data_25818 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25818 _Entry.PDB_ID 2N7R 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 25818 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 SER N N 2 115.072 115.072 115.716 -0.644 25818 2 1 1 . 1 1 2 2 SER HA H 2 4.322 4.322 4.233 0.089 25818 3 1 1 . 1 1 2 2 SER C C 2 175.102 175.102 176.270 -1.168 25818 4 1 1 . 1 1 2 2 SER CA C 2 58.862 58.862 61.092 -2.230 25818 5 1 1 . 1 1 2 2 SER CB C 2 63.783 63.783 62.929 0.854 25818 6 1 1 . 1 1 2 2 SER H H 2 8.287 8.287 8.485 -0.198 25818 7 1 1 . 1 1 3 3 LYS N N 3 122.944 122.944 120.760 2.184 25818 8 1 1 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.343 -0.120 25818 9 1 1 . 1 1 3 3 LYS C C 3 177.259 177.259 179.078 -1.819 25818 10 1 1 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.485 -2.001 25818 11 1 1 . 1 1 3 3 LYS CB C 3 32.230 32.230 31.968 0.262 25818 12 1 1 . 1 1 3 3 LYS H H 3 8.418 8.418 8.449 -0.031 25818 13 1 1 . 1 1 4 4 GLU N N 4 119.651 119.651 119.602 0.049 25818 14 1 1 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.083 0.003 25818 15 1 1 . 1 1 4 4 GLU C C 4 177.164 177.164 178.973 -1.809 25818 16 1 1 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.440 -0.566 25818 17 1 1 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.274 0.133 25818 18 1 1 . 1 1 4 4 GLU H H 4 8.583 8.583 8.338 0.245 25818 19 1 1 . 1 1 5 5 LEU N N 5 119.754 119.754 119.323 0.431 25818 20 1 1 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.936 0.233 25818 21 1 1 . 1 1 5 5 LEU C C 5 178.517 178.517 179.014 -0.497 25818 22 1 1 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.060 -1.424 25818 23 1 1 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.907 0.023 25818 24 1 1 . 1 1 5 5 LEU H H 5 8.069 8.069 7.770 0.299 25818 25 1 1 . 1 1 6 6 GLU N N 6 121.615 121.615 120.043 1.572 25818 26 1 1 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.941 0.147 25818 27 1 1 . 1 1 6 6 GLU C C 6 177.306 177.306 179.336 -2.030 25818 28 1 1 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.790 -0.782 25818 29 1 1 . 1 1 6 6 GLU H H 6 8.367 8.367 8.091 0.276 25818 30 1 1 . 1 1 7 7 LEU N N 7 119.398 119.398 120.827 -1.429 25818 31 1 1 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.462 -0.636 25818 32 1 1 . 1 1 7 7 LEU H H 7 8.215 8.215 8.285 -0.070 25818 33 1 1 . 1 1 8 8 ILE N N 8 120.843 120.843 118.860 1.983 25818 34 1 1 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.889 -0.587 25818 35 1 1 . 1 1 8 8 ILE H H 8 8.518 8.518 7.883 0.635 25818 36 1 1 . 1 1 9 9 THR N N 9 115.829 115.829 116.891 -1.062 25818 37 1 1 . 1 1 9 9 THR CA C 9 67.586 67.586 67.001 0.585 25818 38 1 1 . 1 1 9 9 THR H H 9 7.782 7.782 8.098 -0.316 25818 39 1 1 . 1 1 10 10 LEU N N 10 119.886 119.886 122.356 -2.470 25818 40 1 1 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.978 -0.024 25818 41 1 1 . 1 1 10 10 LEU C C 10 177.875 177.875 178.777 -0.902 25818 42 1 1 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.839 -0.355 25818 43 1 1 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.647 0.315 25818 44 1 1 . 1 1 10 10 LEU H H 10 8.086 8.086 8.447 -0.361 25818 45 1 1 . 1 1 11 11 THR N N 11 114.351 114.351 116.106 -1.755 25818 46 1 1 . 1 1 11 11 THR HA H 11 4.220 4.220 4.027 0.193 25818 47 1 1 . 1 1 11 11 THR CA C 11 67.939 67.939 67.226 0.713 25818 48 1 1 . 1 1 11 11 THR H H 11 8.033 8.033 8.276 -0.243 25818 49 1 1 . 1 1 12 12 VAL N N 12 120.398 120.398 120.657 -0.259 25818 50 1 1 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.651 -0.083 25818 51 1 1 . 1 1 12 12 VAL C C 12 177.733 177.733 178.046 -0.313 25818 52 1 1 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.582 0.559 25818 53 1 1 . 1 1 12 12 VAL H H 12 8.263 8.263 7.979 0.284 25818 54 1 1 . 1 1 13 13 GLY N N 13 106.524 106.524 108.262 -1.738 25818 55 1 1 . 1 1 13 13 GLY C C 13 174.414 174.414 175.798 -1.384 25818 56 1 1 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.054 0.782 25818 57 1 1 . 1 1 13 13 GLY H H 13 8.563 8.563 8.222 0.341 25818 58 1 1 . 1 1 14 14 PHE N N 14 120.589 120.589 123.148 -2.559 25818 59 1 1 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.416 -0.206 25818 60 1 1 . 1 1 14 14 PHE C C 14 177.591 177.591 177.253 0.338 25818 61 1 1 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.636 2.066 25818 62 1 1 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.309 -0.393 25818 63 1 1 . 1 1 14 14 PHE H H 14 8.678 8.678 8.598 0.080 25818 64 1 1 . 1 1 15 15 GLY N N 15 106.691 106.691 107.943 -1.252 25818 65 1 1 . 1 1 15 15 GLY C C 15 174.533 174.533 175.796 -1.263 25818 66 1 1 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.156 0.551 25818 67 1 1 . 1 1 15 15 GLY H H 15 8.582 8.582 8.490 0.092 25818 68 1 1 . 1 1 16 16 ILE N N 16 120.894 120.894 122.625 -1.731 25818 69 1 1 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.776 -0.136 25818 70 1 1 . 1 1 16 16 ILE C C 16 178.658 178.658 177.477 1.181 25818 71 1 1 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.571 0.859 25818 72 1 1 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.121 -0.933 25818 73 1 1 . 1 1 16 16 ILE H H 16 8.599 8.599 7.623 0.976 25818 74 1 1 . 1 1 17 17 LEU N N 17 123.149 123.149 121.556 1.593 25818 75 1 1 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.101 -0.141 25818 76 1 1 . 1 1 17 17 LEU C C 17 178.207 178.207 179.079 -0.872 25818 77 1 1 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.405 0.456 25818 78 1 1 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.737 -0.124 25818 79 1 1 . 1 1 17 17 LEU H H 17 8.206 8.206 7.635 0.571 25818 80 1 1 . 1 1 18 18 ILE N N 18 117.975 117.975 119.489 -1.514 25818 81 1 1 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.423 0.139 25818 82 1 1 . 1 1 18 18 ILE C C 18 177.738 177.738 177.837 -0.099 25818 83 1 1 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.314 -0.745 25818 84 1 1 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.591 -1.079 25818 85 1 1 . 1 1 18 18 ILE H H 18 8.455 8.455 7.434 1.021 25818 86 1 1 . 1 1 19 19 PHE N N 19 119.303 119.303 120.196 -0.893 25818 87 1 1 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.025 0.044 25818 88 1 1 . 1 1 19 19 PHE C C 19 177.069 177.069 177.001 0.068 25818 89 1 1 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.760 0.191 25818 90 1 1 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.095 0.023 25818 91 1 1 . 1 1 19 19 PHE H H 19 8.609 8.609 7.828 0.781 25818 92 1 1 . 1 1 20 20 SER N N 20 114.834 114.834 116.466 -1.632 25818 93 1 1 . 1 1 20 20 SER HA H 20 4.010 4.010 4.008 0.002 25818 94 1 1 . 1 1 20 20 SER C C 20 176.951 176.951 176.363 0.588 25818 95 1 1 . 1 1 20 20 SER CA C 20 63.441 63.441 61.634 1.807 25818 96 1 1 . 1 1 20 20 SER H H 20 8.571 8.571 8.132 0.439 25818 97 1 1 . 1 1 21 21 LEU N N 21 124.956 124.956 123.633 1.323 25818 98 1 1 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.984 0.068 25818 99 1 1 . 1 1 21 21 LEU C C 21 178.041 178.041 178.406 -0.365 25818 100 1 1 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.303 0.028 25818 101 1 1 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.019 -0.248 25818 102 1 1 . 1 1 21 21 LEU H H 21 8.193 8.193 8.306 -0.113 25818 103 1 1 . 1 1 22 22 ILE N N 22 119.365 119.365 118.480 0.885 25818 104 1 1 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.650 -0.048 25818 105 1 1 . 1 1 22 22 ILE C C 22 178.539 178.539 177.804 0.735 25818 106 1 1 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.354 0.609 25818 107 1 1 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.614 0.250 25818 108 1 1 . 1 1 22 22 ILE H H 22 8.131 8.131 7.681 0.450 25818 109 1 1 . 1 1 23 23 VAL N N 23 119.397 119.397 120.861 -1.464 25818 110 1 1 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.565 -0.223 25818 111 1 1 . 1 1 23 23 VAL C C 23 177.330 177.330 178.107 -0.777 25818 112 1 1 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.545 1.138 25818 113 1 1 . 1 1 23 23 VAL CB C 23 31.371 31.371 30.972 0.399 25818 114 1 1 . 1 1 23 23 VAL H H 23 8.440 8.440 7.460 0.980 25818 115 1 1 . 1 1 24 24 THR N N 24 114.854 114.854 117.104 -2.250 25818 116 1 1 . 1 1 24 24 THR HA H 24 4.172 4.172 3.965 0.207 25818 117 1 1 . 1 1 24 24 THR C C 24 176.382 176.382 176.240 0.142 25818 118 1 1 . 1 1 24 24 THR CA C 24 68.010 68.010 66.841 1.169 25818 119 1 1 . 1 1 24 24 THR H H 24 7.969 7.969 8.672 -0.703 25818 120 1 1 . 1 1 25 25 TYR N N 25 121.421 121.421 123.118 -1.697 25818 121 1 1 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.145 -0.135 25818 122 1 1 . 1 1 25 25 TYR C C 25 177.425 177.425 177.083 0.342 25818 123 1 1 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.072 0.364 25818 124 1 1 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.218 0.548 25818 125 1 1 . 1 1 25 25 TYR H H 25 8.364 8.364 7.989 0.375 25818 126 1 1 . 1 1 26 26 CYS N N 26 116.170 116.170 117.951 -1.781 25818 127 1 1 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.837 0.102 25818 128 1 1 . 1 1 26 26 CYS C C 26 176.335 176.335 176.976 -0.641 25818 129 1 1 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.770 -0.527 25818 130 1 1 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.412 0.058 25818 131 1 1 . 1 1 26 26 CYS H H 26 8.323 8.323 7.898 0.425 25818 132 1 1 . 1 1 27 27 ILE N N 27 116.693 116.693 120.793 -4.100 25818 133 1 1 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.497 0.299 25818 134 1 1 . 1 1 27 27 ILE C C 27 176.737 176.737 177.627 -0.890 25818 135 1 1 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.421 -1.313 25818 136 1 1 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.633 0.242 25818 137 1 1 . 1 1 27 27 ILE H H 27 8.259 8.259 7.720 0.539 25818 138 1 1 . 1 1 28 28 ASN N N 28 117.531 117.531 118.375 -0.844 25818 139 1 1 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.288 0.141 25818 140 1 1 . 1 1 28 28 ASN C C 28 175.766 175.766 177.651 -1.885 25818 141 1 1 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.354 -0.502 25818 142 1 1 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.664 2.100 25818 143 1 1 . 1 1 28 28 ASN H H 28 7.853 7.853 8.199 -0.346 25818 144 1 1 . 1 1 29 29 ALA N N 29 120.505 120.505 122.676 -2.171 25818 145 1 1 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.009 0.109 25818 146 1 1 . 