 8.057 8.057 7.875 0.182 17958 2681 1 14 . 1 1 30 30 ALA N N 30 120.604 120.604 119.937 0.667 17958 2682 1 14 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.017 0.180 17958 2683 1 14 . 1 1 30 30 ALA C C 30 178.350 178.350 177.927 0.423 17958 2684 1 14 . 1 1 30 30 ALA CA C 30 53.843 53.843 53.903 -0.060 17958 2685 1 14 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.864 -1.031 17958 2686 1 14 . 1 1 30 30 ALA H H 30 8.242 8.242 7.749 0.493 17958 2687 1 14 . 1 1 31 31 ASN N N 31 114.606 114.606 117.042 -2.436 17958 2688 1 14 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.554 0.204 17958 2689 1 14 . 1 1 31 31 ASN C C 31 175.996 175.996 175.434 0.562 17958 2690 1 14 . 1 1 31 31 ASN CA C 31 53.339 53.339 52.729 0.610 17958 2691 1 14 . 1 1 31 31 ASN CB C 31 39.096 39.096 37.278 1.818 17958 2692 1 14 . 1 1 31 31 ASN H H 31 7.798 7.798 7.393 0.405 17958 2693 1 14 . 1 1 32 32 GLY N N 32 106.804 106.804 111.334 -4.530 17958 2694 1 14 . 1 1 32 32 GLY C C 32 174.824 174.824 174.193 0.631 17958 2695 1 14 . 1 1 32 32 GLY CA C 32 45.902 45.902 44.928 0.974 17958 2696 1 14 . 1 1 32 32 GLY H H 32 8.021 8.021 7.769 0.252 17958 2697 1 14 . 1 1 33 33 GLY N N 33 107.126 107.126 110.198 -3.072 17958 2698 1 14 . 1 1 33 33 GLY C C 33 173.800 173.800 173.755 0.045 17958 2699 1 14 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.623 0.789 17958 2700 1 14 . 1 1 33 33 GLY H H 33 8.156 8.156 7.840 0.316 17958 2701 1 14 . 1 1 34 34 ASN N N 34 116.972 116.972 121.955 -4.983 17958 2702 1 14 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.669 0.070 17958 2703 1 14 . 1 1 34 34 ASN C C 34 175.053 175.053 176.372 -1.319 17958 2704 1 14 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.933 -0.763 17958 2705 1 14 . 1 1 34 34 ASN CB C 34 38.857 38.857 38.796 0.061 17958 2706 1 14 . 1 1 34 34 ASN H H 34 7.777 7.777 8.361 -0.584 17958 2707 1 14 . 1 1 35 35 GLY N N 35 106.758 106.758 109.470 -2.712 17958 2708 1 14 . 1 1 35 35 GLY C C 35 173.201 173.201 174.096 -0.895 17958 2709 1 14 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.394 0.671 17958 2710 1 14 . 1 1 35 35 GLY H H 35 7.875 7.875 7.620 0.255 17958 2711 1 14 . 1 1 36 36 PHE N N 36 118.486 118.486 116.346 2.140 17958 2712 1 14 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.424 0.156 17958 2713 1 14 . 1 1 36 36 PHE C C 36 174.925 174.925 174.898 0.027 17958 2714 1 14 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.842 0.133 17958 2715 1 14 . 1 1 36 36 PHE CB C 36 39.542 39.542 38.271 1.271 17958 2716 1 14 . 1 1 36 36 PHE H H 36 7.537 7.537 7.935 -0.398 17958 2717 1 15 . 1 1 2 2 TYR N N 2 121.377 121.377 121.421 -0.044 17958 2718 1 15 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.514 0.071 17958 2719 1 15 . 1 1 2 2 TYR C C 2 174.972 174.972 175.609 -0.637 17958 2720 1 15 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.136 0.983 17958 2721 1 15 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.697 1.268 17958 2722 1 15 . 1 1 2 2 TYR H H 2 8.202 8.202 7.908 0.294 17958 2723 1 15 . 1 1 3 3 TYR N N 3 122.159 122.159 123.929 -1.770 17958 2724 1 15 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.476 0.046 17958 2725 1 15 . 1 1 3 3 TYR C C 3 175.832 175.832 176.787 -0.955 17958 2726 1 15 . 1 1 3 3 TYR CA C 3 58.105 58.105 59.274 -1.169 17958 2727 1 15 . 1 1 3 3 TYR CB C 3 38.683 38.683 39.232 -0.549 17958 2728 1 15 . 1 1 3 3 TYR H H 3 7.680 7.680 8.982 -1.302 17958 2729 1 15 . 1 1 4 4 GLY N N 4 106.493 106.493 105.588 0.905 17958 2730 1 15 . 1 1 4 4 GLY C C 4 173.959 173.959 174.077 -0.118 17958 2731 1 15 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.082 0.651 17958 2732 1 15 . 1 1 4 4 GLY H H 4 6.940 6.940 8.679 -1.739 17958 2733 1 15 . 1 1 5 5 ASN N N 5 117.075 117.075 122.110 -5.035 17958 2734 1 15 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.654 0.070 17958 2735 1 15 . 1 1 5 5 ASN C C 5 176.312 176.312 174.814 1.498 17958 2736 1 15 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.008 1.285 17958 2737 1 15 . 1 1 5 5 ASN CB C 5 38.349 38.349 37.610 0.739 17958 2738 1 15 . 1 1 5 5 ASN H H 5 7.973 7.973 8.319 -0.346 17958 2739 1 15 . 1 1 6 6 GLY N N 6 107.279 107.279 109.415 -2.136 17958 2740 1 15 . 1 1 6 6 GLY C C 6 175.528 175.528 174.538 0.990 17958 2741 1 15 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.297 2.226 17958 2742 1 15 . 1 1 6 6 GLY H H 6 8.279 8.279 8.145 0.134 17958 2743 1 15 . 1 1 7 7 VAL N N 7 121.566 121.566 120.401 1.165 17958 2744 1 15 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.667 0.175 17958 2745 1 15 . 1 1 7 7 VAL C C 7 177.059 177.059 176.881 0.178 17958 2746 1 15 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.285 1.309 17958 2747 1 15 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.545 0.478 17958 2748 1 15 . 1 1 7 7 VAL H H 7 7.835 7.835 6.887 0.948 17958 2749 1 15 . 1 1 8 8 HIS N N 8 117.806 117.806 118.309 -0.503 17958 2750 1 15 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.415 0.111 17958 2751 1 15 . 1 1 8 8 HIS C C 8 176.479 176.479 177.572 -1.093 17958 2752 1 15 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.718 -1.766 17958 2753 1 15 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.615 -1.264 17958 2754 1 15 . 1 1 8 8 HIS H H 8 8.093 8.093 8.229 -0.136 17958 2755 1 15 . 1 1 9 9 LEU N N 9 120.856 120.856 119.353 1.503 17958 2756 1 15 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.145 0.089 17958 2757 1 15 . 1 1 9 9 LEU C C 9 178.449 178.449 177.596 0.853 17958 2758 1 15 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.328 0.453 17958 2759 1 15 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.679 0.575 17958 2760 1 15 . 1 1 9 9 LEU H H 9 8.255 8.255 8.166 0.089 17958 2761 1 15 . 1 1 10 10 THR N N 10 113.948 113.948 115.623 -1.675 17958 2762 1 15 . 1 1 10 10 THR HA H 10 4.194 4.194 3.932 0.262 17958 2763 1 15 . 1 1 10 10 THR C C 10 175.671 175.671 176.339 -0.668 17958 2764 1 15 . 1 1 10 10 THR CA C 10 65.157 65.157 66.684 -1.527 17958 2765 1 15 . 1 1 10 10 THR CB C 10 69.850 69.850 68.679 1.171 17958 2766 1 15 . 1 1 10 10 THR H H 10 8.008 8.008 7.252 0.756 17958 2767 1 15 . 1 1 11 11 LYS N N 11 120.215 120.215 120.555 -0.340 17958 2768 1 15 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.115 0.067 17958 2769 1 15 . 1 1 11 11 LYS C C 11 178.448 178.448 179.136 -0.688 17958 2770 1 15 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.597 0.507 17958 2771 1 15 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.279 -0.114 17958 2772 1 15 . 1 1 11 11 LYS H H 11 8.312 8.312 7.771 0.541 17958 2773 1 15 . 1 1 12 12 SER N N 12 114.597 114.597 113.562 1.035 17958 2774 1 15 . 1 1 12 12 SER HA H 12 4.318 4.318 4.317 0.001 17958 2775 1 15 . 1 1 12 12 SER C C 12 175.635 175.635 174.945 0.690 17958 2776 1 15 . 1 1 12 12 SER CA C 12 61.156 61.156 60.423 0.733 17958 2777 1 15 . 1 1 12 12 SER CB C 12 63.074 63.074 63.984 -0.910 17958 2778 1 15 . 1 1 12 12 SER H H 12 8.068 8.068 8.076 -0.008 17958 2779 1 15 . 1 1 13 13 GLY N N 13 109.563 109.563 108.324 1.239 17958 2780 1 15 . 1 1 13 13 GLY C C 13 175.776 175.776 174.875 0.901 17958 2781 1 15 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.763 1.808 17958 2782 1 15 . 1 1 13 13 GLY H H 13 8.216 8.216 7.419 0.797 17958 2783 1 15 . 1 1 14 14 LEU N N 14 121.346 121.346 119.289 2.057 17958 2784 1 15 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.224 0.088 17958 2785 1 15 . 1 1 14 14 LEU C C 14 178.624 178.624 177.881 0.743 17958 2786 1 15 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.548 -0.064 17958 2787 1 15 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.573 0.488 17958 2788 1 15 . 1 1 14 14 LEU H H 14 8.173 8.173 8.366 -0.193 17958 2789 1 15 . 1 1 15 15 SER N N 15 113.795 113.795 115.758 -1.963 17958 2790 1 15 . 1 1 15 15 SER HA H 15 4.385 4.385 4.248 0.137 17958 2791 1 15 . 1 1 15 15 SER C C 15 175.964 175.964 176.193 -0.229 17958 2792 1 15 . 1 1 15 15 SER CA C 15 61.201 61.201 61.764 -0.563 17958 2793 1 15 . 1 1 15 15 SER CB C 15 63.397 63.397 62.341 1.056 17958 2794 1 15 . 1 1 15 15 SER H H 15 7.945 7.945 8.141 -0.196 17958 2795 1 15 . 1 1 16 16 VAL N N 16 121.965 121.965 121.672 0.293 17958 2796 1 15 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.832 0.160 17958 2797 1 15 . 1 1 16 16 VAL C C 16 177.176 177.176 176.351 0.825 17958 2798 1 15 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.680 0.739 17958 2799 1 15 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.580 0.434 17958 2800 1 15 . 1 1 16 16 VAL H H 16 7.913 7.913 8.181 -0.268 17958 2801 1 15 . 1 1 17 17 ASN N N 17 118.754 118.754 118.715 0.039 17958 2802 1 15 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.555 0.077 17958 2803 1 15 . 1 1 17 17 ASN C C 17 176.930 176.930 176.921 0.009 17958 2804 1 15 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.422 -0.566 17958 2805 1 15 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.609 0.025 17958 2806 1 15 . 1 1 17 17 ASN H H 17 8.001 8.001 7.966 0.035 17958 2807 1 15 . 1 1 18 18 TRP N N 18 120.811 120.811 122.359 -1.548 17958 2808 1 15 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.422 0.053 17958 2809 1 15 . 1 1 18 18 TRP C C 18 177.778 177.778 178.052 -0.274 17958 2810 1 15 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.131 -0.494 17958 2811 1 15 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.188 -0.347 17958 2812 1 15 . 1 1 18 18 TRP H H 18 8.408 8.408 7.713 0.695 17958 2813 1 15 . 1 1 19 19 GLY N N 19 105.598 105.598 105.884 -0.286 17958 2814 1 15 . 1 1 19 19 GLY C C 19 177.037 177.037 176.159 0.878 17958 2815 1 15 . 1 1 19 19 GLY CA C 19 47.213 47.213 46.959 0.254 17958 2816 1 15 . 1 1 19 19 GLY H H 19 8.395 8.395 7.952 0.443 17958 2817 1 15 . 1 1 20 20 GLU N N 20 121.656 121.656 122.012 -0.356 17958 2818 1 15 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.043 0.110 17958 2819 1 15 . 1 1 20 20 GLU C C 20 177.792 177.792 178.987 -1.195 17958 2820 1 15 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.163 -0.064 17958 2821 1 15 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.496 -1.570 17958 2822 1 15 . 1 1 20 20 GLU H H 20 8.345 8.345 7.634 0.711 17958 2823 1 15 . 1 1 21 21 ALA N N 21 122.688 122.688 122.030 0.658 17958 2824 1 15 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.134 -0.028 17958 2825 1 15 . 1 1 21 21 ALA C C 21 180.552 180.552 179.729 0.823 17958 2826 1 15 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.886 0.444 17958 2827 1 15 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.395 -0.942 17958 2828 1 15 . 1 1 21 21 ALA H H 21 8.065 8.065 8.281 -0.216 17958 2829 1 15 . 1 1 22 22 PHE N N 22 119.865 119.865 118.847 1.018 17958 2830 1 15 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.127 0.039 17958 2831 1 15 . 1 1 22 22 PHE C C 22 177.877 177.877 177.170 0.707 17958 2832 1 15 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.342 -0.239 17958 2833 1 15 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.194 -0.208 17958 2834 1 15 . 1 1 22 22 PHE H H 22 8.856 8.856 7.995 0.861 17958 2835 1 15 . 1 1 23 23 SER N N 23 113.333 113.333 115.190 -1.857 17958 2836 1 15 . 1 1 23 23 SER HA H 23 4.112 4.112 4.073 0.039 17958 2837 1 15 . 1 1 23 23 SER C C 23 177.301 177.301 176.425 0.876 17958 2838 1 15 . 1 1 23 23 SER CA C 23 61.555 61.555 61.703 -0.148 17958 2839 1 15 . 1 1 23 23 SER CB C 23 63.024 63.024 62.364 0.660 17958 2840 1 15 . 1 1 23 23 SER H H 23 8.238 8.238 8.105 0.133 17958 2841 1 15 . 1 1 24 24 ALA N N 24 125.834 125.834 124.104 1.730 17958 2842 1 15 . 1 1 24 24 ALA HA H 24 4.157 4.157 3.941 0.216 17958 2843 1 15 . 1 1 24 24 ALA C C 24 180.136 180.136 179.520 0.616 17958 2844 1 15 . 1 1 24 24 ALA CA C 24 55.571 55.571 55.167 0.404 17958 2845 1 15 . 1 1 24 24 ALA CB C 24 17.420 17.420 17.961 -0.541 17958 2846 1 15 . 1 1 24 24 ALA H H 24 8.437 8.437 7.468 0.969 17958 2847 1 15 . 1 1 25 25 GLY N N 25 106.183 106.183 106.466 -0.283 17958 2848 1 15 . 1 1 25 25 GLY C C 25 175.966 175.966 176.212 -0.246 17958 2849 1 15 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.850 0.254 17958 2850 1 15 . 1 1 25 25 GLY H H 25 8.038 8.038 7.525 0.513 17958 2851 1 15 . 1 1 26 26 VAL N N 26 120.836 120.836 122.659 -1.823 17958 2852 1 15 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.471 0.177 17958 2853 1 15 . 1 1 26 26 VAL C C 26 178.038 178.038 177.496 0.542 17958 2854 1 15 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.669 -0.100 17958 2855 1 15 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.010 0.546 17958 2856 1 15 . 1 1 26 26 VAL H H 26 8.093 8.093 7.420 0.673 17958 2857 1 15 . 1 1 27 27 HIS N N 27 115.116 115.116 119.352 -4.236 17958 2858 1 15 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.262 -0.040 17958 2859 1 15 . 1 1 27 27 HIS C C 27 176.446 176.446 177.594 -1.148 17958 2860 1 15 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.538 -0.835 17958 2861 1 15 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.116 -2.621 17958 2862 1 15 . 1 1 27 27 HIS H H 27 8.005 8.005 8.141 -0.136 17958 2863 1 15 . 1 1 28 28 ARG N N 28 119.021 119.021 119.127 -0.106 17958 2864 1 15 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.141 0.004 17958 2865 1 15 . 