1 1 29 29 ALA C C 29 177.638 177.638 179.206 -1.568 25818 147 1 1 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.601 -1.298 25818 148 1 1 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.447 0.538 25818 149 1 1 . 1 1 29 29 ALA H H 29 8.050 8.050 7.531 0.519 25818 150 1 1 . 1 1 30 30 LYS N N 30 116.476 116.476 118.100 -1.624 25818 151 1 1 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.997 0.330 25818 152 1 1 . 1 1 30 30 LYS C C 30 176.192 176.192 177.872 -1.680 25818 153 1 1 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.063 -3.570 25818 154 1 1 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.356 -0.525 25818 155 1 1 . 1 1 30 30 LYS H H 30 7.771 7.771 7.692 0.079 25818 156 1 1 . 1 1 31 31 ALA N N 31 122.457 122.457 120.585 1.872 25818 157 1 1 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.500 -0.371 25818 158 1 1 . 1 1 31 31 ALA C C 31 177.401 177.401 178.690 -1.289 25818 159 1 1 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.246 -0.508 25818 160 1 1 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.385 -0.123 25818 161 1 1 . 1 1 31 31 ALA H H 31 7.924 7.924 7.670 0.254 25818 162 1 1 . 1 1 32 32 ASP N N 32 116.883 116.883 119.964 -3.081 25818 163 1 1 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.532 -0.107 25818 164 1 1 . 1 1 32 32 ASP C C 32 176.690 176.690 178.248 -1.558 25818 165 1 1 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.380 -2.077 25818 166 1 1 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.629 -0.409 25818 167 1 1 . 1 1 32 32 ASP H H 32 8.401 8.401 7.811 0.590 25818 168 1 1 . 1 1 33 33 VAL N N 33 116.175 116.175 118.161 -1.986 25818 169 1 1 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.821 0.261 25818 170 1 1 . 1 1 33 33 VAL C C 33 175.552 175.552 176.943 -1.391 25818 171 1 1 . 1 1 33 33 VAL CA C 33 62.761 62.761 64.803 -2.042 25818 172 1 1 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.679 0.727 25818 173 1 1 . 1 1 33 33 VAL H H 33 7.665 7.665 7.728 -0.063 25818 174 1 1 . 1 1 34 34 LEU N N 34 120.012 120.012 118.940 1.072 25818 175 1 1 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.382 -0.242 25818 176 1 1 . 1 1 34 34 LEU C C 34 176.382 176.382 177.955 -1.573 25818 177 1 1 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.588 -0.924 25818 178 1 1 . 1 1 34 34 LEU CB C 34 42.486 42.486 43.299 -0.813 25818 179 1 1 . 1 1 34 34 LEU H H 34 7.795 7.795 7.357 0.438 25818 180 1 1 . 1 1 35 35 PHE N N 35 116.572 116.572 117.110 -0.538 25818 181 1 1 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.366 0.229 25818 182 1 1 . 1 1 35 35 PHE C C 35 174.960 174.960 177.171 -2.211 25818 183 1 1 . 1 1 35 35 PHE CA C 35 57.734 57.734 58.932 -1.198 25818 184 1 1 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.016 1.273 25818 185 1 1 . 1 1 35 35 PHE H H 35 7.793 7.793 7.936 -0.143 25818 186 1 1 . 1 1 36 36 ILE N N 36 119.136 119.136 119.273 -0.137 25818 187 1 1 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.856 0.252 25818 188 1 1 . 1 1 36 36 ILE C C 36 174.975 174.975 176.760 -1.785 25818 189 1 1 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.509 -2.646 25818 190 1 1 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.167 0.843 25818 191 1 1 . 1 1 36 36 ILE H H 36 7.686 7.686 7.544 0.142 25818 192 1 1 . 1 1 37 37 ALA N N 37 127.555 127.555 121.781 5.774 25818 193 1 1 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.631 -0.118 25818 194 1 1 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.209 0.228 25818 195 1 1 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.802 -0.485 25818 196 1 1 . 1 1 37 37 ALA H H 37 8.169 8.169 7.994 0.175 25818 197 1 1 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.340 0.045 25818 198 1 1 . 1 1 38 38 PRO C C 38 176.643 176.643 175.954 0.689 25818 199 1 1 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.333 -0.335 25818 200 1 1 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.411 -0.562 25818 201 1 1 . 1 1 39 39 ARG N N 39 121.037 121.037 121.525 -0.488 25818 202 1 1 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.316 -0.039 25818 203 1 1 . 1 1 39 39 ARG C C 39 176.026 176.026 175.989 0.037 25818 204 1 1 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.951 -0.143 25818 205 1 1 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.873 0.305 25818 206 1 1 . 1 1 39 39 ARG H H 39 8.311 8.311 8.407 -0.096 25818 207 1 1 . 1 1 40 40 GLU N N 40 122.834 122.834 121.462 1.372 25818 208 1 1 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.806 -0.522 25818 209 1 1 . 1 1 40 40 GLU CA C 40 54.336 54.336 52.774 1.562 25818 210 1 1 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.368 0.238 25818 211 1 1 . 1 1 40 40 GLU H H 40 8.346 8.346 8.380 -0.034 25818 212 1 1 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.092 0.240 25818 213 1 1 . 1 1 41 41 PRO C C 41 177.496 177.496 177.721 -0.225 25818 214 1 1 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.494 -0.701 25818 215 1 1 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.754 0.040 25818 216 1 1 . 1 1 42 42 GLY N N 42 108.890 108.890 110.472 -1.582 25818 217 1 1 . 1 1 42 42 GLY C C 42 173.808 173.808 174.275 -0.467 25818 218 1 1 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.608 0.626 25818 219 1 1 . 1 1 42 42 GLY H H 42 8.412 8.412 8.471 -0.059 25818 220 1 1 . 1 1 43 43 ALA N N 43 123.534 123.534 124.485 -0.951 25818 221 1 1 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.108 0.189 25818 222 1 1 . 1 1 43 43 ALA C C 43 177.567 177.567 177.838 -0.271 25818 223 1 1 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.856 -0.370 25818 224 1 1 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.532 -0.107 25818 225 1 1 . 1 1 43 43 ALA H H 43 7.929 7.929 7.592 0.337 25818 226 1 1 . 1 1 44 44 VAL N N 44 118.351 118.351 121.714 -3.363 25818 227 1 1 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.048 0.070 25818 228 1 1 . 1 1 44 44 VAL C C 44 175.647 175.647 176.243 -0.596 25818 229 1 1 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.225 -0.165 25818 230 1 1 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.306 0.595 25818 231 1 1 . 1 1 44 44 VAL H H 44 7.985 7.985 8.255 -0.270 25818 232 1 1 . 1 1 45 45 SER N N 45 119.089 119.089 121.042 -1.953 25818 233 1 1 . 1 1 45 45 SER HA H 45 4.394 4.394 4.515 -0.121 25818 234 1 1 . 1 1 45 45 SER C C 45 172.840 172.840 174.741 -1.901 25818 235 1 1 . 1 1 45 45 SER CA C 45 57.993 57.993 58.462 -0.468 25818 236 1 1 . 1 1 45 45 SER CB C 45 64.261 64.261 63.825 0.436 25818 237 1 1 . 1 1 45 45 SER H H 45 8.081 8.081 8.376 -0.295 25818 238 1 2 . 1 1 2 2 SER N N 2 115.072 115.072 116.045 -0.973 25818 239 1 2 . 1 1 2 2 SER HA H 2 4.322 4.322 4.075 0.247 25818 240 1 2 . 1 1 2 2 SER C C 2 175.102 175.102 176.159 -1.057 25818 241 1 2 . 1 1 2 2 SER CA C 2 58.862 58.862 61.887 -3.025 25818 242 1 2 . 1 1 2 2 SER CB C 2 63.783 63.783 62.397 1.386 25818 243 1 2 . 1 1 2 2 SER H H 2 8.287 8.287 8.566 -0.279 25818 244 1 2 . 1 1 3 3 LYS N N 3 122.944 122.944 120.817 2.127 25818 245 1 2 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.103 0.120 25818 246 1 2 . 1 1 3 3 LYS C C 3 177.259 177.259 178.733 -1.474 25818 247 1 2 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.472 -1.988 25818 248 1 2 . 1 1 3 3 LYS CB C 3 32.230 32.230 31.919 0.311 25818 249 1 2 . 1 1 3 3 LYS H H 3 8.418 8.418 8.464 -0.046 25818 250 1 2 . 1 1 4 4 GLU N N 4 119.651 119.651 119.468 0.183 25818 251 1 2 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.085 0.001 25818 252 1 2 . 1 1 4 4 GLU C C 4 177.164 177.164 179.072 -1.908 25818 253 1 2 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.317 -0.443 25818 254 1 2 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.176 0.231 25818 255 1 2 . 1 1 4 4 GLU H H 4 8.583 8.583 8.253 0.330 25818 256 1 2 . 1 1 5 5 LEU N N 5 119.754 119.754 120.315 -0.561 25818 257 1 2 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.942 0.227 25818 258 1 2 . 1 1 5 5 LEU C C 5 178.517 178.517 179.453 -0.936 25818 259 1 2 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.363 -1.727 25818 260 1 2 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.843 0.087 25818 261 1 2 . 1 1 5 5 LEU H H 5 8.069 8.069 8.318 -0.249 25818 262 1 2 . 1 1 6 6 GLU N N 6 121.615 121.615 119.385 2.230 25818 263 1 2 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.977 0.111 25818 264 1 2 . 1 1 6 6 GLU C C 6 177.306 177.306 179.247 -1.941 25818 265 1 2 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.563 -0.555 25818 266 1 2 . 1 1 6 6 GLU H H 6 8.367 8.367 8.060 0.307 25818 267 1 2 . 1 1 7 7 LEU N N 7 119.398 119.398 121.442 -2.044 25818 268 1 2 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.426 -0.600 25818 269 1 2 . 1 1 7 7 LEU H H 7 8.215 8.215 8.341 -0.126 25818 270 1 2 . 1 1 8 8 ILE N N 8 120.843 120.843 118.428 2.415 25818 271 1 2 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.341 -0.039 25818 272 1 2 . 1 1 8 8 ILE H H 8 8.518 8.518 8.108 0.410 25818 273 1 2 . 1 1 9 9 THR N N 9 115.829 115.829 117.130 -1.301 25818 274 1 2 . 1 1 9 9 THR CA C 9 67.586 67.586 66.974 0.612 25818 275 1 2 . 1 1 9 9 THR H H 9 7.782 7.782 8.085 -0.303 25818 276 1 2 . 1 1 10 10 LEU N N 10 119.886 119.886 121.800 -1.914 25818 277 1 2 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.049 -0.095 25818 278 1 2 . 1 1 10 10 LEU C C 10 177.875 177.875 178.231 -0.356 25818 279 1 2 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.502 -0.017 25818 280 1 2 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.910 0.052 25818 281 1 2 . 1 1 10 10 LEU H H 10 8.086 8.086 8.443 -0.356 25818 282 1 2 . 1 1 11 11 THR N N 11 114.351 114.351 116.253 -1.902 25818 283 1 2 . 1 1 11 11 THR HA H 11 4.220 4.220 3.993 0.227 25818 284 1 2 . 1 1 11 11 THR CA C 11 67.939 67.939 67.775 0.164 25818 285 1 2 . 1 1 11 11 THR H H 11 8.033 8.033 7.634 0.399 25818 286 1 2 . 1 1 12 12 VAL N N 12 120.398 120.398 120.467 -0.069 25818 287 1 2 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.712 -0.144 25818 288 1 2 . 1 1 12 12 VAL C C 12 177.733 177.733 178.294 -0.561 25818 289 1 2 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.787 0.354 25818 290 1 2 . 1 1 12 12 VAL H H 12 8.263 8.263 7.965 0.298 25818 291 1 2 . 1 1 13 13 GLY N N 13 106.524 106.524 108.698 -2.174 25818 292 1 2 . 1 1 13 13 GLY C C 13 174.414 174.414 175.811 -1.397 25818 293 1 2 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.141 0.695 25818 294 1 2 . 1 1 13 13 GLY H H 13 8.563 8.563 8.057 0.506 25818 295 1 2 . 1 1 14 14 PHE N N 14 120.589 120.589 123.052 -2.463 25818 296 1 2 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.373 -0.163 25818 297 1 2 . 1 1 14 14 PHE C C 14 177.591 177.591 177.289 0.302 25818 298 1 2 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.114 1.588 25818 299 1 2 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.346 -0.430 25818 300 1 2 . 1 1 14 14 PHE H H 14 8.678 8.678 8.695 -0.017 25818 301 1 2 . 1 1 15 15 GLY N N 15 106.691 106.691 108.124 -1.433 25818 302 1 2 . 1 1 15 15 GLY C C 15 174.533 174.533 175.847 -1.314 25818 303 1 2 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.240 0.467 25818 304 1 2 . 1 1 15 15 GLY H H 15 8.582 8.582 8.666 -0.084 25818 305 1 2 . 1 1 16 16 ILE N N 16 120.894 120.894 122.886 -1.992 25818 306 1 2 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.823 -0.183 25818 307 1 2 . 1 1 16 16 ILE C C 16 178.658 178.658 177.246 1.412 25818 308 1 2 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.472 0.958 25818 309 1 2 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.195 -1.007 25818 310 1 2 . 1 1 16 16 ILE H H 16 8.599 8.599 7.784 0.815 25818 311 1 2 . 1 1 17 17 LEU N N 17 123.149 123.149 121.820 1.329 25818 312 1 2 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.973 -0.013 25818 313 1 2 . 1 1 17 17 LEU C C 17 178.207 178.207 178.332 -0.125 25818 314 1 2 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.564 0.297 25818 315 1 2 . 1 1 17 17 LEU CB C 17 41.613 41.613 42.013 -0.400 25818 316 1 2 . 1 1 17 17 LEU H H 17 8.206 8.206 7.679 0.527 25818 317 1 2 . 1 1 18 18 ILE N N 18 117.975 117.975 118.944 -0.969 25818 318 1 2 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.474 0.088 25818 319 1 2 . 1 1 18 18 ILE C C 18 177.738 177.738 178.118 -0.380 25818 320 1 2 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.811 -0.242 25818 321 1 2 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.767 -0.255 25818 322 1 2 . 1 1 18 18 ILE H H 18 8.455 8.455 7.453 1.002 25818 323 1 2 . 1 1 19 19 PHE N N 19 119.303 119.303 120.321 -1.018 25818 324 1 2 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.046 0.023 25818 325 1 2 . 1 1 19 19 PHE C C 19 177.069 177.069 177.657 -0.588 25818 326 1 2 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.359 -0.408 25818 327 1 2 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.883 0.235 25818 328 1 2 . 1 1 19 19 PHE H H 19 8.609 8.609 7.860 0.749 25818 329 1 2 . 1 1 20 20 SER N N 20 114.834 114.834 116.475 -1.641 25818 330 1 2 . 1 1 20 20 SER HA H 20 4.010 4.010 4.132 -0.122 25818 331 1 2 . 1 1 20 20 SER C C 20 176.951 176.951 176.395 0.556 25818 332 1 2 . 1 1 20 20 SER CA C 20 63.441 63.441 62.053 1.388 25818 333 1 2 . 1 1 20 20 SER H H 20 8.571 8.571 8.467 0.104 25818 334 1 2 . 1 1 21 21 LEU N N 21 124.956 124.956 123.068 1.888 25818 335 1 2 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.033 0.019 25818 336 1 2 . 1 1 21 21 LEU C C 21 178.041 178.041 178.216 -0.175 25818 337 1 2 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.121 0.210 25818 338 1 2 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.963 -0.192 25818 339 1 2 . 1 1 21 21 LEU H H 21 8.193 8.193 8.224 -0.031 25818 340 1 2 . 1 1 22 22 ILE N N 22 119.365 119.365 118.724 0.641 25818 341 1 2 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.739 -0.137 25818 342 1 2 . 1 1 22 22 ILE C C 22 178.539 178.539 178.184 0.355 25818 343 1 2 . 1 1 22 22 ILE CA C 22 65.963 65.963 64.872 1.091 25818 344 1 2 . 1 1 22 22 ILE CB C 22 37.864 37.864 36.686 1.178 25818 345 1 2 . 1 1 22 22 ILE H H 22 8.131 8.131 7.614 0.517 25818 346 1 2 . 1 1 23 23 VAL N N 23 119.397 119.397 120.970 -1.573 25818 347 1 2 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.677 -0.335 25818 348 1 2 . 1 1 23 23 VAL C C 23 177.330 177.330 178.567 -1.237 25818 349 1 2 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.299 0.384 25818 350 1 2 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.173 0.198 25818 351 1 2 . 1 1 23 23 VAL H H 23 8.440 8.440 7.787 0.653 25818 352 1 2 . 1 1 24 24 THR N N 24 114.854 114.854 115.984 -1.130 25818 353 1 2 . 1 1 24 24 THR HA H 24 4.172 4.172 4.031 0.141 25818 354 1 2 . 1 1 24 24 THR C C 24 176.382 176.382 176.437 -0.055 25818 355 1 2 . 1 1 24 24 THR CA C 24 68.010 68.010 67.304 0.706 25818 356 1 2 . 1 1 24 24 THR H H 24 7.969 7.969 8.142 -0.173 25818 357 1 2 . 1 1 25 25 TYR N N 25 121.421 121.421 123.534 -2.113 25818 358 1 2 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.185 -0.175 25818 359 1 2 . 1 1 25 25 TYR C C 25 177.425 177.425 177.293 0.132 25818 360 1 2 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.124 0.312 25818 361 1 2 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.235 0.531 25818 362 1 2 . 1 1 25 25 TYR H H 25 8.364 8.364 8.037 0.327 25818 363 1 2 . 1 1 26 26 CYS N N 26 116.170 116.170 117.934 -1.764 25818 364 1 2 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.839 0.100 25818 365 1 2 . 1 1 26 26 CYS C C 26 176.335 176.335 177.214 -0.879 25818 366 1 2 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.220 0.023 25818 367 1 2 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.439 0.031 25818 368 1 2 . 1 1 26 26 CYS H H 26 8.323 8.323 8.364 -0.041 25818 369 1 2 . 1 1 27 27 ILE N N 27 116.693 116.693 121.052 -4.359 25818 370 1 2 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.521 0.275 25818 371 1 2 . 1 1 27 27 ILE C C 27 176.737 176.737 177.512 -0.775 25818 372 1 2 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.530 -1.423 25818 373 1 2 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.846 0.029 25818 374 1 2 . 1 1 27 27 ILE H H 27 8.259 8.259 7.823 0.436 25818 375 1 2 . 1 1 28 28 ASN N N 28 117.531 117.531 118.370 -0.839 25818 376 1 2 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.252 0.177 25818 377 1 2 . 1 1 28 28 ASN C C 28 175.766 175.766 177.612 -1.846 25818 378 1 2 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.306 -0.454 25818 379 1 2 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.497 2.267 25818 380 1 2 . 1 1 28 28 ASN H H 28 7.853 7.853 8.110 -0.257 25818 381 1 2 . 1 1 29 29 ALA N N 29 120.505 120.505 123.068 -2.563 25818 382 1 2 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.050 0.068 25818 383 1 2 . 1 1 29 29 ALA C C 29 177.638 177.638 179.388 -1.750 25818 384 1 2 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.883 -1.581 25818 385 1 2 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.290 0.695 25818 386 1 2 . 1 1 29 29 ALA H H 29 8.050 8.050 7.627 0.423 25818 387 1 2 . 1 1 30 30 LYS N N 30 116.476 116.476 118.206 -1.730 25818 388 1 2 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.001 0.326 25818 389 1 2 . 1 1 30 30 LYS C C 30 176.192 176.192 178.385 -2.193 25818 390 1 2 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.658 -3.165 25818 391 1 2 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.218 -0.386 25818 392 1 2 . 1 1 30 30 LYS H H 30 7.771 7.771 7.699 0.072 25818 393 1 2 . 1 1 31 31 ALA N N 31 122.457 122.457 122.023 0.434 25818 394 1 2 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.341 -0.212 25818 395 1 2 . 1 1 31 31 ALA C C 31 177.401 177.401 179.632 -2.231 25818 396 1 2 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.264 -0.526 25818 397 1 2 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.161 0.101 25818 398 1 2 . 1 1 31 31 ALA H H 31 7.924 7.924 7.990 -0.066 25818 399 1 2 . 1 1 32 32 ASP N N 32 116.883 116.883 120.945 -4.062 25818 400 1 2 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.469 -0.044 25818 401 1 2 . 1 1 32 32 ASP C C 32 176.690 176.690 178.344 -1.654 25818 402 1 2 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.504 -2.201 25818 403 1 2 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.720 -0.500 25818 404 1 2 . 1 1 32 32 ASP H H 32 8.401 8.401 8.204 0.197 25818 405 1 2 . 1 1 33 33 VAL N N 33 116.175 116.175 119.085 -2.910 25818 406 1 2 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.707 0.375 25818 407 1 2 . 1 1 33 33 VAL C C 33 175.552 175.552 176.312 -0.760 25818 408 1 2 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.215 -2.454 25818 409 1 2 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.281 1.125 25818 410 1 2 . 1 1 33 33 VAL H H 33 7.665 7.665 7.909 -0.244 25818 411 1 2 . 1 1 34 34 LEU N N 34 120.012 120.012 118.875 1.137 25818 412 1 2 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.273 -0.133 25818 413 1 2 . 1 1 34 34 LEU C C 34 176.382 176.382 177.935 -1.553 25818 414 1 2 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.770 -1.106 25818 415 1 2 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.545 -0.060 25818 416 1 2 . 1 1 34 34 LEU H H 34 7.795 7.795 7.276 0.519 25818 417 1 2 . 1 1 35 35 PHE N N 35 116.572 116.572 116.272 0.300 25818 418 1 2 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.346 0.249 25818 419 1 2 . 1 1 35 35 PHE C C 35 174.960 174.960 176.058 -1.098 25818 420 1 2 . 1 1 35 35 PHE CA C 35 57.734 57.734 59.852 -2.118 25818 421 1 2 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.014 0.275 25818 422 1 2 . 1 1 35 35 PHE H H 35 7.793 7.793 7.781 0.012 25818 423 1 2 . 1 1 36 36 ILE N N 36 119.136 119.136 119.356 -0.220 25818 424 1 2 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.323 -0.215 25818 425 1 2 . 1 1 36 36 ILE C C 36 174.975 174.975 176.319 -1.344 25818 426 1 2 . 1 1 36 36 ILE CA C 36 60.863 60.863 60.876 -0.013 25818 427 1 2 . 1 1 36 36 ILE CB C 36 39.010 39.010 39.227 -0.217 25818 428 1 2 . 1 1 36 36 ILE H H 36 7.686 7.686 7.625 0.061 25818 429 1 2 . 1 1 37 37 ALA N N 37 127.555 127.555 123.893 3.662 25818 430 1 2 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.671 -0.158 25818 431 1 2 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.166 0.271 25818 432 1 2 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.288 0.028 25818 433 1 2 . 