1 1 28 28 ARG C C 28 178.390 178.390 178.757 -0.367 17958 2866 1 15 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.403 0.808 17958 2867 1 15 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.641 -0.138 17958 2868 1 15 . 1 1 28 28 ARG H H 28 8.090 8.090 7.505 0.585 17958 2869 1 15 . 1 1 29 29 LEU N N 29 120.208 120.208 119.450 0.758 17958 2870 1 15 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.978 0.179 17958 2871 1 15 . 1 1 29 29 LEU C C 29 179.176 179.176 177.576 1.600 17958 2872 1 15 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.473 -0.027 17958 2873 1 15 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.779 0.267 17958 2874 1 15 . 1 1 29 29 LEU H H 29 8.057 8.057 7.950 0.107 17958 2875 1 15 . 1 1 30 30 ALA N N 30 120.604 120.604 118.987 1.617 17958 2876 1 15 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.018 0.179 17958 2877 1 15 . 1 1 30 30 ALA C C 30 178.350 178.350 178.706 -0.356 17958 2878 1 15 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.404 -0.561 17958 2879 1 15 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.487 -0.654 17958 2880 1 15 . 1 1 30 30 ALA H H 30 8.242 8.242 7.564 0.678 17958 2881 1 15 . 1 1 31 31 ASN N N 31 114.606 114.606 117.204 -2.598 17958 2882 1 15 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.670 0.088 17958 2883 1 15 . 1 1 31 31 ASN C C 31 175.996 175.996 176.942 -0.946 17958 2884 1 15 . 1 1 31 31 ASN CA C 31 53.339 53.339 54.520 -1.181 17958 2885 1 15 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.584 -0.488 17958 2886 1 15 . 1 1 31 31 ASN H H 31 7.798 7.798 7.624 0.174 17958 2887 1 15 . 1 1 32 32 GLY N N 32 106.804 106.804 107.466 -0.662 17958 2888 1 15 . 1 1 32 32 GLY C C 32 174.824 174.824 174.985 -0.161 17958 2889 1 15 . 1 1 32 32 GLY CA C 32 45.902 45.902 44.974 0.928 17958 2890 1 15 . 1 1 32 32 GLY H H 32 8.021 8.021 7.876 0.145 17958 2891 1 15 . 1 1 33 33 GLY N N 33 107.126 107.126 109.143 -2.017 17958 2892 1 15 . 1 1 33 33 GLY C C 33 173.800 173.800 174.218 -0.418 17958 2893 1 15 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.967 0.445 17958 2894 1 15 . 1 1 33 33 GLY H H 33 8.156 8.156 8.371 -0.215 17958 2895 1 15 . 1 1 34 34 ASN N N 34 116.972 116.972 119.395 -2.423 17958 2896 1 15 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.774 -0.035 17958 2897 1 15 . 1 1 34 34 ASN C C 34 175.053 175.053 175.359 -0.306 17958 2898 1 15 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.043 0.127 17958 2899 1 15 . 1 1 34 34 ASN CB C 34 38.857 38.857 37.812 1.045 17958 2900 1 15 . 1 1 34 34 ASN H H 34 7.777 7.777 8.411 -0.634 17958 2901 1 15 . 1 1 35 35 GLY N N 35 106.758 106.758 110.495 -3.737 17958 2902 1 15 . 1 1 35 35 GLY C C 35 173.201 173.201 174.098 -0.897 17958 2903 1 15 . 1 1 35 35 GLY CA C 35 45.065 45.065 45.239 -0.174 17958 2904 1 15 . 1 1 35 35 GLY H H 35 7.875 7.875 8.254 -0.379 17958 2905 1 15 . 1 1 36 36 PHE N N 36 118.486 118.486 120.440 -1.954 17958 2906 1 15 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.917 -0.337 17958 2907 1 15 . 1 1 36 36 PHE C C 36 174.925 174.925 175.974 -1.049 17958 2908 1 15 . 1 1 36 36 PHE CA C 36 57.975 57.975 58.788 -0.813 17958 2909 1 15 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.311 0.231 17958 2910 1 15 . 1 1 36 36 PHE H H 36 7.537 7.537 8.637 -1.100 17958 2911 1 16 . 1 1 2 2 TYR N N 2 121.377 121.377 120.590 0.787 17958 2912 1 16 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.563 0.022 17958 2913 1 16 . 1 1 2 2 TYR C C 2 174.972 174.972 176.584 -1.612 17958 2914 1 16 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.002 1.117 17958 2915 1 16 . 1 1 2 2 TYR CB C 2 38.965 38.965 38.899 0.066 17958 2916 1 16 . 1 1 2 2 TYR H H 2 8.202 8.202 7.614 0.588 17958 2917 1 16 . 1 1 3 3 TYR N N 3 122.159 122.159 126.731 -4.572 17958 2918 1 16 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.464 0.058 17958 2919 1 16 . 1 1 3 3 TYR C C 3 175.832 175.832 176.136 -0.304 17958 2920 1 16 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.713 0.392 17958 2921 1 16 . 1 1 3 3 TYR CB C 3 38.683 38.683 36.406 2.277 17958 2922 1 16 . 1 1 3 3 TYR H H 3 7.680 7.680 9.047 -1.367 17958 2923 1 16 . 1 1 4 4 GLY N N 4 106.493 106.493 110.469 -3.976 17958 2924 1 16 . 1 1 4 4 GLY C C 4 173.959 173.959 174.634 -0.675 17958 2925 1 16 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.132 0.601 17958 2926 1 16 . 1 1 4 4 GLY H H 4 6.940 6.940 7.865 -0.925 17958 2927 1 16 . 1 1 5 5 ASN N N 5 117.075 117.075 122.332 -5.257 17958 2928 1 16 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.685 0.039 17958 2929 1 16 . 1 1 5 5 ASN C C 5 176.312 176.312 175.717 0.595 17958 2930 1 16 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.798 0.495 17958 2931 1 16 . 1 1 5 5 ASN CB C 5 38.349 38.349 39.197 -0.848 17958 2932 1 16 . 1 1 5 5 ASN H H 5 7.973 7.973 8.730 -0.757 17958 2933 1 16 . 1 1 6 6 GLY N N 6 107.279 107.279 108.031 -0.752 17958 2934 1 16 . 1 1 6 6 GLY C C 6 175.528 175.528 174.961 0.567 17958 2935 1 16 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.825 1.698 17958 2936 1 16 . 1 1 6 6 GLY H H 6 8.279 8.279 8.294 -0.015 17958 2937 1 16 . 1 1 7 7 VAL N N 7 121.566 121.566 120.854 0.712 17958 2938 1 16 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.719 0.123 17958 2939 1 16 . 1 1 7 7 VAL C C 7 177.059 177.059 176.995 0.064 17958 2940 1 16 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.437 1.157 17958 2941 1 16 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.800 0.223 17958 2942 1 16 . 1 1 7 7 VAL H H 7 7.835 7.835 8.139 -0.304 17958 2943 1 16 . 1 1 8 8 HIS N N 8 117.806 117.806 119.437 -1.631 17958 2944 1 16 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.547 -0.021 17958 2945 1 16 . 1 1 8 8 HIS C C 8 176.479 176.479 177.758 -1.279 17958 2946 1 16 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.803 -0.851 17958 2947 1 16 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.755 -1.404 17958 2948 1 16 . 1 1 8 8 HIS H H 8 8.093 8.093 8.386 -0.293 17958 2949 1 16 . 1 1 9 9 LEU N N 9 120.856 120.856 118.714 2.142 17958 2950 1 16 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.248 -0.014 17958 2951 1 16 . 1 1 9 9 LEU C C 9 178.449 178.449 177.924 0.525 17958 2952 1 16 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.239 0.542 17958 2953 1 16 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.891 0.363 17958 2954 1 16 . 1 1 9 9 LEU H H 9 8.255 8.255 8.346 -0.091 17958 2955 1 16 . 1 1 10 10 THR N N 10 113.948 113.948 115.527 -1.579 17958 2956 1 16 . 1 1 10 10 THR HA H 10 4.194 4.194 3.966 0.228 17958 2957 1 16 . 1 1 10 10 THR C C 10 175.671 175.671 176.332 -0.661 17958 2958 1 16 . 1 1 10 10 THR CA C 10 65.157 65.157 66.809 -1.652 17958 2959 1 16 . 1 1 10 10 THR CB C 10 69.850 69.850 68.722 1.129 17958 2960 1 16 . 1 1 10 10 THR H H 10 8.008 8.008 7.336 0.672 17958 2961 1 16 . 1 1 11 11 LYS N N 11 120.215 120.215 120.532 -0.317 17958 2962 1 16 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.125 0.057 17958 2963 1 16 . 1 1 11 11 LYS C C 11 178.448 178.448 178.861 -0.413 17958 2964 1 16 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.582 0.522 17958 2965 1 16 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.172 -0.007 17958 2966 1 16 . 1 1 11 11 LYS H H 11 8.312 8.312 7.805 0.507 17958 2967 1 16 . 1 1 12 12 SER N N 12 114.597 114.597 113.705 0.892 17958 2968 1 16 . 1 1 12 12 SER HA H 12 4.318 4.318 4.342 -0.024 17958 2969 1 16 . 1 1 12 12 SER C C 12 175.635 175.635 174.737 0.898 17958 2970 1 16 . 1 1 12 12 SER CA C 12 61.156 61.156 59.631 1.525 17958 2971 1 16 . 1 1 12 12 SER CB C 12 63.074 63.074 64.053 -0.979 17958 2972 1 16 . 1 1 12 12 SER H H 12 8.068 8.068 8.099 -0.031 17958 2973 1 16 . 1 1 13 13 GLY N N 13 109.563 109.563 108.354 1.209 17958 2974 1 16 . 1 1 13 13 GLY C C 13 175.776 175.776 174.720 1.056 17958 2975 1 16 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.708 1.863 17958 2976 1 16 . 1 1 13 13 GLY H H 13 8.216 8.216 7.447 0.769 17958 2977 1 16 . 1 1 14 14 LEU N N 14 121.346 121.346 120.096 1.250 17958 2978 1 16 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.182 0.130 17958 2979 1 16 . 1 1 14 14 LEU C C 14 178.624 178.624 177.826 0.798 17958 2980 1 16 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.685 -0.201 17958 2981 1 16 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.487 0.574 17958 2982 1 16 . 1 1 14 14 LEU H H 14 8.173 8.173 8.363 -0.190 17958 2983 1 16 . 1 1 15 15 SER N N 15 113.795 113.795 114.054 -0.259 17958 2984 1 16 . 1 1 15 15 SER HA H 15 4.385 4.385 4.196 0.189 17958 2985 1 16 . 1 1 15 15 SER C C 15 175.964 175.964 176.300 -0.336 17958 2986 1 16 . 1 1 15 15 SER CA C 15 61.201 61.201 60.794 0.407 17958 2987 1 16 . 1 1 15 15 SER CB C 15 63.397 63.397 62.416 0.981 17958 2988 1 16 . 1 1 15 15 SER H H 15 7.945 7.945 8.026 -0.081 17958 2989 1 16 . 1 1 16 16 VAL N N 16 121.965 121.965 121.857 0.108 17958 2990 1 16 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.919 0.073 17958 2991 1 16 . 1 1 16 16 VAL C C 16 177.176 177.176 176.391 0.785 17958 2992 1 16 . 1 1 16 16 VAL CA C 16 65.419 65.419 63.513 1.906 17958 2993 1 16 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.485 0.528 17958 2994 1 16 . 1 1 16 16 VAL H H 16 7.913 7.913 8.126 -0.213 17958 2995 1 16 . 1 1 17 17 ASN N N 17 118.754 118.754 118.314 0.440 17958 2996 1 16 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.586 0.046 17958 2997 1 16 . 1 1 17 17 ASN C C 17 176.930 176.930 176.614 0.316 17958 2998 1 16 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.455 -0.599 17958 2999 1 16 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.554 0.081 17958 3000 1 16 . 1 1 17 17 ASN H H 17 8.001 8.001 8.030 -0.029 17958 3001 1 16 . 1 1 18 18 TRP N N 18 120.811 120.811 122.346 -1.535 17958 3002 1 16 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.383 0.092 17958 3003 1 16 . 1 1 18 18 TRP C C 18 177.778 177.778 178.136 -0.358 17958 3004 1 16 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.932 -1.296 17958 3005 1 16 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.337 -0.497 17958 3006 1 16 . 1 1 18 18 TRP H H 18 8.408 8.408 7.727 0.681 17958 3007 1 16 . 1 1 19 19 GLY N N 19 105.598 105.598 105.446 0.152 17958 3008 1 16 . 1 1 19 19 GLY C C 19 177.037 177.037 176.193 0.844 17958 3009 1 16 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.067 0.146 17958 3010 1 16 . 1 1 19 19 GLY H H 19 8.395 8.395 8.252 0.143 17958 3011 1 16 . 1 1 20 20 GLU N N 20 121.656 121.656 122.115 -0.459 17958 3012 1 16 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.033 0.120 17958 3013 1 16 . 1 1 20 20 GLU C C 20 177.792 177.792 178.922 -1.130 17958 3014 1 16 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.031 0.067 17958 3015 1 16 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.752 -1.826 17958 3016 1 16 . 1 1 20 20 GLU H H 20 8.345 8.345 7.646 0.699 17958 3017 1 16 . 1 1 21 21 ALA N N 21 122.688 122.688 122.217 0.471 17958 3018 1 16 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.123 -0.017 17958 3019 1 16 . 1 1 21 21 ALA C C 21 180.552 180.552 179.560 0.992 17958 3020 1 16 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.861 0.469 17958 3021 1 16 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.375 -0.922 17958 3022 1 16 . 1 1 21 21 ALA H H 21 8.065 8.065 8.306 -0.241 17958 3023 1 16 . 1 1 22 22 PHE N N 22 119.865 119.865 119.174 0.691 17958 3024 1 16 . 1 1 22 22 PHE HA H 22 4.166 4.166 3.998 0.168 17958 3025 1 16 . 1 1 22 22 PHE C C 22 177.877 177.877 176.952 0.925 17958 3026 1 16 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.009 1.094 17958 3027 1 16 . 1 1 22 22 PHE CB C 22 38.986 38.986 38.989 -0.003 17958 3028 1 16 . 1 1 22 22 PHE H H 22 8.856 8.856 8.009 0.847 17958 3029 1 16 . 1 1 23 23 SER N N 23 113.333 113.333 115.554 -2.221 17958 3030 1 16 . 1 1 23 23 SER HA H 23 4.112 4.112 3.925 0.187 17958 3031 1 16 . 1 1 23 23 SER C C 23 177.301 177.301 176.621 0.680 17958 3032 1 16 . 1 1 23 23 SER CA C 23 61.555 61.555 61.787 -0.232 17958 3033 1 16 . 1 1 23 23 SER CB C 23 63.024 63.024 63.025 -0.001 17958 3034 1 16 . 1 1 23 23 SER H H 23 8.238 8.238 8.033 0.205 17958 3035 1 16 . 1 1 24 24 ALA N N 24 125.834 125.834 122.694 3.140 17958 3036 1 16 . 1 1 24 24 ALA HA H 24 4.157 4.157 3.997 0.160 17958 3037 1 16 . 1 1 24 24 ALA C C 24 180.136 180.136 179.454 0.682 17958 3038 1 16 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.626 0.945 17958 3039 1 16 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.172 -0.752 17958 3040 1 16 . 1 1 24 24 ALA H H 24 8.437 8.437 7.479 0.958 17958 3041 1 16 . 1 1 25 25 GLY N N 25 106.183 106.183 107.292 -1.109 17958 3042 1 16 . 1 1 25 25 GLY C C 25 175.966 175.966 176.174 -0.208 17958 3043 1 16 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.646 0.458 17958 3044 1 16 . 1 1 25 25 GLY H H 25 8.038 8.038 7.443 0.595 17958 3045 1 16 . 1 1 26 26 VAL N N 26 120.836 120.836 122.409 -1.573 17958 3046 1 16 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.398 0.250 17958 3047 1 16 . 1 1 26 26 VAL C C 26 178.038 178.038 177.200 0.838 17958 3048 1 16 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.543 0.026 17958 3049 1 16 . 