1 1 37 37 ALA H H 37 8.169 8.169 8.026 0.143 25818 434 1 2 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.468 -0.083 25818 435 1 2 . 1 1 38 38 PRO C C 38 176.643 176.643 176.210 0.433 25818 436 1 2 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.318 0.680 25818 437 1 2 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.389 -0.540 25818 438 1 2 . 1 1 39 39 ARG N N 39 121.037 121.037 119.597 1.440 25818 439 1 2 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.242 0.035 25818 440 1 2 . 1 1 39 39 ARG C C 39 176.026 176.026 176.064 -0.038 25818 441 1 2 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.663 -0.855 25818 442 1 2 . 1 1 39 39 ARG CB C 39 31.178 31.178 29.982 1.196 25818 443 1 2 . 1 1 39 39 ARG H H 39 8.311 8.311 8.434 -0.123 25818 444 1 2 . 1 1 40 40 GLU N N 40 122.834 122.834 123.797 -0.963 25818 445 1 2 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.676 -0.392 25818 446 1 2 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.671 0.665 25818 447 1 2 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.887 -0.280 25818 448 1 2 . 1 1 40 40 GLU H H 40 8.346 8.346 8.326 0.020 25818 449 1 2 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.468 -0.136 25818 450 1 2 . 1 1 41 41 PRO C C 41 177.496 177.496 177.514 -0.018 25818 451 1 2 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.057 0.736 25818 452 1 2 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.400 0.394 25818 453 1 2 . 1 1 42 42 GLY N N 42 108.890 108.890 108.879 0.011 25818 454 1 2 . 1 1 42 42 GLY C C 42 173.808 173.808 174.552 -0.744 25818 455 1 2 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.747 -0.514 25818 456 1 2 . 1 1 42 42 GLY H H 42 8.412 8.412 7.618 0.794 25818 457 1 2 . 1 1 43 43 ALA N N 43 123.534 123.534 123.456 0.078 25818 458 1 2 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.462 -0.165 25818 459 1 2 . 1 1 43 43 ALA C C 43 177.567 177.567 176.530 1.037 25818 460 1 2 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.158 0.328 25818 461 1 2 . 1 1 43 43 ALA CB C 43 19.425 19.425 20.861 -1.437 25818 462 1 2 . 1 1 43 43 ALA H H 43 7.929 7.929 8.372 -0.443 25818 463 1 2 . 1 1 44 44 VAL N N 44 118.351 118.351 120.320 -1.969 25818 464 1 2 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.334 -0.216 25818 465 1 2 . 1 1 44 44 VAL C C 44 175.647 175.647 174.813 0.834 25818 466 1 2 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.128 -0.068 25818 467 1 2 . 1 1 44 44 VAL CB C 44 32.901 32.901 33.231 -0.330 25818 468 1 2 . 1 1 44 44 VAL H H 44 7.985 7.985 7.855 0.130 25818 469 1 2 . 1 1 45 45 SER N N 45 119.089 119.089 121.472 -2.383 25818 470 1 2 . 1 1 45 45 SER HA H 45 4.394 4.394 4.709 -0.315 25818 471 1 2 . 1 1 45 45 SER C C 45 172.840 172.840 174.109 -1.269 25818 472 1 2 . 1 1 45 45 SER CA C 45 57.993 57.993 57.670 0.323 25818 473 1 2 . 1 1 45 45 SER CB C 45 64.261 64.261 64.128 0.133 25818 474 1 2 . 1 1 45 45 SER H H 45 8.081 8.081 8.280 -0.199 25818 475 1 3 . 1 1 2 2 SER N N 2 115.072 115.072 116.195 -1.123 25818 476 1 3 . 1 1 2 2 SER HA H 2 4.322 4.322 4.221 0.101 25818 477 1 3 . 1 1 2 2 SER C C 2 175.102 175.102 176.468 -1.366 25818 478 1 3 . 1 1 2 2 SER CA C 2 58.862 58.862 61.324 -2.462 25818 479 1 3 . 1 1 2 2 SER CB C 2 63.783 63.783 62.980 0.803 25818 480 1 3 . 1 1 2 2 SER H H 2 8.287 8.287 8.601 -0.314 25818 481 1 3 . 1 1 3 3 LYS N N 3 122.944 122.944 122.016 0.928 25818 482 1 3 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.041 0.182 25818 483 1 3 . 1 1 3 3 LYS C C 3 177.259 177.259 178.665 -1.406 25818 484 1 3 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.530 -2.046 25818 485 1 3 . 1 1 3 3 LYS CB C 3 32.230 32.230 31.876 0.354 25818 486 1 3 . 1 1 3 3 LYS H H 3 8.418 8.418 8.577 -0.159 25818 487 1 3 . 1 1 4 4 GLU N N 4 119.651 119.651 118.250 1.401 25818 488 1 3 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.052 0.034 25818 489 1 3 . 1 1 4 4 GLU C C 4 177.164 177.164 179.100 -1.936 25818 490 1 3 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.419 -0.545 25818 491 1 3 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.314 0.093 25818 492 1 3 . 1 1 4 4 GLU H H 4 8.583 8.583 8.457 0.126 25818 493 1 3 . 1 1 5 5 LEU N N 5 119.754 119.754 120.049 -0.295 25818 494 1 3 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.977 0.193 25818 495 1 3 . 1 1 5 5 LEU C C 5 178.517 178.517 178.918 -0.401 25818 496 1 3 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.136 -1.500 25818 497 1 3 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.803 0.127 25818 498 1 3 . 1 1 5 5 LEU H H 5 8.069 8.069 7.863 0.206 25818 499 1 3 . 1 1 6 6 GLU N N 6 121.615 121.615 120.435 1.180 25818 500 1 3 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.986 0.102 25818 501 1 3 . 1 1 6 6 GLU C C 6 177.306 177.306 178.917 -1.611 25818 502 1 3 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.602 -0.595 25818 503 1 3 . 1 1 6 6 GLU H H 6 8.367 8.367 8.311 0.056 25818 504 1 3 . 1 1 7 7 LEU N N 7 119.398 119.398 120.919 -1.521 25818 505 1 3 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.198 -0.372 25818 506 1 3 . 1 1 7 7 LEU H H 7 8.215 8.215 8.027 0.188 25818 507 1 3 . 1 1 8 8 ILE N N 8 120.843 120.843 119.027 1.816 25818 508 1 3 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.710 -0.408 25818 509 1 3 . 1 1 8 8 ILE H H 8 8.518 8.518 7.836 0.682 25818 510 1 3 . 1 1 9 9 THR N N 9 115.829 115.829 117.060 -1.231 25818 511 1 3 . 1 1 9 9 THR CA C 9 67.586 67.586 67.419 0.167 25818 512 1 3 . 1 1 9 9 THR H H 9 7.782 7.782 7.801 -0.019 25818 513 1 3 . 1 1 10 10 LEU N N 10 119.886 119.886 122.142 -2.256 25818 514 1 3 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.952 0.002 25818 515 1 3 . 1 1 10 10 LEU C C 10 177.875 177.875 178.877 -1.002 25818 516 1 3 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.338 0.146 25818 517 1 3 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.900 0.062 25818 518 1 3 . 1 1 10 10 LEU H H 10 8.086 8.086 8.342 -0.256 25818 519 1 3 . 1 1 11 11 THR N N 11 114.351 114.351 116.232 -1.881 25818 520 1 3 . 1 1 11 11 THR HA H 11 4.220 4.220 4.040 0.180 25818 521 1 3 . 1 1 11 11 THR CA C 11 67.939 67.939 67.162 0.777 25818 522 1 3 . 1 1 11 11 THR H H 11 8.033 8.033 8.016 0.017 25818 523 1 3 . 1 1 12 12 VAL N N 12 120.398 120.398 121.024 -0.626 25818 524 1 3 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.747 -0.179 25818 525 1 3 . 1 1 12 12 VAL C C 12 177.733 177.733 178.368 -0.635 25818 526 1 3 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.344 0.797 25818 527 1 3 . 1 1 12 12 VAL H H 12 8.263 8.263 8.339 -0.076 25818 528 1 3 . 1 1 13 13 GLY N N 13 106.524 106.524 108.258 -1.734 25818 529 1 3 . 1 1 13 13 GLY C C 13 174.414 174.414 175.884 -1.470 25818 530 1 3 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.099 0.737 25818 531 1 3 . 1 1 13 13 GLY H H 13 8.563 8.563 8.027 0.536 25818 532 1 3 . 1 1 14 14 PHE N N 14 120.589 120.589 123.213 -2.624 25818 533 1 3 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.383 -0.173 25818 534 1 3 . 1 1 14 14 PHE C C 14 177.591 177.591 177.280 0.311 25818 535 1 3 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.471 2.231 25818 536 1 3 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.214 -0.298 25818 537 1 3 . 1 1 14 14 PHE H H 14 8.678 8.678 8.645 0.033 25818 538 1 3 . 1 1 15 15 GLY N N 15 106.691 106.691 107.993 -1.302 25818 539 1 3 . 1 1 15 15 GLY C C 15 174.533 174.533 175.842 -1.309 25818 540 1 3 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.135 0.572 25818 541 1 3 . 1 1 15 15 GLY H H 15 8.582 8.582 8.566 0.016 25818 542 1 3 . 1 1 16 16 ILE N N 16 120.894 120.894 122.785 -1.891 25818 543 1 3 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.798 -0.158 25818 544 1 3 . 1 1 16 16 ILE C C 16 178.658 178.658 177.312 1.346 25818 545 1 3 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.462 0.968 25818 546 1 3 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.138 -0.950 25818 547 1 3 . 1 1 16 16 ILE H H 16 8.599 8.599 7.673 0.926 25818 548 1 3 . 1 1 17 17 LEU N N 17 123.149 123.149 121.550 1.599 25818 549 1 3 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.000 -0.040 25818 550 1 3 . 1 1 17 17 LEU C C 17 178.207 178.207 178.354 -0.147 25818 551 1 3 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.652 0.209 25818 552 1 3 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.993 -0.380 25818 553 1 3 . 1 1 17 17 LEU H H 17 8.206 8.206 7.562 0.644 25818 554 1 3 . 1 1 18 18 ILE N N 18 117.975 117.975 119.433 -1.458 25818 555 1 3 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.424 0.138 25818 556 1 3 . 1 1 18 18 ILE C C 18 177.738 177.738 177.856 -0.118 25818 557 1 3 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.325 -0.756 25818 558 1 3 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.480 -0.968 25818 559 1 3 . 1 1 18 18 ILE H H 18 8.455 8.455 7.379 1.076 25818 560 1 3 . 1 1 19 19 PHE N N 19 119.303 119.303 119.273 0.030 25818 561 1 3 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.008 0.061 25818 562 1 3 . 1 1 19 19 PHE C C 19 177.069 177.069 177.876 -0.807 25818 563 1 3 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.495 -0.544 25818 564 1 3 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.973 0.145 25818 565 1 3 . 1 1 19 19 PHE H H 19 8.609 8.609 7.737 0.872 25818 566 1 3 . 1 1 20 20 SER N N 20 114.834 114.834 115.740 -0.906 25818 567 1 3 . 1 1 20 20 SER HA H 20 4.010 4.010 4.213 -0.203 25818 568 1 3 . 1 1 20 20 SER C C 20 176.951 176.951 176.833 0.118 25818 569 1 3 . 1 1 20 20 SER CA C 20 63.441 63.441 62.018 1.423 25818 570 1 3 . 1 1 20 20 SER H H 20 8.571 8.571 8.176 0.395 25818 571 1 3 . 1 1 21 21 LEU N N 21 124.956 124.956 123.419 1.537 25818 572 1 3 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.059 -0.007 25818 573 1 3 . 1 1 21 21 LEU C C 21 178.041 178.041 178.617 -0.576 25818 574 1 3 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.164 0.167 25818 575 1 3 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.117 -0.346 25818 576 1 3 . 1 1 21 21 LEU H H 21 8.193 8.193 8.344 -0.151 25818 577 1 3 . 1 1 22 22 ILE N N 22 119.365 119.365 118.862 0.503 25818 578 1 3 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.643 -0.041 25818 579 1 3 . 1 1 22 22 ILE C C 22 178.539 178.539 178.026 0.513 25818 580 1 3 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.516 0.447 25818 581 1 3 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.726 0.138 25818 582 1 3 . 1 1 22 22 ILE H H 22 8.131 8.131 7.653 0.478 25818 583 1 3 . 1 1 23 23 VAL N N 23 119.397 119.397 120.815 -1.418 25818 584 1 3 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.698 -0.356 25818 585 1 3 . 1 1 23 23 VAL C C 23 177.330 177.330 178.165 -0.835 25818 586 1 3 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.028 0.655 25818 587 1 3 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.320 0.051 25818 588 1 3 . 1 1 23 23 VAL H H 23 8.440 8.440 7.653 0.787 25818 589 1 3 . 1 1 24 24 THR N N 24 114.854 114.854 117.084 -2.230 25818 590 1 3 . 1 1 24 24 THR HA H 24 4.172 4.172 3.965 0.207 25818 591 1 3 . 1 1 24 24 THR C C 24 176.382 176.382 176.283 0.099 25818 592 1 3 . 1 1 24 24 THR CA C 24 68.010 68.010 67.361 0.649 25818 593 1 3 . 1 1 24 24 THR H H 24 7.969 7.969 8.654 -0.685 25818 594 1 3 . 1 1 25 25 TYR N N 25 121.421 121.421 122.698 -1.277 25818 595 1 3 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.210 -0.200 25818 596 1 3 . 1 1 25 25 TYR C C 25 177.425 177.425 176.960 0.465 25818 597 1 3 . 1 1 25 25 TYR CA C 25 62.436 62.436 61.881 0.555 25818 598 1 3 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.618 0.148 25818 599 1 3 . 1 1 25 25 TYR H H 25 8.364 8.364 7.847 0.517 25818 600 1 3 . 1 1 26 26 CYS N N 26 116.170 116.170 118.242 -2.072 25818 601 1 3 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.064 -0.125 25818 602 1 3 . 1 1 26 26 CYS C C 26 176.335 176.335 177.297 -0.962 25818 603 1 3 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.948 -0.705 25818 604 1 3 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.312 0.158 25818 605 1 3 . 1 1 26 26 CYS H H 26 8.323 8.323 8.001 0.322 25818 606 1 3 . 1 1 27 27 ILE N N 27 116.693 116.693 121.030 -4.337 25818 607 1 3 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.545 0.251 25818 608 1 3 . 1 1 27 27 ILE C C 27 176.737 176.737 177.699 -0.962 25818 609 1 3 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.528 -1.421 25818 610 1 3 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.763 0.112 25818 611 1 3 . 1 1 27 27 ILE H H 27 8.259 8.259 7.961 0.298 25818 612 1 3 . 1 1 28 28 ASN N N 28 117.531 117.531 118.063 -0.532 25818 613 1 3 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.306 0.123 25818 614 1 3 . 1 1 28 28 ASN C C 28 175.766 175.766 177.523 -1.757 25818 615 1 3 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.651 -0.798 25818 616 1 3 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.201 1.563 25818 617 1 3 . 1 1 28 28 ASN H H 28 7.853 7.853 7.807 0.046 25818 618 1 3 . 1 1 29 29 ALA N N 29 120.505 120.505 122.806 -2.301 25818 619 1 3 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.905 0.213 25818 620 1 3 . 1 1 29 29 ALA C C 29 177.638 177.638 179.122 -1.484 25818 621 1 3 . 1 1 29 29 ALA CA C 29 53.303 53.303 55.050 -1.747 25818 622 1 3 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.344 0.641 25818 623 1 3 . 1 1 29 29 ALA H H 29 8.050 8.050 7.688 0.362 25818 624 1 3 . 1 1 30 30 LYS N N 30 116.476 116.476 118.041 -1.565 25818 625 1 3 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.067 0.260 25818 626 1 3 . 1 1 30 30 LYS C C 30 176.192 176.192 178.216 -2.024 25818 627 1 3 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.473 -2.980 25818 628 1 3 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.220 -0.389 25818 629 1 3 . 1 1 30 30 LYS H H 30 7.771 7.771 7.701 0.070 25818 630 1 3 . 1 1 31 31 ALA N N 31 122.457 122.457 121.741 0.716 25818 631 1 3 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.376 -0.247 25818 632 1 3 . 1 1 31 31 ALA C C 31 177.401 177.401 179.654 -2.253 25818 633 1 3 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.121 -0.383 25818 634 1 3 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.247 0.015 25818 635 1 3 . 1 1 31 31 ALA H H 31 7.924 7.924 7.769 0.155 25818 636 1 3 . 1 1 32 32 ASP N N 32 116.883 116.883 121.067 -4.184 25818 637 1 3 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.522 -0.097 25818 638 1 3 . 1 1 32 32 ASP C C 32 176.690 176.690 178.098 -1.408 25818 639 1 3 . 1 1 32 32 ASP CA C 32 55.303 55.303 58.165 -2.862 25818 640 1 3 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.875 -0.655 25818 641 1 3 . 1 1 32 32 ASP H H 32 8.401 8.401 8.149 0.252 25818 642 1 3 . 1 1 33 33 VAL N N 33 116.175 116.175 118.685 -2.510 25818 643 1 3 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.753 0.329 25818 644 1 3 . 1 1 33 33 VAL C C 33 175.552 175.552 176.217 -0.665 25818 645 1 3 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.134 -2.373 25818 646 1 3 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.097 1.309 25818 647 1 3 . 1 1 33 33 VAL H H 33 7.665 7.665 7.571 0.094 25818 648 1 3 . 1 1 34 34 LEU N N 34 120.012 120.012 118.684 1.328 25818 649 1 3 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.275 -0.135 25818 650 1 3 . 1 1 34 34 LEU C C 34 176.382 176.382 178.201 -1.819 25818 651 1 3 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.119 -0.455 25818 652 1 3 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.379 0.107 25818 653 1 3 . 1 1 34 34 LEU H H 34 7.795 7.795 7.333 0.462 25818 654 1 3 . 1 1 35 35 PHE N N 35 116.572 116.572 115.344 1.228 25818 655 1 3 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.343 0.252 25818 656 1 3 . 1 1 35 35 PHE C C 35 174.960 174.960 176.643 -1.683 25818 657 1 3 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.287 -2.553 25818 658 1 3 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.581 -0.292 25818 659 1 3 . 1 1 35 35 PHE H H 35 7.793 7.793 7.763 0.030 25818 660 1 3 . 1 1 36 36 ILE N N 36 119.136 119.136 119.690 -0.554 25818 661 1 3 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.358 -0.250 25818 662 1 3 . 1 1 36 36 ILE C C 36 174.975 174.975 176.369 -1.394 25818 663 1 3 . 1 1 36 36 ILE CA C 36 60.863 60.863 59.495 1.367 25818 664 1 3 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.852 1.158 25818 665 1 3 . 1 1 36 36 ILE H H 36 7.686 7.686 8.049 -0.363 25818 666 1 3 . 1 1 37 37 ALA N N 37 127.555 127.555 124.334 3.221 25818 667 1 3 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.313 0.200 25818 668 1 3 . 1 1 37 37 ALA CA C 37 50.437 50.437 51.643 -1.206 25818 669 1 3 . 1 1 37 37 ALA CB C 37 18.317 18.317 17.666 0.651 25818 670 1 3 . 1 1 37 37 ALA H H 37 8.169 8.169 8.176 -0.007 25818 671 1 3 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.405 -0.020 25818 672 1 3 . 1 1 38 38 PRO C C 38 176.643 176.643 175.745 0.898 25818 673 1 3 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.583 0.415 25818 674 1 3 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.483 -0.634 25818 675 1 3 . 1 1 39 39 ARG N N 39 121.037 121.037 118.163 2.874 25818 676 1 3 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.426 -0.149 25818 677 1 3 . 1 1 39 39 ARG C C 39 176.026 176.026 175.930 0.096 25818 678 1 3 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.593 0.215 25818 679 1 3 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.777 0.401 25818 680 1 3 . 1 1 39 39 ARG H H 39 8.311 8.311 8.281 0.030 25818 681 1 3 . 1 1 40 40 GLU N N 40 122.834 122.834 122.737 0.097 25818 682 1 3 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.669 -0.385 25818 683 1 3 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.323 1.013 25818 684 1 3 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.284 0.322 25818 685 1 3 . 1 1 40 40 GLU H H 40 8.346 8.346 8.328 0.018 25818 686 1 3 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.328 0.004 25818 687 1 3 . 1 1 41 41 PRO C C 41 177.496 177.496 177.860 -0.364 25818 688 1 3 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.529 0.264 25818 689 1 3 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.232 -0.438 25818 690 1 3 . 1 1 42 42 GLY N N 42 108.890 108.890 107.645 1.245 25818 691 1 3 . 1 1 42 42 GLY C C 42 173.808 173.808 174.134 -0.326 25818 692 1 3 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.097 0.136 25818 693 1 3 . 1 1 42 42 GLY H H 42 8.412 8.412 8.185 0.227 25818 694 1 3 . 1 1 43 43 ALA N N 43 123.534 123.534 119.009 4.525 25818 695 1 3 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.025 0.272 25818 696 1 3 . 1 1 43 43 ALA C C 43 177.567 177.567 176.977 0.590 25818 697 1 3 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.688 -0.202 25818 698 1 3 . 1 1 43 43 ALA CB C 43 19.425 19.425 18.042 1.383 25818 699 1 3 . 1 1 43 43 ALA H H 43 7.929 7.929 8.046 -0.117 25818 700 1 3 . 1 1 44 44 VAL N N 44 118.351 118.351 120.494 -2.143 25818 701 1 3 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.135 -0.017 25818 702 1 3 . 1 1 44 44 VAL C C 44 175.647 175.647 175.466 0.181 25818 703 1 3 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.877 -0.817 25818 704 1 3 . 1 1 44 44 VAL CB C 44 32.901 32.901 30.277 2.624 25818 705 1 3 . 1 1 44 44 VAL H H 44 7.985 7.985 7.567 0.418 25818 706 1 3 . 1 1 45 45 SER N N 45 119.089 119.089 123.381 -4.292 25818 707 1 3 . 1 1 45 45 SER HA H 45 4.394 4.394 4.818 -0.424 25818 708 1 3 . 1 1 45 45 SER C C 45 172.840 172.840 173.176 -0.336 25818 709 1 3 . 1 1 45 45 SER CA C 45 57.993 57.993 57.993 0.000 25818 710 1 3 . 1 1 45 45 SER CB C 45 64.261 64.261 64.004 0.257 25818 711 1 3 . 1 1 45 45 SER H H 45 8.081 8.081 8.418 -0.337 25818 712 1 4 . 1 1 2 2 SER N N 2 115.072 115.072 115.398 -0.326 25818 713 1 4 . 1 1 2 2 SER HA H 2 4.322 4.322 4.015 0.307 25818 714 1 4 . 1 1 2 2 SER C C 2 175.102 175.102 176.265 -1.163 25818 715 1 4 . 1 1 2 2 SER CA C 2 58.862 58.862 60.763 -1.901 25818 716 1 4 . 1 1 2 2 SER CB C 2 63.783 63.783 62.779 1.004 25818 717 1 4 . 1 1 2 2 SER H H 2 8.287 8.287 8.689 -0.402 25818 718 1 4 . 1 1 3 3 LYS N N 3 122.944 122.944 120.553 2.391 25818 719 1 4 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.052 0.171 25818 720 1 4 . 1 1 3 3 LYS C C 3 177.259 177.259 178.680 -1.421 25818 721 1 4 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.812 -2.329 25818 722 1 4 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.162 0.068 25818 723 1 4 . 