1 1 26 26 VAL CB C 26 31.556 31.556 30.801 0.755 17958 3050 1 16 . 1 1 26 26 VAL H H 26 8.093 8.093 7.437 0.656 17958 3051 1 16 . 1 1 27 27 HIS N N 27 115.116 115.116 119.207 -4.091 17958 3052 1 16 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.173 0.049 17958 3053 1 16 . 1 1 27 27 HIS C C 27 176.446 176.446 177.278 -0.832 17958 3054 1 16 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.448 -0.745 17958 3055 1 16 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.100 -2.605 17958 3056 1 16 . 1 1 27 27 HIS H H 27 8.005 8.005 7.954 0.051 17958 3057 1 16 . 1 1 28 28 ARG N N 28 119.021 119.021 119.473 -0.452 17958 3058 1 16 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.194 -0.049 17958 3059 1 16 . 1 1 28 28 ARG C C 28 178.390 178.390 178.384 0.006 17958 3060 1 16 . 1 1 28 28 ARG CA C 28 59.211 59.211 57.886 1.325 17958 3061 1 16 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.550 -0.047 17958 3062 1 16 . 1 1 28 28 ARG H H 28 8.090 8.090 7.568 0.522 17958 3063 1 16 . 1 1 29 29 LEU N N 29 120.208 120.208 120.766 -0.558 17958 3064 1 16 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.989 0.168 17958 3065 1 16 . 1 1 29 29 LEU C C 29 179.176 179.176 178.071 1.105 17958 3066 1 16 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.463 -0.017 17958 3067 1 16 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.874 0.172 17958 3068 1 16 . 1 1 29 29 LEU H H 29 8.057 8.057 7.535 0.522 17958 3069 1 16 . 1 1 30 30 ALA N N 30 120.604 120.604 118.918 1.686 17958 3070 1 16 . 1 1 30 30 ALA HA H 30 4.197 4.197 3.950 0.247 17958 3071 1 16 . 1 1 30 30 ALA C C 30 178.350 178.350 179.239 -0.889 17958 3072 1 16 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.444 -0.601 17958 3073 1 16 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.468 -0.635 17958 3074 1 16 . 1 1 30 30 ALA H H 30 8.242 8.242 7.717 0.525 17958 3075 1 16 . 1 1 31 31 ASN N N 31 114.606 114.606 115.696 -1.090 17958 3076 1 16 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.696 0.062 17958 3077 1 16 . 1 1 31 31 ASN C C 31 175.996 175.996 175.488 0.508 17958 3078 1 16 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.438 -0.099 17958 3079 1 16 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.479 -0.383 17958 3080 1 16 . 1 1 31 31 ASN H H 31 7.798 7.798 7.710 0.088 17958 3081 1 16 . 1 1 32 32 GLY N N 32 106.804 106.804 105.619 1.185 17958 3082 1 16 . 1 1 32 32 GLY C C 32 174.824 174.824 173.231 1.593 17958 3083 1 16 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.201 0.701 17958 3084 1 16 . 1 1 32 32 GLY H H 32 8.021 8.021 8.024 -0.003 17958 3085 1 16 . 1 1 33 33 GLY N N 33 107.126 107.126 110.914 -3.788 17958 3086 1 16 . 1 1 33 33 GLY C C 33 173.800 173.800 173.870 -0.070 17958 3087 1 16 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.698 0.714 17958 3088 1 16 . 1 1 33 33 GLY H H 33 8.156 8.156 8.624 -0.468 17958 3089 1 16 . 1 1 34 34 ASN N N 34 116.972 116.972 122.885 -5.913 17958 3090 1 16 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.851 -0.112 17958 3091 1 16 . 1 1 34 34 ASN C C 34 175.053 175.053 174.652 0.401 17958 3092 1 16 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.208 -0.038 17958 3093 1 16 . 1 1 34 34 ASN CB C 34 38.857 38.857 40.313 -1.456 17958 3094 1 16 . 1 1 34 34 ASN H H 34 7.777 7.777 7.694 0.083 17958 3095 1 16 . 1 1 35 35 GLY N N 35 106.758 106.758 109.862 -3.104 17958 3096 1 16 . 1 1 35 35 GLY C C 35 173.201 173.201 172.870 0.331 17958 3097 1 16 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.910 0.155 17958 3098 1 16 . 1 1 35 35 GLY H H 35 7.875 7.875 8.056 -0.181 17958 3099 1 16 . 1 1 36 36 PHE N N 36 118.486 118.486 119.587 -1.101 17958 3100 1 16 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.927 -0.347 17958 3101 1 16 . 1 1 36 36 PHE C C 36 174.925 174.925 176.141 -1.216 17958 3102 1 16 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.743 0.232 17958 3103 1 16 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.894 -0.352 17958 3104 1 16 . 1 1 36 36 PHE H H 36 7.537 7.537 8.058 -0.521 17958 3105 1 17 . 1 1 2 2 TYR N N 2 121.377 121.377 123.087 -1.710 17958 3106 1 17 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.512 0.073 17958 3107 1 17 . 1 1 2 2 TYR C C 2 174.972 174.972 174.095 0.877 17958 3108 1 17 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.583 0.536 17958 3109 1 17 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.787 1.178 17958 3110 1 17 . 1 1 2 2 TYR H H 2 8.202 8.202 8.305 -0.103 17958 3111 1 17 . 1 1 3 3 TYR N N 3 122.159 122.159 120.909 1.250 17958 3112 1 17 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.609 -0.087 17958 3113 1 17 . 1 1 3 3 TYR C C 3 175.832 175.832 174.619 1.213 17958 3114 1 17 . 1 1 3 3 TYR CA C 3 58.105 58.105 58.232 -0.127 17958 3115 1 17 . 1 1 3 3 TYR CB C 3 38.683 38.683 40.266 -1.583 17958 3116 1 17 . 1 1 3 3 TYR H H 3 7.680 7.680 7.618 0.062 17958 3117 1 17 . 1 1 4 4 GLY N N 4 106.493 106.493 110.830 -4.337 17958 3118 1 17 . 1 1 4 4 GLY C C 4 173.959 173.959 173.955 0.004 17958 3119 1 17 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.543 0.190 17958 3120 1 17 . 1 1 4 4 GLY H H 4 6.940 6.940 8.181 -1.241 17958 3121 1 17 . 1 1 5 5 ASN N N 5 117.075 117.075 118.688 -1.613 17958 3122 1 17 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.579 0.145 17958 3123 1 17 . 1 1 5 5 ASN C C 5 176.312 176.312 175.226 1.086 17958 3124 1 17 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.065 1.228 17958 3125 1 17 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.273 0.076 17958 3126 1 17 . 1 1 5 5 ASN H H 5 7.973 7.973 8.343 -0.370 17958 3127 1 17 . 1 1 6 6 GLY N N 6 107.279 107.279 107.269 0.010 17958 3128 1 17 . 1 1 6 6 GLY C C 6 175.528 175.528 175.183 0.345 17958 3129 1 17 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.424 2.099 17958 3130 1 17 . 1 1 6 6 GLY H H 6 8.279 8.279 8.345 -0.066 17958 3131 1 17 . 1 1 7 7 VAL N N 7 121.566 121.566 120.018 1.548 17958 3132 1 17 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.751 0.091 17958 3133 1 17 . 1 1 7 7 VAL C C 7 177.059 177.059 176.817 0.242 17958 3134 1 17 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.406 1.188 17958 3135 1 17 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.931 0.092 17958 3136 1 17 . 1 1 7 7 VAL H H 7 7.835 7.835 7.558 0.277 17958 3137 1 17 . 1 1 8 8 HIS N N 8 117.806 117.806 118.422 -0.616 17958 3138 1 17 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.457 0.069 17958 3139 1 17 . 1 1 8 8 HIS C C 8 176.479 176.479 177.698 -1.219 17958 3140 1 17 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.234 -1.282 17958 3141 1 17 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.990 -1.639 17958 3142 1 17 . 1 1 8 8 HIS H H 8 8.093 8.093 8.433 -0.340 17958 3143 1 17 . 1 1 9 9 LEU N N 9 120.856 120.856 119.889 0.967 17958 3144 1 17 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.170 0.064 17958 3145 1 17 . 1 1 9 9 LEU C C 9 178.449 178.449 177.879 0.570 17958 3146 1 17 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.201 0.580 17958 3147 1 17 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.769 0.485 17958 3148 1 17 . 1 1 9 9 LEU H H 9 8.255 8.255 8.326 -0.071 17958 3149 1 17 . 1 1 10 10 THR N N 10 113.948 113.948 115.586 -1.638 17958 3150 1 17 . 1 1 10 10 THR HA H 10 4.194 4.194 3.987 0.207 17958 3151 1 17 . 1 1 10 10 THR C C 10 175.671 175.671 176.333 -0.662 17958 3152 1 17 . 1 1 10 10 THR CA C 10 65.157 65.157 67.031 -1.873 17958 3153 1 17 . 1 1 10 10 THR CB C 10 69.850 69.850 68.771 1.079 17958 3154 1 17 . 1 1 10 10 THR H H 10 8.008 8.008 7.349 0.659 17958 3155 1 17 . 1 1 11 11 LYS N N 11 120.215 120.215 120.894 -0.679 17958 3156 1 17 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.137 0.045 17958 3157 1 17 . 1 1 11 11 LYS C C 11 178.448 178.448 179.232 -0.784 17958 3158 1 17 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.627 0.477 17958 3159 1 17 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.283 -0.118 17958 3160 1 17 . 1 1 11 11 LYS H H 11 8.312 8.312 7.836 0.476 17958 3161 1 17 . 1 1 12 12 SER N N 12 114.597 114.597 113.775 0.822 17958 3162 1 17 . 1 1 12 12 SER HA H 12 4.318 4.318 4.311 0.007 17958 3163 1 17 . 1 1 12 12 SER C C 12 175.635 175.635 174.854 0.781 17958 3164 1 17 . 1 1 12 12 SER CA C 12 61.156 61.156 60.197 0.959 17958 3165 1 17 . 1 1 12 12 SER CB C 12 63.074 63.074 63.934 -0.861 17958 3166 1 17 . 1 1 12 12 SER H H 12 8.068 8.068 8.279 -0.211 17958 3167 1 17 . 1 1 13 13 GLY N N 13 109.563 109.563 108.230 1.333 17958 3168 1 17 . 1 1 13 13 GLY C C 13 175.776 175.776 174.350 1.426 17958 3169 1 17 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.758 1.812 17958 3170 1 17 . 1 1 13 13 GLY H H 13 8.216 8.216 7.420 0.796 17958 3171 1 17 . 1 1 14 14 LEU N N 14 121.346 121.346 119.886 1.460 17958 3172 1 17 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.204 0.108 17958 3173 1 17 . 1 1 14 14 LEU C C 14 178.624 178.624 177.636 0.988 17958 3174 1 17 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.932 -0.448 17958 3175 1 17 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.586 0.475 17958 3176 1 17 . 1 1 14 14 LEU H H 14 8.173 8.173 8.365 -0.192 17958 3177 1 17 . 1 1 15 15 SER N N 15 113.795 113.795 115.468 -1.673 17958 3178 1 17 . 1 1 15 15 SER HA H 15 4.385 4.385 4.218 0.167 17958 3179 1 17 . 1 1 15 15 SER C C 15 175.964 175.964 176.422 -0.458 17958 3180 1 17 . 1 1 15 15 SER CA C 15 61.201 61.201 61.348 -0.147 17958 3181 1 17 . 1 1 15 15 SER CB C 15 63.397 63.397 62.297 1.101 17958 3182 1 17 . 1 1 15 15 SER H H 15 7.945 7.945 8.240 -0.295 17958 3183 1 17 . 1 1 16 16 VAL N N 16 121.965 121.965 122.113 -0.148 17958 3184 1 17 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.962 0.030 17958 3185 1 17 . 1 1 16 16 VAL C C 16 177.176 177.176 177.135 0.041 17958 3186 1 17 . 1 1 16 16 VAL CA C 16 65.419 65.419 63.974 1.445 17958 3187 1 17 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.367 0.647 17958 3188 1 17 . 1 1 16 16 VAL H H 16 7.913 7.913 7.786 0.127 17958 3189 1 17 . 1 1 17 17 ASN N N 17 118.754 118.754 118.227 0.527 17958 3190 1 17 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.573 0.059 17958 3191 1 17 . 1 1 17 17 ASN C C 17 176.930 176.930 177.552 -0.622 17958 3192 1 17 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.328 -0.472 17958 3193 1 17 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.711 -0.076 17958 3194 1 17 . 1 1 17 17 ASN H H 17 8.001 8.001 8.689 -0.688 17958 3195 1 17 . 1 1 18 18 TRP N N 18 120.811 120.811 122.500 -1.689 17958 3196 1 17 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.417 0.058 17958 3197 1 17 . 1 1 18 18 TRP C C 18 177.778 177.778 177.815 -0.037 17958 3198 1 17 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.156 -0.519 17958 3199 1 17 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.268 -0.428 17958 3200 1 17 . 1 1 18 18 TRP H H 18 8.408 8.408 7.766 0.642 17958 3201 1 17 . 1 1 19 19 GLY N N 19 105.598 105.598 106.177 -0.579 17958 3202 1 17 . 1 1 19 19 GLY C C 19 177.037 177.037 176.182 0.855 17958 3203 1 17 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.379 -0.166 17958 3204 1 17 . 1 1 19 19 GLY H H 19 8.395 8.395 7.982 0.413 17958 3205 1 17 . 1 1 20 20 GLU N N 20 121.656 121.656 121.694 -0.038 17958 3206 1 17 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.062 0.091 17958 3207 1 17 . 1 1 20 20 GLU C C 20 177.792 177.792 178.974 -1.182 17958 3208 1 17 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.295 -0.198 17958 3209 1 17 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.461 -1.535 17958 3210 1 17 . 1 1 20 20 GLU H H 20 8.345 8.345 7.720 0.625 17958 3211 1 17 . 1 1 21 21 ALA N N 21 122.688 122.688 121.898 0.790 17958 3212 1 17 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.118 -0.012 17958 3213 1 17 . 1 1 21 21 ALA C C 21 180.552 180.552 179.490 1.062 17958 3214 1 17 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.629 0.701 17958 3215 1 17 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.247 -0.794 17958 3216 1 17 . 1 1 21 21 ALA H H 21 8.065 8.065 7.728 0.337 17958 3217 1 17 . 1 1 22 22 PHE N N 22 119.865 119.865 119.150 0.715 17958 3218 1 17 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.167 -0.001 17958 3219 1 17 . 1 1 22 22 PHE C C 22 177.877 177.877 177.612 0.265 17958 3220 1 17 . 1 1 22 22 PHE CA C 22 61.103 61.103 59.976 1.127 17958 3221 1 17 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.395 -0.409 17958 3222 1 17 . 1 1 22 22 PHE H H 22 8.856 8.856 7.747 1.109 17958 3223 1 17 . 1 1 23 23 SER N N 23 113.333 113.333 115.674 -2.341 17958 3224 1 17 . 1 1 23 23 SER HA H 23 4.112 4.112 3.976 0.136 17958 3225 1 17 . 1 1 23 23 SER C C 23 177.301 177.301 176.430 0.871 17958 3226 1 17 . 1 1 23 23 SER CA C 23 61.555 61.555 61.353 0.202 17958 3227 1 17 . 1 1 23 23 SER CB C 23 63.024 63.024 62.878 0.146 17958 3228 1 17 . 1 1 23 23 SER H H 23 8.238 8.238 8.180 0.058 17958 3229 1 17 . 1 1 24 24 ALA N N 24 125.834 125.834 122.268 3.566 17958 3230 1 17 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.081 0.076 17958 3231 1 17 . 