1 1 3 3 LYS H H 3 8.418 8.418 8.414 0.004 25818 724 1 4 . 1 1 4 4 GLU N N 4 119.651 119.651 120.125 -0.474 25818 725 1 4 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.014 0.072 25818 726 1 4 . 1 1 4 4 GLU C C 4 177.164 177.164 179.225 -2.061 25818 727 1 4 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.125 -0.251 25818 728 1 4 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.210 0.196 25818 729 1 4 . 1 1 4 4 GLU H H 4 8.583 8.583 8.194 0.389 25818 730 1 4 . 1 1 5 5 LEU N N 5 119.754 119.754 119.885 -0.131 25818 731 1 4 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.970 0.199 25818 732 1 4 . 1 1 5 5 LEU C C 5 178.517 178.517 179.081 -0.564 25818 733 1 4 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.298 -1.662 25818 734 1 4 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.811 0.119 25818 735 1 4 . 1 1 5 5 LEU H H 5 8.069 8.069 8.417 -0.348 25818 736 1 4 . 1 1 6 6 GLU N N 6 121.615 121.615 119.918 1.697 25818 737 1 4 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.988 0.100 25818 738 1 4 . 1 1 6 6 GLU C C 6 177.306 177.306 179.460 -2.154 25818 739 1 4 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.633 -0.625 25818 740 1 4 . 1 1 6 6 GLU H H 6 8.367 8.367 7.929 0.438 25818 741 1 4 . 1 1 7 7 LEU N N 7 119.398 119.398 120.735 -1.337 25818 742 1 4 . 1 1 7 7 LEU CA C 7 57.826 57.826 57.859 -0.033 25818 743 1 4 . 1 1 7 7 LEU H H 7 8.215 8.215 8.476 -0.261 25818 744 1 4 . 1 1 8 8 ILE N N 8 120.843 120.843 119.281 1.562 25818 745 1 4 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.680 -0.377 25818 746 1 4 . 1 1 8 8 ILE H H 8 8.518 8.518 8.131 0.387 25818 747 1 4 . 1 1 9 9 THR N N 9 115.829 115.829 116.929 -1.100 25818 748 1 4 . 1 1 9 9 THR CA C 9 67.586 67.586 66.941 0.645 25818 749 1 4 . 1 1 9 9 THR H H 9 7.782 7.782 8.167 -0.385 25818 750 1 4 . 1 1 10 10 LEU N N 10 119.886 119.886 121.874 -1.988 25818 751 1 4 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.004 -0.050 25818 752 1 4 . 1 1 10 10 LEU C C 10 177.875 177.875 178.512 -0.637 25818 753 1 4 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.263 0.221 25818 754 1 4 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.857 0.105 25818 755 1 4 . 1 1 10 10 LEU H H 10 8.086 8.086 8.251 -0.165 25818 756 1 4 . 1 1 11 11 THR N N 11 114.351 114.351 116.719 -2.368 25818 757 1 4 . 1 1 11 11 THR HA H 11 4.220 4.220 3.978 0.242 25818 758 1 4 . 1 1 11 11 THR CA C 11 67.939 67.939 67.755 0.184 25818 759 1 4 . 1 1 11 11 THR H H 11 8.033 8.033 7.834 0.199 25818 760 1 4 . 1 1 12 12 VAL N N 12 120.398 120.398 121.006 -0.608 25818 761 1 4 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.661 -0.093 25818 762 1 4 . 1 1 12 12 VAL C C 12 177.733 177.733 178.051 -0.318 25818 763 1 4 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.691 0.450 25818 764 1 4 . 1 1 12 12 VAL H H 12 8.263 8.263 7.982 0.281 25818 765 1 4 . 1 1 13 13 GLY N N 13 106.524 106.524 108.480 -1.956 25818 766 1 4 . 1 1 13 13 GLY C C 13 174.414 174.414 175.659 -1.245 25818 767 1 4 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.084 0.752 25818 768 1 4 . 1 1 13 13 GLY H H 13 8.563 8.563 8.139 0.424 25818 769 1 4 . 1 1 14 14 PHE N N 14 120.589 120.589 122.954 -2.365 25818 770 1 4 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.411 -0.201 25818 771 1 4 . 1 1 14 14 PHE C C 14 177.591 177.591 177.242 0.349 25818 772 1 4 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.295 1.407 25818 773 1 4 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.477 -0.561 25818 774 1 4 . 1 1 14 14 PHE H H 14 8.678 8.678 8.661 0.017 25818 775 1 4 . 1 1 15 15 GLY N N 15 106.691 106.691 108.113 -1.422 25818 776 1 4 . 1 1 15 15 GLY C C 15 174.533 174.533 175.799 -1.266 25818 777 1 4 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.212 0.495 25818 778 1 4 . 1 1 15 15 GLY H H 15 8.582 8.582 8.566 0.016 25818 779 1 4 . 1 1 16 16 ILE N N 16 120.894 120.894 122.724 -1.830 25818 780 1 4 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.748 -0.108 25818 781 1 4 . 1 1 16 16 ILE C C 16 178.658 178.658 177.438 1.220 25818 782 1 4 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.553 0.877 25818 783 1 4 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.126 -0.938 25818 784 1 4 . 1 1 16 16 ILE H H 16 8.599 8.599 7.796 0.803 25818 785 1 4 . 1 1 17 17 LEU N N 17 123.149 123.149 121.706 1.443 25818 786 1 4 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.074 -0.114 25818 787 1 4 . 1 1 17 17 LEU C C 17 178.207 178.207 179.069 -0.862 25818 788 1 4 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.397 0.464 25818 789 1 4 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.775 -0.162 25818 790 1 4 . 1 1 17 17 LEU H H 17 8.206 8.206 7.699 0.507 25818 791 1 4 . 1 1 18 18 ILE N N 18 117.975 117.975 119.266 -1.291 25818 792 1 4 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.497 0.065 25818 793 1 4 . 1 1 18 18 ILE C C 18 177.738 177.738 178.159 -0.421 25818 794 1 4 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.760 -0.191 25818 795 1 4 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.894 -0.382 25818 796 1 4 . 1 1 18 18 ILE H H 18 8.455 8.455 7.466 0.989 25818 797 1 4 . 1 1 19 19 PHE N N 19 119.303 119.303 120.347 -1.044 25818 798 1 4 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.041 0.028 25818 799 1 4 . 1 1 19 19 PHE C C 19 177.069 177.069 177.535 -0.466 25818 800 1 4 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.219 -0.268 25818 801 1 4 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.927 0.191 25818 802 1 4 . 1 1 19 19 PHE H H 19 8.609 8.609 7.826 0.783 25818 803 1 4 . 1 1 20 20 SER N N 20 114.834 114.834 116.066 -1.232 25818 804 1 4 . 1 1 20 20 SER HA H 20 4.010 4.010 4.076 -0.066 25818 805 1 4 . 1 1 20 20 SER C C 20 176.951 176.951 176.468 0.483 25818 806 1 4 . 1 1 20 20 SER CA C 20 63.441 63.441 61.644 1.797 25818 807 1 4 . 1 1 20 20 SER H H 20 8.571 8.571 8.128 0.443 25818 808 1 4 . 1 1 21 21 LEU N N 21 124.956 124.956 123.844 1.112 25818 809 1 4 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.947 0.105 25818 810 1 4 . 1 1 21 21 LEU C C 21 178.041 178.041 178.489 -0.448 25818 811 1 4 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.339 -0.008 25818 812 1 4 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.991 -0.220 25818 813 1 4 . 1 1 21 21 LEU H H 21 8.193 8.193 8.314 -0.121 25818 814 1 4 . 1 1 22 22 ILE N N 22 119.365 119.365 118.508 0.857 25818 815 1 4 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.563 0.039 25818 816 1 4 . 1 1 22 22 ILE C C 22 178.539 178.539 177.920 0.619 25818 817 1 4 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.532 0.431 25818 818 1 4 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.665 0.199 25818 819 1 4 . 1 1 22 22 ILE H H 22 8.131 8.131 7.659 0.472 25818 820 1 4 . 1 1 23 23 VAL N N 23 119.397 119.397 120.676 -1.279 25818 821 1 4 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.467 -0.125 25818 822 1 4 . 1 1 23 23 VAL C C 23 177.330 177.330 177.975 -0.645 25818 823 1 4 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.292 0.391 25818 824 1 4 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.669 -0.298 25818 825 1 4 . 1 1 23 23 VAL H H 23 8.440 8.440 7.460 0.980 25818 826 1 4 . 1 1 24 24 THR N N 24 114.854 114.854 116.687 -1.833 25818 827 1 4 . 1 1 24 24 THR HA H 24 4.172 4.172 3.921 0.251 25818 828 1 4 . 1 1 24 24 THR C C 24 176.382 176.382 176.180 0.202 25818 829 1 4 . 1 1 24 24 THR CA C 24 68.010 68.010 67.408 0.602 25818 830 1 4 . 1 1 24 24 THR H H 24 7.969 7.969 8.566 -0.597 25818 831 1 4 . 1 1 25 25 TYR N N 25 121.421 121.421 122.939 -1.518 25818 832 1 4 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.162 -0.152 25818 833 1 4 . 1 1 25 25 TYR C C 25 177.425 177.425 177.011 0.414 25818 834 1 4 . 1 1 25 25 TYR CA C 25 62.436 62.436 61.766 0.670 25818 835 1 4 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.511 0.255 25818 836 1 4 . 1 1 25 25 TYR H H 25 8.364 8.364 8.041 0.323 25818 837 1 4 . 1 1 26 26 CYS N N 26 116.170 116.170 117.852 -1.682 25818 838 1 4 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.031 -0.092 25818 839 1 4 . 1 1 26 26 CYS C C 26 176.335 176.335 177.240 -0.905 25818 840 1 4 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.626 -0.383 25818 841 1 4 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.323 0.147 25818 842 1 4 . 1 1 26 26 CYS H H 26 8.323 8.323 8.542 -0.219 25818 843 1 4 . 1 1 27 27 ILE N N 27 116.693 116.693 121.212 -4.519 25818 844 1 4 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.604 0.192 25818 845 1 4 . 1 1 27 27 ILE C C 27 176.737 176.737 177.899 -1.162 25818 846 1 4 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.002 -0.895 25818 847 1 4 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.277 0.598 25818 848 1 4 . 1 1 27 27 ILE H H 27 8.259 8.259 7.857 0.402 25818 849 1 4 . 1 1 28 28 ASN N N 28 117.531 117.531 118.323 -0.792 25818 850 1 4 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.340 0.089 25818 851 1 4 . 1 1 28 28 ASN C C 28 175.766 175.766 177.696 -1.930 25818 852 1 4 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.281 -0.429 25818 853 1 4 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.824 1.940 25818 854 1 4 . 1 1 28 28 ASN H H 28 7.853 7.853 7.934 -0.081 25818 855 1 4 . 1 1 29 29 ALA N N 29 120.505 120.505 123.253 -2.748 25818 856 1 4 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.893 0.225 25818 857 1 4 . 1 1 29 29 ALA C C 29 177.638 177.638 179.258 -1.620 25818 858 1 4 . 1 1 29 29 ALA CA C 29 53.303 53.303 55.050 -1.746 25818 859 1 4 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.342 0.643 25818 860 1 4 . 1 1 29 29 ALA H H 29 8.050 8.050 7.686 0.364 25818 861 1 4 . 1 1 30 30 LYS N N 30 116.476 116.476 117.264 -0.788 25818 862 1 4 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.975 0.352 25818 863 1 4 . 1 1 30 30 LYS C C 30 176.192 176.192 177.302 -1.110 25818 864 1 4 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.064 -3.571 25818 865 1 4 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.289 -0.458 25818 866 1 4 . 1 1 30 30 LYS H H 30 7.771 7.771 7.780 -0.009 25818 867 1 4 . 1 1 31 31 ALA N N 31 122.457 122.457 120.133 2.324 25818 868 1 4 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.376 -0.247 25818 869 1 4 . 1 1 31 31 ALA C C 31 177.401 177.401 179.514 -2.113 25818 870 1 4 . 1 1 31 31 ALA CA C 31 53.738 53.738 53.801 -0.063 25818 871 1 4 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.203 0.059 25818 872 1 4 . 1 1 31 31 ALA H H 31 7.924 7.924 7.427 0.497 25818 873 1 4 . 1 1 32 32 ASP N N 32 116.883 116.883 120.763 -3.880 25818 874 1 4 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.573 -0.148 25818 875 1 4 . 1 1 32 32 ASP C C 32 176.690 176.690 178.135 -1.445 25818 876 1 4 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.488 -2.185 25818 877 1 4 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.944 -0.724 25818 878 1 4 . 1 1 32 32 ASP H H 32 8.401 8.401 8.004 0.397 25818 879 1 4 . 1 1 33 33 VAL N N 33 116.175 116.175 119.403 -3.228 25818 880 1 4 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.785 0.297 25818 881 1 4 . 1 1 33 33 VAL C C 33 175.552 175.552 176.676 -1.124 25818 882 1 4 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.116 -2.355 25818 883 1 4 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.326 1.080 25818 884 1 4 . 1 1 33 33 VAL H H 33 7.665 7.665 7.707 -0.042 25818 885 1 4 . 1 1 34 34 LEU N N 34 120.012 120.012 119.024 0.988 25818 886 1 4 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.059 0.081 25818 887 1 4 . 1 1 34 34 LEU C C 34 176.382 176.382 177.843 -1.461 25818 888 1 4 . 1 1 34 34 LEU CA C 34 55.664 55.664 57.076 -1.412 25818 889 1 4 . 1 1 34 34 LEU CB C 34 42.486 42.486 41.974 0.512 25818 890 1 4 . 1 1 34 34 LEU H H 34 7.795 7.795 7.134 0.661 25818 891 1 4 . 1 1 35 35 PHE N N 35 116.572 116.572 114.752 1.820 25818 892 1 4 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.332 0.263 25818 893 1 4 . 1 1 35 35 PHE C C 35 174.960 174.960 176.375 -1.415 25818 894 1 4 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.000 -2.266 25818 895 1 4 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.108 0.182 25818 896 1 4 . 1 1 35 35 PHE H H 35 7.793 7.793 7.402 0.391 25818 897 1 4 . 1 1 36 36 ILE N N 36 119.136 119.136 119.299 -0.163 25818 898 1 4 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.247 -0.139 25818 899 1 4 . 1 1 36 36 ILE C C 36 174.975 174.975 176.077 -1.102 25818 900 1 4 . 1 1 36 36 ILE CA C 36 60.863 60.863 60.664 0.199 25818 901 1 4 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.490 0.520 25818 902 1 4 . 1 1 36 36 ILE H H 36 7.686 7.686 7.486 0.200 25818 903 1 4 . 1 1 37 37 ALA N N 37 127.555 127.555 123.606 3.949 25818 904 1 4 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.284 0.229 25818 905 1 4 . 1 1 37 37 ALA CA C 37 50.437 50.437 51.410 -0.973 25818 906 1 4 . 1 1 37 37 ALA CB C 37 18.317 18.317 17.642 0.675 25818 907 1 4 . 1 1 37 37 ALA H H 37 8.169 8.169 8.082 0.087 25818 908 1 4 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.174 0.211 25818 909 1 4 . 1 1 38 38 PRO C C 38 176.643 176.643 176.105 0.538 25818 910 1 4 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.366 -0.368 25818 911 1 4 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.325 -0.476 25818 912 1 4 . 1 1 39 39 ARG N N 39 121.037 121.037 121.320 -0.283 25818 913 1 4 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.085 0.192 25818 914 1 4 . 1 1 39 39 ARG C C 39 176.026 176.026 176.522 -0.496 25818 915 1 4 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.449 -0.641 25818 916 1 4 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.091 1.087 25818 917 1 4 . 1 1 39 39 ARG H H 39 8.311 8.311 8.335 -0.024 25818 918 1 4 . 1 1 40 40 GLU N N 40 122.834 122.834 125.007 -2.173 25818 919 1 4 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.201 0.083 25818 920 1 4 . 1 1 40 40 GLU CA C 40 54.336 54.336 56.046 -1.710 25818 921 1 4 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.729 -0.123 25818 922 1 4 . 1 1 40 40 GLU H H 40 8.346 8.346 8.403 -0.057 25818 923 1 4 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.186 0.146 25818 924 1 4 . 1 1 41 41 PRO C C 41 177.496 177.496 177.208 0.288 25818 925 1 4 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.312 -0.519 25818 926 1 4 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.125 -0.331 25818 927 1 4 . 1 1 42 42 GLY N N 42 108.890 108.890 104.572 4.318 25818 928 1 4 . 1 1 42 42 GLY C C 42 173.808 173.808 175.165 -1.357 25818 929 1 4 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.593 -0.360 25818 930 1 4 . 1 1 42 42 GLY H H 42 8.412 8.412 8.696 -0.284 25818 931 1 4 . 1 1 43 43 ALA N N 43 123.534 123.534 124.534 -1.000 25818 932 1 4 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.652 -0.355 25818 933 1 4 . 1 1 43 43 ALA C C 43 177.567 177.567 177.625 -0.058 25818 934 1 4 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.096 0.390 25818 935 1 4 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.563 -0.138 25818 936 1 4 . 1 1 43 43 ALA H H 43 7.929 7.929 7.831 0.098 25818 937 1 4 . 1 1 44 44 VAL N N 44 118.351 118.351 121.023 -2.672 25818 938 1 4 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.236 -0.118 25818 939 1 4 . 1 1 44 44 VAL C C 44 175.647 175.647 175.693 -0.046 25818 940 1 4 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.058 0.002 25818 941 1 4 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.924 -0.023 25818 942 1 4 . 1 1 44 44 VAL H H 44 7.985 7.985 8.085 -0.100 25818 943 1 4 . 1 1 45 45 SER N N 45 119.089 119.089 121.365 -2.276 25818 944 1 4 . 1 1 45 45 SER HA H 45 4.394 4.394 4.537 -0.143 25818 945 1 4 . 1 1 45 45 SER C C 45 172.840 172.840 173.208 -0.368 25818 946 1 4 . 1 1 45 45 SER CA C 45 57.993 57.993 58.163 -0.170 25818 947 1 4 . 1 1 45 45 SER CB C 45 64.261 64.261 63.869 0.392 25818 948 1 4 . 1 1 45 45 SER H H 45 8.081 8.081 8.360 -0.279 25818 949 1 5 . 1 1 2 2 SER N N 2 115.072 115.072 116.566 -1.494 25818 950 1 5 . 1 1 2 2 SER HA H 2 4.322 4.322 4.243 0.079 25818 951 1 5 . 1 1 2 2 SER C C 2 175.102 175.102 176.425 -1.323 25818 952 1 5 . 1 1 2 2 SER CA C 2 58.862 58.862 60.645 -1.783 25818 953 1 5 . 1 1 2 2 SER CB C 2 63.783 63.783 63.143 0.640 25818 954 1 5 . 1 1 2 2 SER H H 2 8.287 8.287 8.645 -0.358 25818 955 1 5 . 1 1 3 3 LYS N N 3 122.944 122.944 120.470 2.474 25818 956 1 5 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.073 0.150 25818 957 1 5 . 1 1 3 3 LYS C C 3 177.259 177.259 178.804 -1.545 25818 958 1 5 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.763 -2.279 25818 959 1 5 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.230 0.000 25818 960 1 5 . 1 1 3 3 LYS H H 3 8.418 8.418 8.454 -0.036 25818 961 1 5 . 1 1 4 4 GLU N N 4 119.651 119.651 119.160 0.491 25818 962 1 5 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.117 -0.031 25818 963 1 5 . 1 1 4 4 GLU C C 4 177.164 177.164 178.911 -1.747 25818 964 1 5 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.137 -0.263 25818 965 1 5 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.235 0.172 25818 966 1 5 . 1 1 4 4 GLU H H 4 8.583 8.583 8.194 0.389 25818 967 1 5 . 1 1 5 5 LEU N N 5 119.754 119.754 120.496 -0.742 25818 968 1 5 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.873 0.296 25818 969 1 5 . 1 1 5 5 LEU C C 5 178.517 178.517 179.117 -0.600 25818 970 1 5 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.762 -2.126 25818 971 1 5 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.803 0.127 25818 972 1 5 . 1 1 5 5 LEU H H 5 8.069 8.069 8.071 -0.002 25818 973 1 5 . 1 1 6 6 GLU N N 6 121.615 121.615 119.268 2.347 25818 974 1 5 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.958 0.130 25818 975 1 5 . 1 1 6 6 GLU C C 6 177.306 177.306 179.419 -2.113 25818 976 1 5 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.815 -0.807 25818 977 1 5 . 1 1 6 6 GLU H H 6 8.367 8.367 8.250 0.117 25818 978 1 5 . 1 1 7 7 LEU N N 7 119.398 119.398 121.432 -2.034 25818 979 1 5 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.157 -0.331 25818 980 1 5 . 1 1 7 7 LEU H H 7 8.215 8.215 8.064 0.151 25818 981 1 5 . 1 1 8 8 ILE N N 8 120.843 120.843 119.059 1.784 25818 982 1 5 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.326 -0.024 25818 983 1 5 . 1 1 8 8 ILE H H 8 8.518 8.518 8.587 -0.069 25818 984 1 5 . 1 1 9 9 THR N N 9 115.829 115.829 116.947 -1.118 25818 985 1 5 . 1 1 9 9 THR CA C 9 67.586 67.586 67.163 0.423 25818 986 1 5 . 1 1 9 9 THR H H 9 7.782 7.782 8.404 -0.622 25818 987 1 5 . 1 1 10 10 LEU N N 10 119.886 119.886 121.860 -1.974 25818 988 1 5 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.066 -0.112 25818 989 1 5 . 1 1 10 10 LEU C C 10 177.875 177.875 179.224 -1.349 25818 990 1 5 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.516 -0.032 25818 991 1 5 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.041 0.921 25818 992 1 5 . 1 1 10 10 LEU H H 10 8.086 8.086 8.454 -0.368 25818 993 1 5 . 1 1 11 11 THR N N 11 114.351 114.351 116.442 -2.091 25818 994 1 5 . 1 1 11 11 THR HA H 11 4.220 4.220 4.078 0.142 25818 995 1 5 . 1 1 11 11 THR CA C 11 67.939 67.939 67.194 0.745 25818 996 1 5 . 1 1 11 11 THR H H 11 8.033 8.033 8.207 -0.174 25818 997 1 5 . 1 1 12 12 VAL N N 12 120.398 120.398 120.890 -0.492 25818 998 1 5 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.733 -0.165 25818 999 1 5 . 1 1 12 12 VAL C C 12 177.733 177.733 178.280 -0.547 25818 1000 1 5 . 1 1 12 12 VAL CA C 12 67.141 67.141 65.956 1.185 25818 1001 1 5 . 1 1 12 12 VAL H H 12 8.263 8.263 8.176 0.087 25818 1002 1 5 . 1 1 13 13 GLY N N 13 106.524 106.524 108.559 -2.035 25818 1003 1 5 . 1 1 13 13 GLY C C 13 174.414 174.414 175.708 -1.294 25818 1004 1 5 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.126 0.710 25818 1005 1 5 . 1 1 13 13 GLY H H 13 8.563 8.563 8.150 0.413 25818 1006 1 5 . 1 1 14 14 PHE N N 14 120.589 120.589 123.266 -2.677 25818 1007 1 5 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.332 -0.122 25818 1008 1 5 . 1 1 14 14 PHE C C 14 177.591 177.591 177.402 0.189 25818 1009 1 5 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.287 1.415 25818 1010 1 5 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.247 -0.331 25818 1011 1 5 . 1 1 14 14 PHE H H 14 8.678 8.678 8.580 0.098 25818 1012 1 5 . 1 1 15 15 GLY N N 15 106.691 106.691 107.744 -1.053 25818 1013 1 5 . 