1 1 24 24 ALA C C 24 180.136 180.136 179.646 0.490 17958 3232 1 17 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.542 1.028 17958 3233 1 17 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.232 -0.812 17958 3234 1 17 . 1 1 24 24 ALA H H 24 8.437 8.437 7.433 1.004 17958 3235 1 17 . 1 1 25 25 GLY N N 25 106.183 106.183 106.121 0.062 17958 3236 1 17 . 1 1 25 25 GLY C C 25 175.966 175.966 175.963 0.003 17958 3237 1 17 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.390 0.714 17958 3238 1 17 . 1 1 25 25 GLY H H 25 8.038 8.038 7.909 0.129 17958 3239 1 17 . 1 1 26 26 VAL N N 26 120.836 120.836 122.803 -1.967 17958 3240 1 17 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.486 0.162 17958 3241 1 17 . 1 1 26 26 VAL C C 26 178.038 178.038 177.584 0.454 17958 3242 1 17 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.507 0.062 17958 3243 1 17 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.181 0.374 17958 3244 1 17 . 1 1 26 26 VAL H H 26 8.093 8.093 7.204 0.889 17958 3245 1 17 . 1 1 27 27 HIS N N 27 115.116 115.116 118.988 -3.872 17958 3246 1 17 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.238 -0.016 17958 3247 1 17 . 1 1 27 27 HIS C C 27 176.446 176.446 177.213 -0.767 17958 3248 1 17 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.590 0.113 17958 3249 1 17 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.921 -2.425 17958 3250 1 17 . 1 1 27 27 HIS H H 27 8.005 8.005 7.872 0.133 17958 3251 1 17 . 1 1 28 28 ARG N N 28 119.021 119.021 118.826 0.195 17958 3252 1 17 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.943 0.202 17958 3253 1 17 . 1 1 28 28 ARG C C 28 178.390 178.390 178.595 -0.205 17958 3254 1 17 . 1 1 28 28 ARG CA C 28 59.211 59.211 59.176 0.035 17958 3255 1 17 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.824 -0.321 17958 3256 1 17 . 1 1 28 28 ARG H H 28 8.090 8.090 7.500 0.590 17958 3257 1 17 . 1 1 29 29 LEU N N 29 120.208 120.208 119.588 0.620 17958 3258 1 17 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.967 0.190 17958 3259 1 17 . 1 1 29 29 LEU C C 29 179.176 179.176 178.526 0.650 17958 3260 1 17 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.574 -0.128 17958 3261 1 17 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.981 0.065 17958 3262 1 17 . 1 1 29 29 LEU H H 29 8.057 8.057 7.694 0.363 17958 3263 1 17 . 1 1 30 30 ALA N N 30 120.604 120.604 119.876 0.728 17958 3264 1 17 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.037 0.160 17958 3265 1 17 . 1 1 30 30 ALA C C 30 178.350 178.350 179.140 -0.790 17958 3266 1 17 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.590 -0.747 17958 3267 1 17 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.484 -0.651 17958 3268 1 17 . 1 1 30 30 ALA H H 30 8.242 8.242 7.852 0.390 17958 3269 1 17 . 1 1 31 31 ASN N N 31 114.606 114.606 115.396 -0.790 17958 3270 1 17 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.651 0.107 17958 3271 1 17 . 1 1 31 31 ASN C C 31 175.996 175.996 175.639 0.357 17958 3272 1 17 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.016 0.324 17958 3273 1 17 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.027 0.069 17958 3274 1 17 . 1 1 31 31 ASN H H 31 7.798 7.798 7.662 0.136 17958 3275 1 17 . 1 1 32 32 GLY N N 32 106.804 106.804 106.960 -0.156 17958 3276 1 17 . 1 1 32 32 GLY C C 32 174.824 174.824 173.186 1.638 17958 3277 1 17 . 1 1 32 32 GLY CA C 32 45.902 45.902 44.960 0.942 17958 3278 1 17 . 1 1 32 32 GLY H H 32 8.021 8.021 7.677 0.344 17958 3279 1 17 . 1 1 33 33 GLY N N 33 107.126 107.126 109.745 -2.619 17958 3280 1 17 . 1 1 33 33 GLY C C 33 173.800 173.800 174.734 -0.934 17958 3281 1 17 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.500 -0.088 17958 3282 1 17 . 1 1 33 33 GLY H H 33 8.156 8.156 8.514 -0.358 17958 3283 1 17 . 1 1 34 34 ASN N N 34 116.972 116.972 122.877 -5.905 17958 3284 1 17 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.832 -0.093 17958 3285 1 17 . 1 1 34 34 ASN C C 34 175.053 175.053 174.713 0.340 17958 3286 1 17 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.884 0.286 17958 3287 1 17 . 1 1 34 34 ASN CB C 34 38.857 38.857 37.806 1.051 17958 3288 1 17 . 1 1 34 34 ASN H H 34 7.777 7.777 8.480 -0.703 17958 3289 1 17 . 1 1 35 35 GLY N N 35 106.758 106.758 107.798 -1.040 17958 3290 1 17 . 1 1 35 35 GLY C C 35 173.201 173.201 174.035 -0.834 17958 3291 1 17 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.657 0.408 17958 3292 1 17 . 1 1 35 35 GLY H H 35 7.875 7.875 7.805 0.070 17958 3293 1 17 . 1 1 36 36 PHE N N 36 118.486 118.486 123.707 -5.221 17958 3294 1 17 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.543 0.037 17958 3295 1 17 . 1 1 36 36 PHE C C 36 174.925 174.925 176.474 -1.549 17958 3296 1 17 . 1 1 36 36 PHE CA C 36 57.975 57.975 58.426 -0.451 17958 3297 1 17 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.520 0.022 17958 3298 1 17 . 1 1 36 36 PHE H H 36 7.537 7.537 8.667 -1.130 17958 3299 1 18 . 1 1 2 2 TYR N N 2 121.377 121.377 122.024 -0.647 17958 3300 1 18 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.598 -0.013 17958 3301 1 18 . 1 1 2 2 TYR C C 2 174.972 174.972 175.337 -0.365 17958 3302 1 18 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.965 0.154 17958 3303 1 18 . 1 1 2 2 TYR CB C 2 38.965 38.965 39.087 -0.122 17958 3304 1 18 . 1 1 2 2 TYR H H 2 8.202 8.202 7.894 0.308 17958 3305 1 18 . 1 1 3 3 TYR N N 3 122.159 122.159 125.552 -3.393 17958 3306 1 18 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.720 -0.198 17958 3307 1 18 . 1 1 3 3 TYR C C 3 175.832 175.832 174.491 1.341 17958 3308 1 18 . 1 1 3 3 TYR CA C 3 58.105 58.105 58.571 -0.466 17958 3309 1 18 . 1 1 3 3 TYR CB C 3 38.683 38.683 39.639 -0.956 17958 3310 1 18 . 1 1 3 3 TYR H H 3 7.680 7.680 8.178 -0.498 17958 3311 1 18 . 1 1 4 4 GLY N N 4 106.493 106.493 113.121 -6.628 17958 3312 1 18 . 1 1 4 4 GLY C C 4 173.959 173.959 174.258 -0.299 17958 3313 1 18 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.693 1.040 17958 3314 1 18 . 1 1 4 4 GLY H H 4 6.940 6.940 8.121 -1.181 17958 3315 1 18 . 1 1 5 5 ASN N N 5 117.075 117.075 118.063 -0.988 17958 3316 1 18 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.569 0.155 17958 3317 1 18 . 1 1 5 5 ASN C C 5 176.312 176.312 175.594 0.718 17958 3318 1 18 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.009 1.284 17958 3319 1 18 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.333 0.016 17958 3320 1 18 . 1 1 5 5 ASN H H 5 7.973 7.973 8.786 -0.813 17958 3321 1 18 . 1 1 6 6 GLY N N 6 107.279 107.279 107.376 -0.097 17958 3322 1 18 . 1 1 6 6 GLY C C 6 175.528 175.528 175.625 -0.097 17958 3323 1 18 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.614 1.909 17958 3324 1 18 . 1 1 6 6 GLY H H 6 8.279 8.279 8.377 -0.098 17958 3325 1 18 . 1 1 7 7 VAL N N 7 121.566 121.566 121.630 -0.064 17958 3326 1 18 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.804 0.038 17958 3327 1 18 . 1 1 7 7 VAL C C 7 177.059 177.059 176.741 0.318 17958 3328 1 18 . 1 1 7 7 VAL CA C 7 65.594 65.594 65.143 0.451 17958 3329 1 18 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.314 0.709 17958 3330 1 18 . 1 1 7 7 VAL H H 7 7.835 7.835 7.779 0.056 17958 3331 1 18 . 1 1 8 8 HIS N N 8 117.806 117.806 120.001 -2.195 17958 3332 1 18 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.466 0.060 17958 3333 1 18 . 1 1 8 8 HIS C C 8 176.479 176.479 177.462 -0.983 17958 3334 1 18 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.226 -0.274 17958 3335 1 18 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.669 -1.318 17958 3336 1 18 . 1 1 8 8 HIS H H 8 8.093 8.093 8.383 -0.290 17958 3337 1 18 . 1 1 9 9 LEU N N 9 120.856 120.856 118.308 2.548 17958 3338 1 18 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.148 0.086 17958 3339 1 18 . 1 1 9 9 LEU C C 9 178.449 178.449 177.988 0.461 17958 3340 1 18 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.278 0.503 17958 3341 1 18 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.781 0.473 17958 3342 1 18 . 1 1 9 9 LEU H H 9 8.255 8.255 8.282 -0.027 17958 3343 1 18 . 1 1 10 10 THR N N 10 113.948 113.948 115.785 -1.837 17958 3344 1 18 . 1 1 10 10 THR HA H 10 4.194 4.194 3.990 0.204 17958 3345 1 18 . 1 1 10 10 THR C C 10 175.671 175.671 176.342 -0.671 17958 3346 1 18 . 1 1 10 10 THR CA C 10 65.157 65.157 66.969 -1.812 17958 3347 1 18 . 1 1 10 10 THR CB C 10 69.850 69.850 68.796 1.054 17958 3348 1 18 . 1 1 10 10 THR H H 10 8.008 8.008 7.380 0.628 17958 3349 1 18 . 1 1 11 11 LYS N N 11 120.215 120.215 120.389 -0.174 17958 3350 1 18 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.204 -0.022 17958 3351 1 18 . 1 1 11 11 LYS C C 11 178.448 178.448 179.038 -0.590 17958 3352 1 18 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.398 0.706 17958 3353 1 18 . 1 1 11 11 LYS CB C 11 32.165 32.165 31.999 0.166 17958 3354 1 18 . 1 1 11 11 LYS H H 11 8.312 8.312 7.891 0.421 17958 3355 1 18 . 1 1 12 12 SER N N 12 114.597 114.597 113.587 1.010 17958 3356 1 18 . 1 1 12 12 SER HA H 12 4.318 4.318 4.317 0.001 17958 3357 1 18 . 1 1 12 12 SER C C 12 175.635 175.635 174.888 0.747 17958 3358 1 18 . 1 1 12 12 SER CA C 12 61.156 61.156 59.564 1.592 17958 3359 1 18 . 1 1 12 12 SER CB C 12 63.074 63.074 63.682 -0.608 17958 3360 1 18 . 1 1 12 12 SER H H 12 8.068 8.068 8.235 -0.167 17958 3361 1 18 . 1 1 13 13 GLY N N 13 109.563 109.563 108.493 1.070 17958 3362 1 18 . 1 1 13 13 GLY C C 13 175.776 175.776 174.267 1.509 17958 3363 1 18 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.707 1.864 17958 3364 1 18 . 1 1 13 13 GLY H H 13 8.216 8.216 7.429 0.787 17958 3365 1 18 . 1 1 14 14 LEU N N 14 121.346 121.346 119.490 1.856 17958 3366 1 18 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.186 0.126 17958 3367 1 18 . 1 1 14 14 LEU C C 14 178.624 178.624 177.717 0.907 17958 3368 1 18 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.681 -0.196 17958 3369 1 18 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.469 0.592 17958 3370 1 18 . 1 1 14 14 LEU H H 14 8.173 8.173 8.464 -0.291 17958 3371 1 18 . 1 1 15 15 SER N N 15 113.795 113.795 116.516 -2.721 17958 3372 1 18 . 1 1 15 15 SER HA H 15 4.385 4.385 4.276 0.109 17958 3373 1 18 . 1 1 15 15 SER C C 15 175.964 175.964 176.620 -0.656 17958 3374 1 18 . 1 1 15 15 SER CA C 15 61.201 61.201 61.166 0.035 17958 3375 1 18 . 1 1 15 15 SER CB C 15 63.397 63.397 62.665 0.732 17958 3376 1 18 . 1 1 15 15 SER H H 15 7.945 7.945 8.274 -0.329 17958 3377 1 18 . 1 1 16 16 VAL N N 16 121.965 121.965 123.192 -1.227 17958 3378 1 18 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.901 0.091 17958 3379 1 18 . 1 1 16 16 VAL C C 16 177.176 177.176 177.288 -0.112 17958 3380 1 18 . 1 1 16 16 VAL CA C 16 65.419 65.419 63.934 1.485 17958 3381 1 18 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.776 0.238 17958 3382 1 18 . 1 1 16 16 VAL H H 16 7.913 7.913 7.681 0.232 17958 3383 1 18 . 1 1 17 17 ASN N N 17 118.754 118.754 119.835 -1.081 17958 3384 1 18 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.498 0.134 17958 3385 1 18 . 1 1 17 17 ASN C C 17 176.930 176.930 177.069 -0.139 17958 3386 1 18 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.539 -0.683 17958 3387 1 18 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.412 0.223 17958 3388 1 18 . 1 1 17 17 ASN H H 17 8.001 8.001 8.285 -0.284 17958 3389 1 18 . 1 1 18 18 TRP N N 18 120.811 120.811 122.214 -1.403 17958 3390 1 18 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.509 -0.034 17958 3391 1 18 . 1 1 18 18 TRP C C 18 177.778 177.778 178.462 -0.684 17958 3392 1 18 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.492 0.145 17958 3393 1 18 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.384 -0.544 17958 3394 1 18 . 1 1 18 18 TRP H H 18 8.408 8.408 7.925 0.483 17958 3395 1 18 . 1 1 19 19 GLY N N 19 105.598 105.598 105.920 -0.322 17958 3396 1 18 . 1 1 19 19 GLY C C 19 177.037 177.037 176.302 0.735 17958 3397 1 18 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.272 -0.059 17958 3398 1 18 . 1 1 19 19 GLY H H 19 8.395 8.395 8.114 0.281 17958 3399 1 18 . 1 1 20 20 GLU N N 20 121.656 121.656 122.407 -0.751 17958 3400 1 18 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.063 0.090 17958 3401 1 18 . 1 1 20 20 GLU C C 20 177.792 177.792 178.850 -1.058 17958 3402 1 18 . 1 1 20 20 GLU CA C 20 59.098 59.098 58.963 0.135 17958 3403 1 18 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.417 -1.491 17958 3404 1 18 . 1 1 20 20 GLU H H 20 8.345 8.345 8.021 0.324 17958 3405 1 18 . 1 1 21 21 ALA N N 21 122.688 122.688 122.039 0.649 17958 3406 1 18 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.178 -0.072 17958 3407 1 18 . 1 1 21 21 ALA C C 21 180.552 180.552 179.878 0.674 17958 3408 1 18 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.785 0.545 17958 3409 1 18 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.550 -1.097 17958 3410 1 18 . 1 1 21 21 ALA H H 21 8.065 8.065 7.809 0.256 17958 3411 1 18 . 1 1 22 22 PHE N N 22 119.865 119.865 118.790 1.075 17958 3412 1 18 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.162 0.004 17958 3413 1 18 . 1 1 22 22 PHE C C 22 177.877 177.877 177.036 0.841 17958 3414 1 18 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.670 0.433 17958 3415 1 18 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.215 -0.229 17958 3416 1 18 . 1 1 22 22 PHE H H 22 8.856 8.856 8.444 0.412 17958 3417 1 18 . 1 1 23 23 SER N N 23 113.333 113.333 114.888 -1.555 17958 3418 1 18 . 1 1 23 23 SER HA H 23 4.112 4.112 4.050 0.062 17958 3419 1 18 . 1 1 23 23 SER C C 23 177.301 177.301 176.356 0.945 17958 3420 1 18 . 1 1 23 23 SER CA C 23 61.555 61.555 61.870 -0.315 17958 3421 1 18 . 1 1 23 23 SER CB C 23 63.024 63.024 62.861 0.163 17958 3422 1 18 . 1 1 23 23 SER H H 23 8.238 8.238 8.279 -0.041 17958 3423 1 18 . 1 1 24 24 ALA N N 24 125.834 125.834 123.809 2.025 17958 3424 1 18 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.096 0.061 17958 3425 1 18 . 1 1 24 24 ALA C C 24 180.136 180.136 179.522 0.614 17958 3426 1 18 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.692 0.879 17958 3427 1 18 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.258 -0.838 17958 3428 1 18 . 1 1 24 24 ALA H H 24 8.437 8.437 7.355 1.082 17958 3429 1 18 . 1 1 25 25 GLY N N 25 106.183 106.183 107.032 -0.849 17958 3430 1 18 . 1 1 25 25 GLY C C 25 175.966 175.966 176.270 -0.304 17958 3431 1 18 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.711 0.393 17958 3432 1 18 . 1 1 25 25 GLY H H 25 8.038 8.038 7.606 0.432 17958 3433 1 18 . 1 1 26 26 VAL N N 26 120.836 120.836 122.573 -1.737 17958 3434 1 18 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.555 0.093 17958 3435 1 18 . 1 1 26 26 VAL C C 26 178.038 178.038 177.230 0.808 17958 3436 1 18 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.935 -0.366 17958 3437 1 18 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.018 0.538 17958 3438 1 18 . 1 1 26 26 VAL H H 26 8.093 8.093 7.702 0.391 17958 3439 1 18 . 1 1 27 27 HIS N N 27 115.116 115.116 119.165 -4.049 17958 3440 1 18 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.169 0.053 17958 3441 1 18 . 1 1 27 27 HIS C C 27 176.446 176.446 177.239 -0.793 17958 3442 1 18 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.741 -0.038 17958 3443 1 18 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.161 -2.666 17958 3444 1 18 . 1 1 27 27 HIS H H 27 8.005 8.005 7.860 0.145 17958 3445 1 18 . 1 1 28 28 ARG N N 28 119.021 119.021 119.242 -0.221 17958 3446 1 18 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.874 0.271 17958 3447 1 18 . 1 1 28 28 ARG C C 28 178.390 178.390 178.349 0.041 17958 3448 1 18 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.927 0.284 17958 3449 1 18 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.807 -0.304 17958 3450 1 18 . 1 1 28 28 ARG H H 28 8.090 8.090 7.626 0.464 17958 3451 1 18 . 1 1 29 29 LEU N N 29 120.208 120.208 118.990 1.218 17958 3452 1 18 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.940 0.217 17958 3453 1 18 . 1 1 29 29 LEU C C 29 179.176 179.176 178.954 0.222 17958 3454 1 18 . 1 1 29 29 LEU CA C 29 57.446 57.446 58.081 -0.635 17958 3455 1 18 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.813 0.233 17958 3456 1 18 . 1 1 29 29 LEU H H 29 8.057 8.057 7.524 0.533 17958 3457 1 18 . 1 1 30 30 ALA N N 30 120.604 120.604 120.867 -0.263 17958 3458 1 18 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.065 0.132 17958 3459 1 18 . 1 1 30 30 ALA C C 30 178.350 178.350 179.189 -0.839 17958 3460 1 18 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.499 -0.656 17958 3461 1 18 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.882 -1.049 17958 3462 1 18 . 1 1 30 30 ALA H H 30 8.242 8.242 7.647 0.595 17958 3463 1 18 . 1 1 31 31 ASN N N 31 114.606 114.606 117.847 -3.241 17958 3464 1 18 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.601 0.157 17958 3465 1 18 . 1 1 31 31 ASN C C 31 175.996 175.996 174.278 1.718 17958 3466 1 18 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.621 -0.282 17958 3467 1 18 . 1 1 31 31 ASN CB C 31 39.096 39.096 37.463 1.633 17958 3468 1 18 . 1 1 31 31 ASN H H 31 7.798 7.798 7.982 -0.184 17958 3469 1 18 . 1 1 32 32 GLY N N 32 106.804 106.804 108.340 -1.536 17958 3470 1 18 . 1 1 32 32 GLY C C 32 174.824 174.824 173.488 1.336 17958 3471 1 18 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.462 0.440 17958 3472 1 18 . 1 1 32 32 GLY H H 32 8.021 8.021 7.933 0.088 17958 3473 1 18 . 1 1 33 33 GLY N N 33 107.126 107.126 111.957 -4.831 17958 3474 1 18 . 1 1 33 33 GLY C C 33 173.800 173.800 174.124 -0.324 17958 3475 1 18 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.770 0.642 17958 3476 1 18 . 1 1 33 33 GLY H H 33 8.156 8.156 8.574 -0.418 17958 3477 1 18 . 1 1 34 34 ASN N N 34 116.972 116.972 120.809 -3.837 17958 3478 1 18 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.849 -0.110 17958 3479 1 18 . 1 1 34 34 ASN C C 34 175.053 175.053 175.275 -0.222 17958 3480 1 18 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.964 0.206 17958 3481 1 18 . 1 1 34 34 ASN CB C 34 38.857 38.857 39.889 -1.032 17958 3482 1 18 . 1 1 34 34 ASN H H 34 7.777 7.777 7.719 0.058 17958 3483 1 18 . 1 1 35 35 GLY N N 35 106.758 106.758 109.082 -2.324 17958 3484 1 18 . 1 1 35 35 GLY C C 35 173.201 173.201 173.860 -0.659 17958 3485 1 18 . 1 1 35 35 GLY CA C 35 45.065 45.065 45.020 0.045 17958 3486 1 18 . 1 1 35 35 GLY H H 35 7.875 7.875 8.720 -0.845 17958 3487 1 18 . 1 1 36 36 PHE N N 36 118.486 118.486 120.942 -2.456 17958 3488 1 18 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.728 -0.148 17958 3489 1 18 . 1 1 36 36 PHE C C 36 174.925 174.925 175.622 -0.697 17958 3490 1 18 . 1 1 36 36 PHE CA C 36 57.975 57.975 56.874 1.101 17958 3491 1 18 . 1 1 36 36 PHE CB C 36 39.542 39.542 38.980 0.562 17958 3492 1 18 . 1 1 36 36 PHE H H 36 7.537 7.537 7.740 -0.203 17958 3493 1 19 . 1 1 2 2 TYR N N 2 121.377 121.377 122.134 -0.757 17958 3494 1 19 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.493 0.092 17958 3495 1 19 . 1 1 2 2 TYR C C 2 174.972 174.972 174.907 0.065 17958 3496 1 19 . 1 1 2 2 TYR CA C 2 58.119 58.119 58.045 0.074 17958 3497 1 19 . 1 1 2 2 TYR CB C 2 38.965 38.965 37.681 1.284 17958 3498 1 19 . 1 1 2 2 TYR H H 2 8.202 8.202 8.300 -0.098 17958 3499 1 19 . 1 1 3 3 TYR N N 3 122.159 122.159 122.326 -0.167 17958 3500 1 19 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.681 -0.159 17958 3501 1 19 . 1 1 3 3 TYR C C 3 175.832 175.832 175.401 0.431 17958 3502 1 19 . 1 1 3 3 TYR CA C 3 58.105 58.105 58.456 -0.351 17958 3503 1 19 . 1 1 3 3 TYR CB C 3 38.683 38.683 40.155 -1.472 17958 3504 1 19 . 1 1 3 3 TYR H H 3 7.680 7.680 8.061 -0.381 17958 3505 1 19 . 1 1 4 4 GLY N N 4 106.493 106.493 112.249 -5.756 17958 3506 1 19 . 1 1 4 4 GLY C C 4 173.959 173.959 173.292 0.667 17958 3507 1 19 . 1 1 4 4 GLY CA C 4 45.733 45.733 45.178 0.555 17958 3508 1 19 . 1 1 4 4 GLY H H 4 6.940 6.940 8.295 -1.355 17958 3509 1 19 . 1 1 5 5 ASN N N 5 117.075 117.075 120.766 -3.691 17958 3510 1 19 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.801 -0.077 17958 3511 1 19 . 1 1 5 5 ASN C C 5 176.312 176.312 175.742 0.570 17958 3512 1 19 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.107 1.186 17958 3513 1 19 . 1 1 5 5 ASN CB C 5 38.349 38.349 40.378 -2.029 17958 3514 1 19 . 1 1 5 5 ASN H H 5 7.973 7.973 8.497 -0.524 17958 3515 1 19 . 1 1 6 6 GLY N N 6 107.279 107.279 109.496 -2.217 17958 3516 1 19 . 1 1 6 6 GLY C C 6 175.528 175.528 175.738 -0.210 17958 3517 1 19 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.544 0.979 17958 3518 1 19 . 1 1 6 6 GLY H H 6 8.279 8.279 8.402 -0.123 17958 3519 1 19 . 1 1 7 7 VAL N N 7 121.566 121.566 122.332 -0.766 17958 3520 1 19 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.879 -0.037 17958 3521 1 19 . 1 1 7 7 VAL C C 7 177.059 177.059 176.654 0.405 17958 3522 1 19 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.768 0.826 17958 3523 1 19 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.807 0.216 17958 3524 1 19 . 1 1 7 7 VAL H H 7 7.835 7.835 8.065 -0.230 17958 3525 1 19 . 1 1 8 8 HIS N N 8 117.806 117.806 117.649 0.157 17958 3526 1 19 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.443 0.083 17958 3527 1 19 . 1 1 8 8 HIS C C 8 176.479 176.479 177.821 -1.342 17958 3528 1 19 . 1 1 8 8 HIS CA C 8 57.952 57.952 59.293 -1.341 17958 3529 1 19 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.756 -1.405 17958 3530 1 19 . 1 1 8 8 HIS H H 8 8.093 8.093 8.448 -0.355 17958 3531 1 19 . 1 1 9 9 LEU N N 9 120.856 120.856 119.782 1.074 17958 3532 1 19 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.258 -0.024 17958 3533 1 19 . 1 1 9 9 LEU C C 9 178.449 178.449 178.335 0.114 17958 3534 1 19 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.481 0.299 17958 3535 1 19 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.936 0.318 17958 3536 1 19 . 1 1 9 9 LEU H H 9 8.255 8.255 7.735 0.520 17958 3537 1 19 . 1 1 10 10 THR N N 10 113.948 113.948 116.461 -2.513 17958 3538 1 19 . 1 1 10 10 THR HA H 10 4.194 4.194 3.969 0.225 17958 3539 1 19 . 1 1 10 10 THR C C 10 175.671 175.671 176.600 -0.929 17958 3540 1 19 . 1 1 10 10 THR CA C 10 65.157 65.157 67.325 -2.168 17958 3541 1 19 . 1 1 10 10 THR CB C 10 69.850 69.850 68.624 1.226 17958 3542 1 19 . 1 1 10 10 THR H H 10 8.008 8.008 7.528 0.480 17958 3543 1 19 . 1 1 11 11 LYS N N 11 120.215 120.215 120.489 -0.274 17958 3544 1 19 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.023 0.159 17958 3545 1 19 . 1 1 11 11 LYS C C 11 178.448 178.448 178.627 -0.179 17958 3546 1 19 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.689 0.415 17958 3547 1 19 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.252 -0.087 17958 3548 1 19 . 1 1 11 11 LYS H H 11 8.312 8.312 7.563 0.749 17958 3549 1 19 . 1 1 12 12 SER N N 12 114.597 114.597 114.339 0.258 17958 3550 1 19 . 1 1 12 12 SER HA H 12 4.318 4.318 4.216 0.102 17958 3551 1 19 . 1 1 12 12 SER C C 12 175.635 175.635 175.271 0.364 17958 3552 1 19 . 1 1 12 12 SER CA C 12 61.156 61.156 60.203 0.953 17958 3553 1 19 . 1 1 12 12 SER CB C 12 63.074 63.074 64.338 -1.264 17958 3554 1 19 . 1 1 12 12 SER H H 12 8.068 8.068 7.791 0.277 17958 3555 1 19 . 1 1 13 13 GLY N N 13 109.563 109.563 107.907 1.656 17958 3556 1 19 . 1 1 13 13 GLY C C 13 175.776 175.776 173.768 2.008 17958 3557 1 19 . 1 1 13 13 GLY CA C 13 46.571 46.571 45.320 1.251 17958 3558 1 19 . 1 1 13 13 GLY H H 13 8.216 8.216 7.788 0.428 17958 3559 1 19 . 1 1 14 14 LEU N N 14 121.346 121.346 121.330 0.016 17958 3560 1 19 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.197 0.115 17958 3561 1 19 . 1 1 14 14 LEU C C 14 178.624 178.624 177.810 0.814 17958 3562 1 19 . 1 1 14 14 LEU CA C 14 57.484 57.484 58.064 -0.580 17958 3563 1 19 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.721 0.341 17958 3564 1 19 . 1 1 14 14 LEU H H 14 8.173 8.173 7.780 0.393 17958 3565 1 19 . 1 1 15 15 SER N N 15 113.795 113.795 115.292 -1.497 17958 3566 1 19 . 1 1 15 15 SER HA H 15 4.385 4.385 4.248 0.137 17958 3567 1 19 . 1 1 15 15 SER C C 15 175.964 175.964 176.320 -0.356 17958 3568 1 19 . 1 1 15 15 SER CA C 15 61.201 61.201 61.306 -0.105 17958 3569 1 19 . 1 1 15 15 SER CB C 15 63.397 63.397 62.455 0.942 17958 3570 1 19 . 1 1 15 15 SER H H 15 7.945 7.945 8.409 -0.464 17958 3571 1 19 . 1 1 16 16 VAL N N 16 121.965 121.965 120.972 0.993 17958 3572 1 19 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.936 0.056 17958 3573 1 19 . 1 1 16 16 VAL C C 16 177.176 177.176 177.344 -0.168 17958 3574 1 19 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.177 1.242 17958 3575 1 19 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.415 0.600 17958 3576 1 19 . 1 1 16 16 VAL H H 16 7.913 7.913 8.023 -0.110 17958 3577 1 19 . 1 1 17 17 ASN N N 17 118.754 118.754 118.521 0.233 17958 3578 1 19 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.574 0.058 17958 3579 1 19 . 1 1 17 17 ASN C C 17 176.930 176.930 177.202 -0.272 17958 3580 1 19 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.628 -0.772 17958 3581 1 19 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.543 0.092 17958 3582 1 19 . 1 1 17 17 ASN H H 17 8.001 8.001 8.702 -0.701 17958 3583 1 19 . 1 1 18 18 TRP N N 18 120.811 120.811 122.439 -1.628 17958 3584 1 19 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.344 0.131 17958 3585 1 19 . 1 1 18 18 TRP C C 18 177.778 177.778 178.030 -0.252 17958 3586 1 19 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.193 -0.556 17958 3587 1 19 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.436 -0.596 17958 3588 1 19 . 1 1 18 18 TRP H H 18 8.408 8.408 7.746 0.662 17958 3589 1 19 . 1 1 19 19 GLY N N 19 105.598 105.598 105.764 -0.166 17958 3590 1 19 . 1 1 19 19 GLY C C 19 177.037 177.037 176.166 0.871 17958 3591 1 19 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.465 -0.252 17958 3592 1 19 . 1 1 19 19 GLY H H 19 8.395 8.395 8.090 0.305 17958 3593 1 19 . 1 1 20 20 GLU N N 20 121.656 121.656 121.869 -0.213 17958 3594 1 19 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.077 0.076 17958 3595 1 19 . 1 1 20 20 GLU C C 20 177.792 177.792 178.954 -1.162 17958 3596 1 19 . 1 1 20 20 GLU CA C 20 59.098 59.098 58.947 0.151 17958 3597 1 19 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.334 -1.408 17958 3598 1 19 . 1 1 20 20 GLU H H 20 8.345 8.345 7.704 0.641 17958 3599 1 19 . 1 1 21 21 ALA N N 21 122.688 122.688 122.211 0.477 17958 3600 1 19 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.105 0.001 17958 3601 1 19 . 1 1 21 21 ALA C C 21 180.552 180.552 179.523 1.029 17958 3602 1 19 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.761 0.569 17958 3603 1 19 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.163 -0.710 17958 3604 1 19 . 1 1 21 21 ALA H H 21 8.065 8.065 8.001 0.064 17958 3605 1 19 . 1 1 22 22 PHE N N 22 119.865 119.865 119.516 0.349 17958 3606 1 19 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.069 0.097 17958 3607 1 19 . 1 1 22 22 PHE C C 22 177.877 177.877 177.218 0.659 17958 3608 1 19 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.700 0.403 17958 3609 1 19 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.218 -0.232 17958 3610 1 19 . 1 1 22 22 PHE H H 22 8.856 8.856 8.195 0.661 17958 3611 1 19 . 1 1 23 23 SER N N 23 113.333 113.333 114.985 -1.652 17958 3612 1 19 . 1 1 23 23 SER HA H 23 4.112 4.112 3.956 0.156 17958 3613 1 19 . 1 1 23 23 SER C C 23 177.301 177.301 176.493 0.808 17958 3614 1 19 . 1 1 23 23 SER CA C 23 61.555 61.555 61.863 -0.308 17958 3615 1 19 . 1 1 23 23 SER CB C 23 63.024 63.024 62.679 0.345 17958 3616 1 19 . 1 1 23 23 SER H H 23 8.238 8.238 8.045 0.193 17958 3617 1 19 . 1 1 24 24 ALA N N 24 125.834 125.834 124.919 0.915 17958 3618 1 19 . 1 1 24 24 ALA HA H 24 4.157 4.157 3.916 0.241 17958 3619 1 19 . 1 1 24 24 ALA C C 24 180.136 180.136 179.491 0.645 17958 3620 1 19 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.892 0.678 17958 3621 1 19 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.067 -0.647 17958 3622 1 19 . 1 1 24 24 ALA H H 24 8.437 8.437 7.333 1.104 17958 3623 1 19 . 1 1 25 25 GLY N N 25 106.183 106.183 105.676 0.507 17958 3624 1 19 . 1 1 25 25 GLY C C 25 175.966 175.966 176.276 -0.310 17958 3625 1 19 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.512 0.592 17958 3626 1 19 . 1 1 25 25 GLY H H 25 8.038 8.038 7.480 0.558 17958 3627 1 19 . 1 1 26 26 VAL N N 26 120.836 120.836 122.481 -1.645 17958 3628 1 19 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.419 0.229 17958 3629 1 19 . 1 1 26 26 VAL C C 26 178.038 178.038 177.373 0.665 17958 3630 1 19 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.482 0.087 17958 3631 1 19 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.045 0.511 17958 3632 1 19 . 1 1 26 26 VAL H H 26 8.093 8.093 7.592 0.501 17958 3633 1 19 . 1 1 27 27 HIS N N 27 115.116 115.116 118.784 -3.668 17958 3634 1 19 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.265 -0.043 17958 3635 1 19 . 1 1 27 27 HIS C C 27 176.446 176.446 177.379 -0.933 17958 3636 1 19 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.494 0.209 17958 3637 1 19 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.855 -2.360 17958 3638 1 19 . 1 1 27 27 HIS H H 27 8.005 8.005 7.906 0.099 17958 3639 1 19 . 1 1 28 28 ARG N N 28 119.021 119.021 119.079 -0.058 17958 3640 1 19 . 1 1 28 28 ARG HA H 28 4.145 4.145 3.984 0.161 17958 3641 1 19 . 1 1 28 28 ARG C C 28 178.390 178.390 178.941 -0.551 17958 3642 1 19 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.267 0.943 17958 3643 1 19 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.743 -0.240 17958 3644 1 19 . 1 1 28 28 ARG H H 28 8.090 8.090 7.616 0.474 17958 3645 1 19 . 1 1 29 29 LEU N N 29 120.208 120.208 119.663 0.545 17958 3646 1 19 . 1 1 29 29 LEU HA H 29 4.157 4.157 3.963 0.194 17958 3647 1 19 . 1 1 29 29 LEU C C 29 179.176 179.176 177.853 1.323 17958 3648 1 19 . 1 1 29 29 LEU CA C 29 57.446 57.446 58.015 -0.569 17958 3649 1 19 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.719 0.327 17958 3650 1 19 . 1 1 29 29 LEU H H 29 8.057 8.057 7.607 0.450 17958 3651 1 19 . 1 1 30 30 ALA N N 30 120.604 120.604 118.790 1.814 17958 3652 1 19 . 1 1 30 30 ALA HA H 30 4.197 4.197 3.726 0.471 17958 3653 1 19 . 1 1 30 30 ALA C C 30 178.350 178.350 177.276 1.074 17958 3654 1 19 . 1 1 30 30 ALA CA C 30 53.843 53.843 53.898 -0.055 17958 3655 1 19 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.509 -0.676 17958 3656 1 19 . 1 1 30 30 ALA H H 30 8.242 8.242 7.592 0.650 17958 3657 1 19 . 1 1 31 31 ASN N N 31 114.606 114.606 117.339 -2.733 17958 3658 1 19 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.466 0.292 17958 3659 1 19 . 1 1 31 31 ASN C C 31 175.996 175.996 175.572 0.424 17958 3660 1 19 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.166 0.173 17958 3661 1 19 . 1 1 31 31 ASN CB C 31 39.096 39.096 36.694 2.402 17958 3662 1 19 . 1 1 31 31 ASN H H 31 7.798 7.798 7.336 0.462 17958 3663 1 19 . 1 1 32 32 GLY N N 32 106.804 106.804 112.044 -5.240 17958 3664 1 19 . 1 1 32 32 GLY C C 32 174.824 174.824 174.906 -0.082 17958 3665 1 19 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.021 0.881 17958 3666 1 19 . 1 1 32 32 GLY H H 32 8.021 8.021 7.852 0.169 17958 3667 1 19 . 1 1 33 33 GLY N N 33 107.126 107.126 110.061 -2.935 17958 3668 1 19 . 1 1 33 33 GLY C C 33 173.800 173.800 174.933 -1.133 17958 3669 1 19 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.690 0.722 17958 3670 1 19 . 1 1 33 33 GLY H H 33 8.156 8.156 7.832 0.324 17958 3671 1 19 . 1 1 34 34 ASN N N 34 116.972 116.972 117.095 -0.123 17958 3672 1 19 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.122 0.617 17958 3673 1 19 . 1 1 34 34 ASN C C 34 175.053 175.053 174.091 0.962 17958 3674 1 19 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.699 -0.529 17958 3675 1 19 . 1 1 34 34 ASN CB C 34 38.857 38.857 37.530 1.327 17958 3676 1 19 . 1 1 34 34 ASN H H 34 7.777 7.777 7.615 0.162 17958 3677 1 19 . 1 1 35 35 GLY N N 35 106.758 106.758 106.819 -0.061 17958 3678 1 19 . 1 1 35 35 GLY C C 35 173.201 173.201 172.844 0.357 17958 3679 1 19 . 1 1 35 35 GLY CA C 35 45.065 45.065 43.678 1.387 17958 3680 1 19 . 1 1 35 35 GLY H H 35 7.875 7.875 7.683 0.192 17958 3681 1 19 . 1 1 36 36 PHE N N 36 118.486 118.486 123.031 -4.545 17958 3682 1 19 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.383 0.197 17958 3683 1 19 . 1 1 36 36 PHE C C 36 174.925 174.925 175.368 -0.443 17958 3684 1 19 . 1 1 36 36 PHE CA C 36 57.975 57.975 56.740 1.235 17958 3685 1 19 . 1 1 36 36 PHE CB C 36 39.542 39.542 37.857 1.685 17958 3686 1 19 . 1 1 36 36 PHE H H 36 7.537 7.537 7.622 -0.085 17958 3687 1 20 . 1 1 2 2 TYR N N 2 121.377 121.377 121.334 0.043 17958 3688 1 20 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.633 -0.048 17958 3689 1 20 . 1 1 2 2 TYR C C 2 174.972 174.972 174.394 0.578 17958 3690 1 20 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.068 1.051 17958 3691 1 20 . 1 1 2 2 TYR CB C 2 38.965 38.965 38.951 0.014 17958 3692 1 20 . 1 1 2 2 TYR H H 2 8.202 8.202 8.217 -0.015 17958 3693 1 20 . 1 1 3 3 TYR N N 3 122.159 122.159 117.257 4.902 17958 3694 1 20 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.608 -0.086 17958 3695 1 20 . 1 1 3 3 TYR C C 3 175.832 175.832 174.800 1.032 17958 3696 1 20 . 1 1 3 3 TYR CA C 3 58.105 58.105 57.542 0.562 17958 3697 1 20 . 1 1 3 3 TYR CB C 3 38.683 38.683 39.577 -0.894 17958 3698 1 20 . 1 1 3 3 TYR H H 3 7.680 7.680 8.024 -0.344 17958 3699 1 20 . 1 1 4 4 GLY N N 4 106.493 106.493 111.029 -4.536 17958 3700 1 20 . 1 1 4 4 GLY C C 4 173.959 173.959 174.465 -0.506 17958 3701 1 20 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.575 1.158 17958 3702 1 20 . 1 1 4 4 GLY H H 4 6.940 6.940 8.689 -1.749 17958 3703 1 20 . 1 1 5 5 ASN N N 5 117.075 117.075 119.881 -2.806 17958 3704 1 20 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.720 0.004 17958 3705 1 20 . 1 1 5 5 ASN C C 5 176.312 176.312 174.782 1.530 17958 3706 1 20 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.663 0.631 17958 3707 1 20 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.056 0.293 17958 3708 1 20 . 1 1 5 5 ASN H H 5 7.973 7.973 8.126 -0.153 17958 3709 1 20 . 1 1 6 6 GLY N N 6 107.279 107.279 113.593 -6.314 17958 3710 1 20 . 1 1 6 6 GLY C C 6 175.528 175.528 174.703 0.825 17958 3711 1 20 . 1 1 6 6 GLY CA C 6 46.523 46.523 45.398 1.125 17958 3712 1 20 . 1 1 6 6 GLY H H 6 8.279 8.279 8.058 0.221 17958 3713 1 20 . 1 1 7 7 VAL N N 7 121.566 121.566 121.134 0.432 17958 3714 1 20 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.941 -0.099 17958 3715 1 20 . 1 1 7 7 VAL C C 7 177.059 177.059 176.269 0.790 17958 3716 1 20 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.463 1.131 17958 3717 1 20 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.935 0.088 17958 3718 1 20 . 1 1 7 7 VAL H H 7 7.835 7.835 8.306 -0.471 17958 3719 1 20 . 1 1 8 8 HIS N N 8 117.806 117.806 119.139 -1.333 17958 3720 1 20 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.472 0.054 17958 3721 1 20 . 1 1 8 8 HIS C C 8 176.479 176.479 177.814 -1.335 17958 3722 1 20 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.825 -0.874 17958 3723 1 20 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.326 -0.976 17958 3724 1 20 . 1 1 8 8 HIS H H 8 8.093 8.093 8.223 -0.130 17958 3725 1 20 . 1 1 9 9 LEU N N 9 120.856 120.856 119.508 1.348 17958 3726 1 20 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.125 0.109 17958 3727 1 20 . 1 1 9 9 LEU C C 9 178.449 178.449 177.685 0.764 17958 3728 1 20 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.317 0.464 17958 3729 1 20 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.734 0.520 17958 3730 1 20 . 1 1 9 9 LEU H H 9 8.255 8.255 8.265 -0.010 17958 3731 1 20 . 1 1 10 10 THR N N 10 113.948 113.948 115.545 -1.597 17958 3732 1 20 . 1 1 10 10 THR HA H 10 4.194 4.194 3.972 0.222 17958 3733 1 20 . 1 1 10 10 THR C C 10 175.671 175.671 176.338 -0.667 17958 3734 1 20 . 1 1 10 10 THR CA C 10 65.157 65.157 66.912 -1.755 17958 3735 1 20 . 1 1 10 10 THR CB C 10 69.850 69.850 68.725 1.125 17958 3736 1 20 . 1 1 10 10 THR H H 10 8.008 8.008 7.341 0.667 17958 3737 1 20 . 1 1 11 11 LYS N N 11 120.215 120.215 120.419 -0.204 17958 3738 1 20 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.163 0.019 17958 3739 1 20 . 1 1 11 11 LYS C C 11 178.448 178.448 179.088 -0.640 17958 3740 1 20 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.714 0.390 17958 3741 1 20 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.288 -0.123 17958 3742 1 20 . 1 1 11 11 LYS H H 11 8.312 8.312 7.845 0.467 17958 3743 1 20 . 1 1 12 12 SER N N 12 114.597 114.597 113.556 1.041 17958 3744 1 20 . 1 1 12 12 SER HA H 12 4.318 4.318 4.322 -0.004 17958 3745 1 20 . 1 1 12 12 SER C C 12 175.635 175.635 174.797 0.838 17958 3746 1 20 . 1 1 12 12 SER CA C 12 61.156 61.156 59.844 1.312 17958 3747 1 20 . 1 1 12 12 SER CB C 12 63.074 63.074 63.962 -0.888 17958 3748 1 20 . 1 1 12 12 SER H H 12 8.068 8.068 8.181 -0.113 17958 3749 1 20 . 1 1 13 13 GLY N N 13 109.563 109.563 108.545 1.018 17958 3750 1 20 . 1 1 13 13 GLY C C 13 175.776 175.776 174.689 1.087 17958 3751 1 20 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.777 1.794 17958 3752 1 20 . 1 1 13 13 GLY H H 13 8.216 8.216 7.424 0.792 17958 3753 1 20 . 1 1 14 14 LEU N N 14 121.346 121.346 120.191 1.155 17958 3754 1 20 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.263 0.049 17958 3755 1 20 . 1 1 14 14 LEU C C 14 178.624 178.624 178.107 0.517 17958 3756 1 20 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.458 0.026 17958 3757 1 20 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.715 0.346 17958 3758 1 20 . 1 1 14 14 LEU H H 14 8.173 8.173 8.405 -0.232 17958 3759 1 20 . 1 1 15 15 SER N N 15 113.795 113.795 116.507 -2.712 17958 3760 1 20 . 1 1 15 15 SER HA H 15 4.385 4.385 4.386 -0.001 17958 3761 1 20 . 1 1 15 15 SER C C 15 175.964 175.964 176.213 -0.249 17958 3762 1 20 . 1 1 15 15 SER CA C 15 61.201 61.201 62.297 -1.096 17958 3763 1 20 . 1 1 15 15 SER CB C 15 63.397 63.397 62.591 0.806 17958 3764 1 20 . 1 1 15 15 SER H H 15 7.945 7.945 8.118 -0.173 17958 3765 1 20 . 1 1 16 16 VAL N N 16 121.965 121.965 120.728 1.237 17958 3766 1 20 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.794 0.198 17958 3767 1 20 . 1 1 16 16 VAL C C 16 177.176 177.176 176.493 0.683 17958 3768 1 20 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.910 0.509 17958 3769 1 20 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.993 0.021 17958 3770 1 20 . 1 1 16 16 VAL H H 16 7.913 7.913 8.041 -0.128 17958 3771 1 20 . 1 1 17 17 ASN N N 17 118.754 118.754 119.570 -0.816 17958 3772 1 20 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.515 0.117 17958 3773 1 20 . 1 1 17 17 ASN C C 17 176.930 176.930 176.926 0.004 17958 3774 1 20 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.464 -0.608 17958 3775 1 20 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.056 0.579 17958 3776 1 20 . 1 1 17 17 ASN H H 17 8.001 8.001 7.840 0.161 17958 3777 1 20 . 1 1 18 18 TRP N N 18 120.811 120.811 119.769 1.042 17958 3778 1 20 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.360 0.115 17958 3779 1 20 . 1 1 18 18 TRP C C 18 177.778 177.778 178.643 -0.865 17958 3780 1 20 . 1 1 18 18 TRP CA C 18 60.637 60.637 61.406 -0.769 17958 3781 1 20 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.050 -0.210 17958 3782 1 20 . 1 1 18 18 TRP H H 18 8.408 8.408 7.571 0.837 17958 3783 1 20 . 1 1 19 19 GLY N N 19 105.598 105.598 105.671 -0.073 17958 3784 1 20 . 1 1 19 19 GLY C C 19 177.037 177.037 176.445 0.592 17958 3785 1 20 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.290 -0.077 17958 3786 1 20 . 1 1 19 19 GLY H H 19 8.395 8.395 8.046 0.349 17958 3787 1 20 . 1 1 20 20 GLU N N 20 121.656 121.656 122.074 -0.418 17958 3788 1 20 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.110 0.043 17958 3789 1 20 . 1 1 20 20 GLU C C 20 177.792 177.792 179.052 -1.260 17958 3790 1 20 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.025 0.073 17958 3791 1 20 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.401 -1.475 17958 3792 1 20 . 1 1 20 20 GLU H H 20 8.345 8.345 7.674 0.671 17958 3793 1 20 . 1 1 21 21 ALA N N 21 122.688 122.688 122.206 0.482 17958 3794 1 20 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.064 0.042 17958 3795 1 20 . 1 1 21 21 ALA C C 21 180.552 180.552 179.837 0.715 17958 3796 1 20 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.851 0.479 17958 3797 1 20 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.258 -0.805 17958 3798 1 20 . 1 1 21 21 ALA H H 21 8.065 8.065 8.224 -0.159 17958 3799 1 20 . 1 1 22 22 PHE N N 22 119.865 119.865 118.915 0.950 17958 3800 1 20 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.148 0.018 17958 3801 1 20 . 1 1 22 22 PHE C C 22 177.877 177.877 177.242 0.635 17958 3802 1 20 . 1 1 22 22 PHE CA C 22 61.103 61.103 61.194 -0.091 17958 3803 1 20 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.465 -0.479 17958 3804 1 20 . 1 1 22 22 PHE H H 22 8.856 8.856 8.679 0.177 17958 3805 1 20 . 1 1 23 23 SER N N 23 113.333 113.333 115.155 -1.822 17958 3806 1 20 . 1 1 23 23 SER HA H 23 4.112 4.112 4.079 0.033 17958 3807 1 20 . 1 1 23 23 SER C C 23 177.301 177.301 176.626 0.675 17958 3808 1 20 . 1 1 23 23 SER CA C 23 61.555 61.555 61.147 0.408 17958 3809 1 20 . 1 1 23 23 SER CB C 23 63.024 63.024 63.088 -0.064 17958 3810 1 20 . 1 1 23 23 SER H H 23 8.238 8.238 8.107 0.131 17958 3811 1 20 . 1 1 24 24 ALA N N 24 125.834 125.834 122.221 3.613 17958 3812 1 20 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.158 -0.001 17958 3813 1 20 . 1 1 24 24 ALA C C 24 180.136 180.136 179.579 0.557 17958 3814 1 20 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.552 1.019 17958 3815 1 20 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.250 -0.830 17958 3816 1 20 . 1 1 24 24 ALA H H 24 8.437 8.437 7.573 0.864 17958 3817 1 20 . 1 1 25 25 GLY N N 25 106.183 106.183 106.364 -0.181 17958 3818 1 20 . 1 1 25 25 GLY C C 25 175.966 175.966 176.016 -0.050 17958 3819 1 20 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.435 0.669 17958 3820 1 20 . 1 1 25 25 GLY H H 25 8.038 8.038 7.483 0.555 17958 3821 1 20 . 1 1 26 26 VAL N N 26 120.836 120.836 122.797 -1.961 17958 3822 1 20 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.483 0.165 17958 3823 1 20 . 1 1 26 26 VAL C C 26 178.038 178.038 177.361 0.677 17958 3824 1 20 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.592 -0.023 17958 3825 1 20 . 1 1 26 26 VAL CB C 26 31.556 31.556 30.996 0.560 17958 3826 1 20 . 1 1 26 26 VAL H H 26 8.093 8.093 7.307 0.786 17958 3827 1 20 . 1 1 27 27 HIS N N 27 115.116 115.116 119.404 -4.288 17958 3828 1 20 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.306 -0.084 17958 3829 1 20 . 1 1 27 27 HIS C C 27 176.446 176.446 177.516 -1.070 17958 3830 1 20 . 1 1 27 27 HIS CA C 27 59.703 59.703 60.306 -0.603 17958 3831 1 20 . 1 1 27 27 HIS CB C 27 27.495 27.495 29.987 -2.492 17958 3832 1 20 . 1 1 27 27 HIS H H 27 8.005 8.005 7.698 0.307 17958 3833 1 20 . 1 1 28 28 ARG N N 28 119.021 119.021 119.695 -0.674 17958 3834 1 20 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.159 -0.014 17958 3835 1 20 . 1 1 28 28 ARG C C 28 178.390 178.390 178.665 -0.275 17958 3836 1 20 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.542 0.669 17958 3837 1 20 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.611 -0.108 17958 3838 1 20 . 1 1 28 28 ARG H H 28 8.090 8.090 7.600 0.490 17958 3839 1 20 . 1 1 29 29 LEU N N 29 120.208 120.208 119.128 1.080 17958 3840 1 20 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.117 0.040 17958 3841 1 20 . 1 1 29 29 LEU C C 29 179.176 179.176 178.633 0.543 17958 3842 1 20 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.722 -0.276 17958 3843 1 20 . 1 1 29 29 LEU CB C 29 42.046 42.046 42.077 -0.031 17958 3844 1 20 . 1 1 29 29 LEU H H 29 8.057 8.057 7.811 0.246 17958 3845 1 20 . 1 1 30 30 ALA N N 30 120.604 120.604 119.594 1.010 17958 3846 1 20 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.101 0.096 17958 3847 1 20 . 1 1 30 30 ALA C C 30 178.350 178.350 179.010 -0.660 17958 3848 1 20 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.809 -0.966 17958 3849 1 20 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.237 -0.404 17958 3850 1 20 . 1 1 30 30 ALA H H 30 8.242 8.242 7.870 0.372 17958 3851 1 20 . 1 1 31 31 ASN N N 31 114.606 114.606 117.940 -3.334 17958 3852 1 20 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.662 0.096 17958 3853 1 20 . 1 1 31 31 ASN C C 31 175.996 175.996 176.444 -0.448 17958 3854 1 20 . 1 1 31 31 ASN CA C 31 53.339 53.339 54.792 -1.453 17958 3855 1 20 . 1 1 31 31 ASN CB C 31 39.096 39.096 39.897 -0.801 17958 3856 1 20 . 1 1 31 31 ASN H H 31 7.798 7.798 7.849 -0.051 17958 3857 1 20 . 1 1 32 32 GLY N N 32 106.804 106.804 108.315 -1.511 17958 3858 1 20 . 1 1 32 32 GLY C C 32 174.824 174.824 174.029 0.795 17958 3859 1 20 . 1 1 32 32 GLY CA C 32 45.902 45.902 44.105 1.797 17958 3860 1 20 . 1 1 32 32 GLY H H 32 8.021 8.021 8.286 -0.265 17958 3861 1 20 . 1 1 33 33 GLY N N 33 107.126 107.126 112.469 -5.343 17958 3862 1 20 . 1 1 33 33 GLY C C 33 173.800 173.800 174.109 -0.309 17958 3863 1 20 . 1 1 33 33 GLY CA C 33 45.412 45.412 45.288 0.124 17958 3864 1 20 . 1 1 33 33 GLY H H 33 8.156 8.156 8.122 0.034 17958 3865 1 20 . 1 1 34 34 ASN N N 34 116.972 116.972 119.085 -2.113 17958 3866 1 20 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.844 -0.105 17958 3867 1 20 . 1 1 34 34 ASN C C 34 175.053 175.053 175.130 -0.077 17958 3868 1 20 . 1 1 34 34 ASN CA C 34 53.170 53.170 52.755 0.414 17958 3869 1 20 . 1 1 34 34 ASN CB C 34 38.857 38.857 39.495 -0.638 17958 3870 1 20 . 1 1 34 34 ASN H H 34 7.777 7.777 7.688 0.089 17958 3871 1 20 . 1 1 35 35 GLY N N 35 106.758 106.758 115.723 -8.965 17958 3872 1 20 . 1 1 35 35 GLY C C 35 173.201 173.201 175.237 -2.036 17958 3873 1 20 . 1 1 35 35 GLY CA C 35 45.065 45.065 46.847 -1.782 17958 3874 1 20 . 1 1 35 35 GLY H H 35 7.875 7.875 8.727 -0.852 17958 3875 1 20 . 1 1 36 36 PHE N N 36 118.486 118.486 121.337 -2.851 17958 3876 1 20 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.878 -0.298 17958 3877 1 20 . 1 1 36 36 PHE C C 36 174.925 174.925 175.909 -0.984 17958 3878 1 20 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.336 0.639 17958 3879 1 20 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.245 0.297 17958 3880 1 20 . 1 1 36 36 PHE H H 36 7.537 7.537 7.312 0.225 17958 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 35 1.886 0.629 1.804 17958 2 1 1 "Average Difference" HA 41 0.163 -0.060 0.153 17958 3 1 1 "Average Difference" C 35 0.788 -0.092 0.794 17958 4 1 1 "Average Difference" CA 35 0.831 -0.184 0.823 17958 5 1 1 "Average Difference" CB 27 1.074 0.085 1.091 17958 6 1 1 "Average Difference" HN 35 0.458 -0.061 0.460 17958 7 1 2 "Average Difference" N 35 2.536 1.073 2.331 17958 8 1 2 "Average Difference" HA 41 0.214 -0.043 0.213 17958 9 1 2 "Average Difference" C 35 0.786 -0.121 0.788 17958 10 1 2 "Average Difference" CA 35 0.805 -0.320 0.750 17958 11 1 2 "Average Difference" CB 27 0.909 0.173 0.909 17958 12 1 2 "Average Difference" HN 35 0.550 -0.052 0.556 17958 13 1 3 "Average Difference" N 35 2.859 1.107 2.675 17958 14 1 3 "Average Difference" HA 41 0.176 -0.047 0.172 17958 15 1 3 "Average Difference" C 35 0.866 -0.163 0.863 17958 16 1 3 "Average Difference" CA 35 0.935 -0.323 0.890 17958 17 1 3 "Average Difference" CB 27 0.995 0.145 1.003 17958 18 1 3 "Average Difference" HN 35 0.471 -0.080 0.471 17958 19 1 4 "Average Difference" N 35 2.415 0.822 2.304 17958 20 1 4 "Average Difference" HA 41 0.222 -0.085 0.208 17958 21 1 4 "Average Difference" C 35 0.769 -0.050 0.778 17958 22 1 4 "Average Difference" CA 35 0.957 -0.307 0.920 17958 23 1 4 "Average Difference" CB 27 1.090 0.001 1.110 17958 24 1 4 "Average Difference" HN 35 0.431 -0.173 0.400 17958 25 1 5 "Average Difference" N 35 2.244 0.806 2.125 17958 26 1 5 "Average Difference" HA 41 0.197 -0.079 0.183 17958 27 1 5 "Average Difference" C 35 0.772 -0.108 0.776 17958 28 1 5 "Average Difference" CA 35 0.863 -0.354 0.799 17958 29 1 5 "Average Difference" CB 27 1.032 0.185 1.034 17958 30 1 5 "Average Difference" HN 35 0.452 -0.130 0.440 17958 31 1 6 "Average Difference" N 35 1.805 0.454 1.772 17958 32 1 6 "Average Difference" HA 41 0.218 -0.090 0.201 17958 33 1 6 "Average Difference" C 35 0.793 -0.138 0.792 17958 34 1 6 "Average Difference" CA 35 0.934 -0.284 0.903 17958 35 1 6 "Average Difference" CB 27 0.955 0.217 0.948 17958 36 1 6 "Average Difference" HN 35 0.522 -0.111 0.517 17958 37 1 7 "Average Difference" N 35 2.200 0.771 2.090 17958 38 1 7 "Average Difference" HA 41 0.251 -0.065 0.246 17958 39 1 7 "Average Difference" C 35 0.800 -0.097 0.805 17958 40 1 7 "Average Difference" CA 35 0.827 -0.324 0.772 17958 41 1 7 "Average Difference" CB 27 0.898 0.059 0.913 17958 42 1 7 "Average Difference" HN 35 0.515 -0.079 0.517 17958 43 1 8 "Average Difference" N 35 1.966 0.440 1.944 17958 44 1 8 "Average Difference" HA 41 0.215 -0.066 0.207 17958 45 1 8 "Average Difference" C 35 0.723 -0.000 0.734 17958 46 1 8 "Average Difference" CA 35 0.868 -0.251 0.843 17958 47 1 8 "Average Difference" CB 27 1.028 0.131 1.039 17958 48 1 8 "Average Difference" HN 35 0.464 -0.098 0.461 17958 49 1 9 "Average Difference" N 35 2.175 0.611 2.118 17958 50 1 9 "Average Difference" HA 41 0.193 -0.073 0.181 17958 51 1 9 "Average Difference" C 35 0.804 -0.164 0.799 17958 52 1 9 "Average Difference" CA 35 0.888 -0.198 0.878 17958 53 1 9 "Average Difference" CB 27 0.954 0.257 0.936 17958 54 1 9 "Average Difference" HN 35 0.539 -0.097 0.538 17958 55 1 10 "Average Difference" N 35 2.299 0.680 2.228 17958 56 1 10 "Average Difference" HA 41 0.178 -0.057 0.171 17958 57 1 10 "Average Difference" C 35 0.891 0.036 0.903 17958 58 1 10 "Average Difference" CA 35 0.798 -0.269 0.762 17958 59 1 10 "Average Difference" CB 27 0.936 0.188 0.934 17958 60 1 10 "Average Difference" HN 35 0.506 -0.059 0.510 17958 61 1 11 "Average Difference" N 35 2.487 0.993 2.313 17958 62 1 11 "Average Difference" HA 41 0.189 -0.099 0.163 17958 63 1 11 "Average Difference" C 35 0.787 -0.075 0.795 17958 64 1 11 "Average Difference" CA 35 0.915 -0.162 0.914 17958 65 1 11 "Average Difference" CB 27 1.027 0.043 1.046 17958 66 1 11 "Average Difference" HN 35 0.500 -0.086 0.500 17958 67 1 12 "Average Difference" N 35 1.902 0.411 1.884 17958 68 1 12 "Average Difference" HA 41 0.193 -0.068 0.182 17958 69 1 12 "Average Difference" C 35 0.763 -0.041 0.773 17958 70 1 12 "Average Difference" CA 35 0.862 -0.216 0.846 17958 71 1 12 "Average Difference" CB 27 0.824 0.200 0.814 17958 72 1 12 "Average Difference" HN 35 0.474 -0.058 0.477 17958 73 1 13 "Average Difference" N 35 2.360 0.758 2.267 17958 74 1 13 "Average Difference" HA 41 0.178 -0.040 0.175 17958 75 1 13 "Average Difference" C 35 0.709 -0.094 0.713 17958 76 1 13 "Average Difference" CA 35 0.768 -0.228 0.744 17958 77 1 13 "Average Difference" CB 27 1.084 0.276 1.068 17958 78 1 13 "Average Difference" HN 35 0.459 -0.048 0.463 17958 79 1 14 "Average Difference" N 35 2.253 0.439 2.242 17958 80 1 14 "Average Difference" HA 41 0.213 -0.070 0.203 17958 81 1 14 "Average Difference" C 35 0.731 -0.144 0.728 17958 82 1 14 "Average Difference" CA 35 0.848 -0.331 0.792 17958 83 1 14 "Average Difference" CB 27 0.959 0.154 0.965 17958 84 1 14 "Average Difference" HN 35 0.512 -0.104 0.509 17958 85 1 15 "Average Difference" N 35 1.862 0.667 1.764 17958 86 1 15 "Average Difference" HA 41 0.191 -0.064 0.183 17958 87 1 15 "Average Difference" C 35 0.796 -0.028 0.807 17958 88 1 15 "Average Difference" CA 35 0.889 -0.116 0.894 17958 89 1 15 "Average Difference" CB 27 0.896 0.050 0.912 17958 90 1 15 "Average Difference" HN 35 0.629 -0.097 0.631 17958 91 1 16 "Average Difference" N 35 2.297 0.871 2.156 17958 92 1 16 "Average Difference" HA 41 0.170 -0.082 0.151 17958 93 1 16 "Average Difference" C 35 0.804 -0.129 0.805 17958 94 1 16 "Average Difference" CA 35 0.899 -0.349 0.840 17958 95 1 16 "Average Difference" CB 27 1.001 0.206 0.998 17958 96 1 16 "Average Difference" HN 35 0.536 -0.097 0.535 17958 97 1 17 "Average Difference" N 35 2.094 0.687 2.007 17958 98 1 17 "Average Difference" HA 41 0.135 -0.054 0.125 17958 99 1 17 "Average Difference" C 35 0.824 -0.129 0.826 17958 100 1 17 "Average Difference" CA 35 0.860 -0.280 0.825 17958 101 1 17 "Average Difference" CB 27 0.909 0.177 0.908 17958 102 1 17 "Average Difference" HN 35 0.552 -0.110 0.549 17958 103 1 18 "Average Difference" N 35 2.281 1.114 2.020 17958 104 1 18 "Average Difference" HA 41 0.185 -0.043 0.182 17958 105 1 18 "Average Difference" C 35 0.779 -0.127 0.780 17958 106 1 18 "Average Difference" CA 35 0.831 -0.300 0.787 17958 107 1 18 "Average Difference" CB 27 0.925 0.182 0.924 17958 108 1 18 "Average Difference" HN 35 0.480 -0.066 0.482 17958 109 1 19 "Average Difference" N 35 2.121 0.952 1.923 17958 110 1 19 "Average Difference" HA 41 0.203 -0.122 0.164 17958 111 1 19 "Average Difference" C 35 0.775 -0.170 0.767 17958 112 1 19 "Average Difference" CA 35 0.816 -0.235 0.793 17958 113 1 19 "Average Difference" CB 27 1.135 0.056 1.155 17958 114 1 19 "Average Difference" HN 35 0.511 -0.174 0.487 17958 115 1 20 "Average Difference" N 35 2.880 0.986 2.746 17958 116 1 20 "Average Difference" HA 41 0.154 -0.033 0.153 17958 117 1 20 "Average Difference" C 35 0.829 -0.069 0.838 17958 118 1 20 "Average Difference" CA 35 0.927 -0.174 0.924 17958 119 1 20 "Average Difference" CB 27 0.791 0.243 0.768 17958 120 1 20 "Average Difference" HN 35 0.516 -0.103 0.513 17958 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 17958 _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 TYR N N 2 121.377 121.377 121.196 0.181 17958 2 1 . 1 1 2 2 TYR HA H 2 4.585 4.585 4.553 0.032 17958 3 1 . 1 1 2 2 TYR C C 2 174.972 174.972 175.108 -0.136 17958 4 1 . 1 1 2 2 TYR CA C 2 58.119 58.119 57.414 0.705 17958 5 1 . 1 1 2 2 TYR CB C 2 38.965 38.965 38.445 0.520 17958 6 1 . 1 1 2 2 TYR H H 2 8.202 8.202 8.093 0.109 17958 7 1 . 1 1 3 3 TYR N N 3 122.159 122.159 122.595 -0.436 17958 8 1 . 1 1 3 3 TYR HA H 3 4.522 4.522 4.565 -0.043 17958 9 1 . 1 1 3 3 TYR C C 3 175.832 175.832 175.599 0.233 17958 10 1 . 1 1 3 3 TYR CA C 3 58.105 58.105 58.084 0.021 17958 11 1 . 1 1 3 3 TYR CB C 3 38.683 38.683 38.494 0.189 17958 12 1 . 1 1 3 3 TYR H H 3 7.680 7.680 8.319 -0.639 17958 13 1 . 1 1 4 4 GLY N N 4 106.493 106.493 110.092 -3.599 17958 14 1 . 1 1 4 4 GLY C C 4 173.959 173.959 174.203 -0.244 17958 15 1 . 1 1 4 4 GLY CA C 4 45.733 45.733 44.815 0.918 17958 16 1 . 1 1 4 4 GLY H H 4 6.940 6.940 8.012 -1.072 17958 17 1 . 1 1 5 5 ASN N N 5 117.075 117.075 120.302 -3.227 17958 18 1 . 1 1 5 5 ASN HA H 5 4.724 4.724 4.640 0.084 17958 19 1 . 1 1 5 5 ASN C C 5 176.312 176.312 175.767 0.545 17958 20 1 . 1 1 5 5 ASN CA C 5 54.293 54.293 53.585 0.708 17958 21 1 . 1 1 5 5 ASN CB C 5 38.349 38.349 38.433 -0.084 17958 22 1 . 1 1 5 5 ASN H H 5 7.973 7.973 8.520 -0.547 17958 23 1 . 1 1 6 6 GLY N N 6 107.279 107.279 108.268 -0.989 17958 24 1 . 1 1 6 6 GLY C C 6 175.528 175.528 175.140 0.388 17958 25 1 . 1 1 6 6 GLY CA C 6 46.523 46.523 44.935 1.588 17958 26 1 . 1 1 6 6 GLY H H 6 8.279 8.279 8.180 0.099 17958 27 1 . 1 1 7 7 VAL N N 7 121.566 121.566 120.255 1.311 17958 28 1 . 1 1 7 7 VAL HA H 7 3.842 3.842 3.839 0.003 17958 29 1 . 1 1 7 7 VAL C C 7 177.059 177.059 176.732 0.327 17958 30 1 . 1 1 7 7 VAL CA C 7 65.594 65.594 64.579 1.015 17958 31 1 . 1 1 7 7 VAL CB C 7 32.023 32.023 31.742 0.281 17958 32 1 . 1 1 7 7 VAL H H 7 7.835 7.835 7.878 -0.043 17958 33 1 . 1 1 8 8 HIS N N 8 117.806 117.806 118.776 -0.970 17958 34 1 . 1 1 8 8 HIS HA H 8 4.526 4.526 4.463 0.063 17958 35 1 . 1 1 8 8 HIS C C 8 176.479 176.479 177.652 -1.173 17958 36 1 . 1 1 8 8 HIS CA C 8 57.952 57.952 58.782 -0.830 17958 37 1 . 1 1 8 8 HIS CB C 8 28.351 28.351 29.689 -1.338 17958 38 1 . 1 1 8 8 HIS H H 8 8.093 8.093 8.294 -0.201 17958 39 1 . 1 1 9 9 LEU N N 9 120.856 120.856 119.092 1.764 17958 40 1 . 1 1 9 9 LEU HA H 9 4.234 4.234 4.124 0.110 17958 41 1 . 1 1 9 9 LEU C C 9 178.449 178.449 177.871 0.578 17958 42 1 . 1 1 9 9 LEU CA C 9 57.781 57.781 57.288 0.493 17958 43 1 . 1 1 9 9 LEU CB C 9 42.254 42.254 41.768 0.486 17958 44 1 . 1 1 9 9 LEU H H 9 8.255 8.255 8.218 0.037 17958 45 1 . 1 1 10 10 THR N N 10 113.948 113.948 115.758 -1.810 17958 46 1 . 1 1 10 10 THR HA H 10 4.194 4.194 3.959 0.235 17958 47 1 . 1 1 10 10 THR C C 10 175.671 175.671 176.345 -0.674 17958 48 1 . 1 1 10 10 THR CA C 10 65.157 65.157 66.910 -1.753 17958 49 1 . 1 1 10 10 THR CB C 10 69.850 69.850 68.706 1.144 17958 50 1 . 1 1 10 10 THR H H 10 8.008 8.008 7.347 0.661 17958 51 1 . 1 1 11 11 LYS N N 11 120.215 120.215 120.555 -0.340 17958 52 1 . 1 1 11 11 LYS HA H 11 4.182 4.182 4.133 0.049 17958 53 1 . 1 1 11 11 LYS C C 11 178.448 178.448 179.011 -0.563 17958 54 1 . 1 1 11 11 LYS CA C 11 59.104 59.104 58.580 0.524 17958 55 1 . 1 1 11 11 LYS CB C 11 32.165 32.165 32.189 -0.024 17958 56 1 . 1 1 11 11 LYS H H 11 8.312 8.312 7.793 0.519 17958 57 1 . 1 1 12 12 SER N N 12 114.597 114.597 113.593 1.004 17958 58 1 . 1 1 12 12 SER HA H 12 4.318 4.318 4.266 0.052 17958 59 1 . 1 1 12 12 SER C C 12 175.635 175.635 174.897 0.738 17958 60 1 . 1 1 12 12 SER CA C 12 61.156 61.156 59.965 1.191 17958 61 1 . 1 1 12 12 SER CB C 12 63.074 63.074 63.896 -0.822 17958 62 1 . 1 1 12 12 SER H H 12 8.068 8.068 8.108 -0.040 17958 63 1 . 1 1 13 13 GLY N N 13 109.563 109.563 108.251 1.312 17958 64 1 . 1 1 13 13 GLY C C 13 175.776 175.776 174.309 1.467 17958 65 1 . 1 1 13 13 GLY CA C 13 46.571 46.571 44.824 1.747 17958 66 1 . 1 1 13 13 GLY H H 13 8.216 8.216 7.454 0.762 17958 67 1 . 1 1 14 14 LEU N N 14 121.346 121.346 119.716 1.630 17958 68 1 . 1 1 14 14 LEU HA H 14 4.312 4.312 4.172 0.140 17958 69 1 . 1 1 14 14 LEU C C 14 178.624 178.624 177.651 0.973 17958 70 1 . 1 1 14 14 LEU CA C 14 57.484 57.484 57.717 -0.233 17958 71 1 . 1 1 14 14 LEU CB C 14 42.061 42.061 41.518 0.544 17958 72 1 . 1 1 14 14 LEU H H 14 8.173 8.173 8.310 -0.137 17958 73 1 . 1 1 15 15 SER N N 15 113.795 113.795 115.855 -2.060 17958 74 1 . 1 1 15 15 SER HA H 15 4.385 4.385 4.260 0.126 17958 75 1 . 1 1 15 15 SER C C 15 175.964 175.964 176.479 -0.515 17958 76 1 . 1 1 15 15 SER CA C 15 61.201 61.201 61.467 -0.266 17958 77 1 . 1 1 15 15 SER CB C 15 63.397 63.397 62.482 0.915 17958 78 1 . 1 1 15 15 SER H H 15 7.945 7.945 8.273 -0.328 17958 79 1 . 1 1 16 16 VAL N N 16 121.965 121.965 121.711 0.254 17958 80 1 . 1 1 16 16 VAL HA H 16 3.992 3.992 3.887 0.105 17958 81 1 . 1 1 16 16 VAL C C 16 177.176 177.176 177.030 0.146 17958 82 1 . 1 1 16 16 VAL CA C 16 65.419 65.419 64.229 1.190 17958 83 1 . 1 1 16 16 VAL CB C 16 32.014 32.014 31.597 0.417 17958 84 1 . 1 1 16 16 VAL H H 16 7.913 7.913 7.888 0.025 17958 85 1 . 1 1 17 17 ASN N N 17 118.754 118.754 118.961 -0.207 17958 86 1 . 1 1 17 17 ASN HA H 17 4.632 4.632 4.529 0.103 17958 87 1 . 1 1 17 17 ASN C C 17 176.930 176.930 177.093 -0.163 17958 88 1 . 1 1 17 17 ASN CA C 17 55.856 55.856 56.655 -0.799 17958 89 1 . 1 1 17 17 ASN CB C 17 38.635 38.635 38.567 0.068 17958 90 1 . 1 1 17 17 ASN H H 17 8.001 8.001 8.387 -0.386 17958 91 1 . 1 1 18 18 TRP N N 18 120.811 120.811 122.093 -1.282 17958 92 1 . 1 1 18 18 TRP HA H 18 4.475 4.475 4.424 0.051 17958 93 1 . 1 1 18 18 TRP C C 18 177.778 177.778 178.229 -0.451 17958 94 1 . 1 1 18 18 TRP CA C 18 60.637 60.637 60.874 -0.237 17958 95 1 . 1 1 18 18 TRP CB C 18 28.840 28.840 29.451 -0.611 17958 96 1 . 1 1 18 18 TRP H H 18 8.408 8.408 7.912 0.496 17958 97 1 . 1 1 19 19 GLY N N 19 105.598 105.598 105.926 -0.328 17958 98 1 . 1 1 19 19 GLY C C 19 177.037 177.037 176.166 0.871 17958 99 1 . 1 1 19 19 GLY CA C 19 47.213 47.213 47.269 -0.056 17958 100 1 . 1 1 19 19 GLY H H 19 8.395 8.395 8.102 0.293 17958 101 1 . 1 1 20 20 GLU N N 20 121.656 121.656 122.164 -0.508 17958 102 1 . 1 1 20 20 GLU HA H 20 4.153 4.153 4.077 0.076 17958 103 1 . 1 1 20 20 GLU C C 20 177.792 177.792 178.938 -1.146 17958 104 1 . 1 1 20 20 GLU CA C 20 59.098 59.098 59.140 -0.042 17958 105 1 . 1 1 20 20 GLU CB C 20 27.926 27.926 29.545 -1.619 17958 106 1 . 1 1 20 20 GLU H H 20 8.345 8.345 7.762 0.583 17958 107 1 . 1 1 21 21 ALA N N 21 122.688 122.688 122.256 0.432 17958 108 1 . 1 1 21 21 ALA HA H 21 4.106 4.106 4.102 0.004 17958 109 1 . 1 1 21 21 ALA C C 21 180.552 180.552 179.614 0.938 17958 110 1 . 1 1 21 21 ALA CA C 21 55.330 55.330 54.833 0.497 17958 111 1 . 1 1 21 21 ALA CB C 21 17.453 17.453 18.285 -0.832 17958 112 1 . 1 1 21 21 ALA H H 21 8.065 8.065 8.085 -0.020 17958 113 1 . 1 1 22 22 PHE N N 22 119.865 119.865 119.129 0.736 17958 114 1 . 1 1 22 22 PHE HA H 22 4.166 4.166 4.014 0.152 17958 115 1 . 1 1 22 22 PHE C C 22 177.877 177.877 177.236 0.641 17958 116 1 . 1 1 22 22 PHE CA C 22 61.103 61.103 60.936 0.167 17958 117 1 . 1 1 22 22 PHE CB C 22 38.986 38.986 39.161 -0.175 17958 118 1 . 1 1 22 22 PHE H H 22 8.856 8.856 8.246 0.610 17958 119 1 . 1 1 23 23 SER N N 23 113.333 113.333 115.157 -1.824 17958 120 1 . 1 1 23 23 SER HA H 23 4.112 4.112 4.004 0.108 17958 121 1 . 1 1 23 23 SER C C 23 177.301 177.301 176.601 0.700 17958 122 1 . 1 1 23 23 SER CA C 23 61.555 61.555 61.776 -0.221 17958 123 1 . 1 1 23 23 SER CB C 23 63.024 63.024 62.962 0.062 17958 124 1 . 1 1 23 23 SER H H 23 8.238 8.238 8.023 0.215 17958 125 1 . 1 1 24 24 ALA N N 24 125.834 125.834 123.185 2.649 17958 126 1 . 1 1 24 24 ALA HA H 24 4.157 4.157 4.053 0.104 17958 127 1 . 1 1 24 24 ALA C C 24 180.136 180.136 179.587 0.549 17958 128 1 . 1 1 24 24 ALA CA C 24 55.571 55.571 54.720 0.851 17958 129 1 . 1 1 24 24 ALA CB C 24 17.420 17.420 18.221 -0.801 17958 130 1 . 1 1 24 24 ALA H H 24 8.437 8.437 7.551 0.886 17958 131 1 . 1 1 25 25 GLY N N 25 106.183 106.183 106.543 -0.360 17958 132 1 . 1 1 25 25 GLY C C 25 175.966 175.966 176.090 -0.124 17958 133 1 . 1 1 25 25 GLY CA C 25 47.104 47.104 46.736 0.368 17958 134 1 . 1 1 25 25 GLY H H 25 8.038 8.038 7.627 0.411 17958 135 1 . 1 1 26 26 VAL N N 26 120.836 120.836 122.500 -1.664 17958 136 1 . 1 1 26 26 VAL HA H 26 3.648 3.648 3.476 0.172 17958 137 1 . 1 1 26 26 VAL C C 26 178.038 178.038 177.370 0.668 17958 138 1 . 1 1 26 26 VAL CA C 26 66.569 66.569 66.685 -0.116 17958 139 1 . 1 1 26 26 VAL CB C 26 31.556 31.556 31.066 0.490 17958 140 1 . 1 1 26 26 VAL H H 26 8.093 8.093 7.506 0.587 17958 141 1 . 1 1 27 27 HIS N N 27 115.116 115.116 119.175 -4.059 17958 142 1 . 1 1 27 27 HIS HA H 27 4.222 4.222 4.240 -0.018 17958 143 1 . 1 1 27 27 HIS C C 27 176.446 176.446 177.468 -1.022 17958 144 1 . 1 1 27 27 HIS CA C 27 59.703 59.703 59.814 -0.111 17958 145 1 . 1 1 27 27 HIS CB C 27 27.495 27.495 30.005 -2.510 17958 146 1 . 1 1 27 27 HIS H H 27 8.005 8.005 7.787 0.218 17958 147 1 . 1 1 28 28 ARG N N 28 119.021 119.021 119.153 -0.132 17958 148 1 . 1 1 28 28 ARG HA H 28 4.145 4.145 4.034 0.111 17958 149 1 . 1 1 28 28 ARG C C 28 178.390 178.390 178.549 -0.159 17958 150 1 . 1 1 28 28 ARG CA C 28 59.211 59.211 58.518 0.693 17958 151 1 . 1 1 28 28 ARG CB C 28 29.503 29.503 29.771 -0.268 17958 152 1 . 1 1 28 28 ARG H H 28 8.090 8.090 7.565 0.525 17958 153 1 . 1 1 29 29 LEU N N 29 120.208 120.208 119.234 0.974 17958 154 1 . 1 1 29 29 LEU HA H 29 4.157 4.157 4.007 0.150 17958 155 1 . 1 1 29 29 LEU C C 29 179.176 179.176 178.487 0.689 17958 156 1 . 1 1 29 29 LEU CA C 29 57.446 57.446 57.595 -0.149 17958 157 1 . 1 1 29 29 LEU CB C 29 42.046 42.046 41.877 0.169 17958 158 1 . 1 1 29 29 LEU H H 29 8.057 8.057 7.848 0.209 17958 159 1 . 1 1 30 30 ALA N N 30 120.604 120.604 119.998 0.606 17958 160 1 . 1 1 30 30 ALA HA H 30 4.197 4.197 4.018 0.179 17958 161 1 . 1 1 30 30 ALA C C 30 178.350 178.350 178.512 -0.162 17958 162 1 . 1 1 30 30 ALA CA C 30 53.843 53.843 54.422 -0.579 17958 163 1 . 1 1 30 30 ALA CB C 30 17.833 17.833 18.653 -0.820 17958 164 1 . 1 1 30 30 ALA H H 30 8.242 8.242 7.797 0.445 17958 165 1 . 1 1 31 31 ASN N N 31 114.606 114.606 116.935 -2.329 17958 166 1 . 1 1 31 31 ASN HA H 31 4.758 4.758 4.651 0.107 17958 167 1 . 1 1 31 31 ASN C C 31 175.996 175.996 175.505 0.491 17958 168 1 . 1 1 31 31 ASN CA C 31 53.339 53.339 53.444 -0.105 17958 169 1 . 1 1 31 31 ASN CB C 31 39.096 39.096 38.343 0.753 17958 170 1 . 1 1 31 31 ASN H H 31 7.798 7.798 7.676 0.122 17958 171 1 . 1 1 32 32 GLY N N 32 106.804 106.804 108.732 -1.928 17958 172 1 . 1 1 32 32 GLY C C 32 174.824 174.824 173.995 0.829 17958 173 1 . 1 1 32 32 GLY CA C 32 45.902 45.902 45.185 0.717 17958 174 1 . 1 1 32 32 GLY H H 32 8.021 8.021 7.973 0.048 17958 175 1 . 1 1 33 33 GLY N N 33 107.126 107.126 110.180 -3.054 17958 176 1 . 1 1 33 33 GLY C C 33 173.800 173.800 174.161 -0.361 17958 177 1 . 1 1 33 33 GLY CA C 33 45.412 45.412 44.959 0.453 17958 178 1 . 1 1 33 33 GLY H H 33 8.156 8.156 8.167 -0.011 17958 179 1 . 1 1 34 34 ASN N N 34 116.972 116.972 120.563 -3.591 17958 180 1 . 1 1 34 34 ASN HA H 34 4.739 4.739 4.760 -0.021 17958 181 1 . 1 1 34 34 ASN C C 34 175.053 175.053 175.337 -0.284 17958 182 1 . 1 1 34 34 ASN CA C 34 53.170 53.170 53.194 -0.024 17958 183 1 . 1 1 34 34 ASN CB C 34 38.857 38.857 39.238 -0.381 17958 184 1 . 1 1 34 34 ASN H H 34 7.777 7.777 8.069 -0.292 17958 185 1 . 1 1 35 35 GLY N N 35 106.758 106.758 109.313 -2.555 17958 186 1 . 1 1 35 35 GLY C C 35 173.201 173.201 173.646 -0.445 17958 187 1 . 1 1 35 35 GLY CA C 35 45.065 45.065 44.887 0.178 17958 188 1 . 1 1 35 35 GLY H H 35 7.875 7.875 8.153 -0.278 17958 189 1 . 1 1 36 36 PHE N N 36 118.486 118.486 120.806 -2.321 17958 190 1 . 1 1 36 36 PHE HA H 36 4.580 4.580 4.842 -0.262 17958 191 1 . 1 1 36 36 PHE C C 36 174.925 174.925 175.744 -0.819 17958 192 1 . 1 1 36 36 PHE CA C 36 57.975 57.975 57.370 0.605 17958 193 1 . 1 1 36 36 PHE CB C 36 39.542 39.542 39.387 0.155 17958 194 1 . 1 1 36 36 PHE H H 36 7.537 7.537 8.110 -0.573 17958 stop_ save_