1 1 15 15 GLY C C 15 174.533 174.533 175.811 -1.278 25818 1014 1 5 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.085 0.622 25818 1015 1 5 . 1 1 15 15 GLY H H 15 8.582 8.582 8.458 0.124 25818 1016 1 5 . 1 1 16 16 ILE N N 16 120.894 120.894 122.911 -2.017 25818 1017 1 5 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.813 -0.173 25818 1018 1 5 . 1 1 16 16 ILE C C 16 178.658 178.658 177.440 1.218 25818 1019 1 5 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.659 0.771 25818 1020 1 5 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.104 -0.916 25818 1021 1 5 . 1 1 16 16 ILE H H 16 8.599 8.599 7.691 0.908 25818 1022 1 5 . 1 1 17 17 LEU N N 17 123.149 123.149 121.281 1.868 25818 1023 1 5 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.006 -0.046 25818 1024 1 5 . 1 1 17 17 LEU C C 17 178.207 178.207 179.175 -0.968 25818 1025 1 5 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.305 0.556 25818 1026 1 5 . 1 1 17 17 LEU CB C 17 41.613 41.613 40.882 0.731 25818 1027 1 5 . 1 1 17 17 LEU H H 17 8.206 8.206 8.250 -0.044 25818 1028 1 5 . 1 1 18 18 ILE N N 18 117.975 117.975 118.970 -0.995 25818 1029 1 5 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.557 0.005 25818 1030 1 5 . 1 1 18 18 ILE C C 18 177.738 177.738 178.512 -0.774 25818 1031 1 5 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.871 -0.302 25818 1032 1 5 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.817 -0.305 25818 1033 1 5 . 1 1 18 18 ILE H H 18 8.455 8.455 7.455 1.000 25818 1034 1 5 . 1 1 19 19 PHE N N 19 119.303 119.303 120.498 -1.195 25818 1035 1 5 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.105 -0.036 25818 1036 1 5 . 1 1 19 19 PHE C C 19 177.069 177.069 177.940 -0.871 25818 1037 1 5 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.812 0.139 25818 1038 1 5 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.876 0.242 25818 1039 1 5 . 1 1 19 19 PHE H H 19 8.609 8.609 7.828 0.781 25818 1040 1 5 . 1 1 20 20 SER N N 20 114.834 114.834 116.250 -1.416 25818 1041 1 5 . 1 1 20 20 SER HA H 20 4.010 4.010 4.150 -0.140 25818 1042 1 5 . 1 1 20 20 SER C C 20 176.951 176.951 176.574 0.377 25818 1043 1 5 . 1 1 20 20 SER CA C 20 63.441 63.441 61.851 1.590 25818 1044 1 5 . 1 1 20 20 SER H H 20 8.571 8.571 8.605 -0.034 25818 1045 1 5 . 1 1 21 21 LEU N N 21 124.956 124.956 123.127 1.829 25818 1046 1 5 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.068 -0.016 25818 1047 1 5 . 1 1 21 21 LEU C C 21 178.041 178.041 178.060 -0.019 25818 1048 1 5 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.127 0.204 25818 1049 1 5 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.119 -0.348 25818 1050 1 5 . 1 1 21 21 LEU H H 21 8.193 8.193 8.042 0.151 25818 1051 1 5 . 1 1 22 22 ILE N N 22 119.365 119.365 119.161 0.204 25818 1052 1 5 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.634 -0.032 25818 1053 1 5 . 1 1 22 22 ILE C C 22 178.539 178.539 177.859 0.680 25818 1054 1 5 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.323 0.640 25818 1055 1 5 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.609 0.254 25818 1056 1 5 . 1 1 22 22 ILE H H 22 8.131 8.131 7.455 0.676 25818 1057 1 5 . 1 1 23 23 VAL N N 23 119.397 119.397 120.559 -1.162 25818 1058 1 5 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.598 -0.256 25818 1059 1 5 . 1 1 23 23 VAL C C 23 177.330 177.330 178.098 -0.768 25818 1060 1 5 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.745 0.938 25818 1061 1 5 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.041 0.331 25818 1062 1 5 . 1 1 23 23 VAL H H 23 8.440 8.440 7.731 0.709 25818 1063 1 5 . 1 1 24 24 THR N N 24 114.854 114.854 117.145 -2.291 25818 1064 1 5 . 1 1 24 24 THR HA H 24 4.172 4.172 3.965 0.207 25818 1065 1 5 . 1 1 24 24 THR C C 24 176.382 176.382 176.497 -0.115 25818 1066 1 5 . 1 1 24 24 THR CA C 24 68.010 68.010 67.250 0.760 25818 1067 1 5 . 1 1 24 24 THR H H 24 7.969 7.969 7.920 0.049 25818 1068 1 5 . 1 1 25 25 TYR N N 25 121.421 121.421 123.553 -2.132 25818 1069 1 5 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.139 -0.129 25818 1070 1 5 . 1 1 25 25 TYR C C 25 177.425 177.425 177.454 -0.029 25818 1071 1 5 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.564 -0.128 25818 1072 1 5 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.319 0.447 25818 1073 1 5 . 1 1 25 25 TYR H H 25 8.364 8.364 7.883 0.481 25818 1074 1 5 . 1 1 26 26 CYS N N 26 116.170 116.170 118.351 -2.181 25818 1075 1 5 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.021 -0.082 25818 1076 1 5 . 1 1 26 26 CYS C C 26 176.335 176.335 176.920 -0.585 25818 1077 1 5 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.466 -0.223 25818 1078 1 5 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.018 0.452 25818 1079 1 5 . 1 1 26 26 CYS H H 26 8.323 8.323 8.072 0.251 25818 1080 1 5 . 1 1 27 27 ILE N N 27 116.693 116.693 120.889 -4.196 25818 1081 1 5 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.483 0.313 25818 1082 1 5 . 1 1 27 27 ILE C C 27 176.737 176.737 177.741 -1.004 25818 1083 1 5 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.792 -1.685 25818 1084 1 5 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.650 0.225 25818 1085 1 5 . 1 1 27 27 ILE H H 27 8.259 8.259 7.911 0.348 25818 1086 1 5 . 1 1 28 28 ASN N N 28 117.531 117.531 118.333 -0.802 25818 1087 1 5 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.296 0.133 25818 1088 1 5 . 1 1 28 28 ASN C C 28 175.766 175.766 177.469 -1.703 25818 1089 1 5 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.556 -0.704 25818 1090 1 5 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.896 1.868 25818 1091 1 5 . 1 1 28 28 ASN H H 28 7.853 7.853 8.155 -0.302 25818 1092 1 5 . 1 1 29 29 ALA N N 29 120.505 120.505 122.942 -2.437 25818 1093 1 5 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.964 0.154 25818 1094 1 5 . 1 1 29 29 ALA C C 29 177.638 177.638 179.403 -1.765 25818 1095 1 5 . 1 1 29 29 ALA CA C 29 53.303 53.303 55.083 -1.780 25818 1096 1 5 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.300 0.685 25818 1097 1 5 . 1 1 29 29 ALA H H 29 8.050 8.050 7.707 0.343 25818 1098 1 5 . 1 1 30 30 LYS N N 30 116.476 116.476 117.794 -1.318 25818 1099 1 5 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.940 0.387 25818 1100 1 5 . 1 1 30 30 LYS C C 30 176.192 176.192 177.656 -1.464 25818 1101 1 5 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.274 -3.781 25818 1102 1 5 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.380 -0.549 25818 1103 1 5 . 1 1 30 30 LYS H H 30 7.771 7.771 7.903 -0.132 25818 1104 1 5 . 1 1 31 31 ALA N N 31 122.457 122.457 119.748 2.709 25818 1105 1 5 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.367 -0.238 25818 1106 1 5 . 1 1 31 31 ALA C C 31 177.401 177.401 179.741 -2.340 25818 1107 1 5 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.015 -0.277 25818 1108 1 5 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.194 0.068 25818 1109 1 5 . 1 1 31 31 ALA H H 31 7.924 7.924 7.868 0.056 25818 1110 1 5 . 1 1 32 32 ASP N N 32 116.883 116.883 120.857 -3.974 25818 1111 1 5 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.539 -0.114 25818 1112 1 5 . 1 1 32 32 ASP C C 32 176.690 176.690 178.083 -1.393 25818 1113 1 5 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.241 -1.938 25818 1114 1 5 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.507 -0.287 25818 1115 1 5 . 1 1 32 32 ASP H H 32 8.401 8.401 8.088 0.314 25818 1116 1 5 . 1 1 33 33 VAL N N 33 116.175 116.175 119.211 -3.036 25818 1117 1 5 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.670 0.412 25818 1118 1 5 . 1 1 33 33 VAL C C 33 175.552 175.552 176.831 -1.279 25818 1119 1 5 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.001 -2.240 25818 1120 1 5 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.082 1.324 25818 1121 1 5 . 1 1 33 33 VAL H H 33 7.665 7.665 7.698 -0.033 25818 1122 1 5 . 1 1 34 34 LEU N N 34 120.012 120.012 120.519 -0.507 25818 1123 1 5 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.031 0.109 25818 1124 1 5 . 1 1 34 34 LEU C C 34 176.382 176.382 177.845 -1.463 25818 1125 1 5 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.920 -1.256 25818 1126 1 5 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.135 0.351 25818 1127 1 5 . 1 1 34 34 LEU H H 34 7.795 7.795 7.156 0.639 25818 1128 1 5 . 1 1 35 35 PHE N N 35 116.572 116.572 115.112 1.460 25818 1129 1 5 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.389 0.205 25818 1130 1 5 . 1 1 35 35 PHE C C 35 174.960 174.960 176.289 -1.329 25818 1131 1 5 . 1 1 35 35 PHE CA C 35 57.734 57.734 59.907 -2.173 25818 1132 1 5 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.436 -0.147 25818 1133 1 5 . 1 1 35 35 PHE H H 35 7.793 7.793 7.498 0.295 25818 1134 1 5 . 1 1 36 36 ILE N N 36 119.136 119.136 120.163 -1.027 25818 1135 1 5 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.319 -0.211 25818 1136 1 5 . 1 1 36 36 ILE C C 36 174.975 174.975 176.514 -1.539 25818 1137 1 5 . 1 1 36 36 ILE CA C 36 60.863 60.863 59.656 1.207 25818 1138 1 5 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.659 1.351 25818 1139 1 5 . 1 1 36 36 ILE H H 36 7.686 7.686 7.923 -0.237 25818 1140 1 5 . 1 1 37 37 ALA N N 37 127.555 127.555 123.663 3.892 25818 1141 1 5 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.273 0.240 25818 1142 1 5 . 1 1 37 37 ALA CA C 37 50.437 50.437 51.539 -1.103 25818 1143 1 5 . 1 1 37 37 ALA CB C 37 18.317 18.317 17.604 0.713 25818 1144 1 5 . 1 1 37 37 ALA H H 37 8.169 8.169 8.109 0.060 25818 1145 1 5 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.175 0.210 25818 1146 1 5 . 1 1 38 38 PRO C C 38 176.643 176.643 176.175 0.468 25818 1147 1 5 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.413 -0.415 25818 1148 1 5 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.357 -0.508 25818 1149 1 5 . 1 1 39 39 ARG N N 39 121.037 121.037 120.367 0.670 25818 1150 1 5 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.275 0.002 25818 1151 1 5 . 1 1 39 39 ARG C C 39 176.026 176.026 176.790 -0.764 25818 1152 1 5 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.551 -0.743 25818 1153 1 5 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.866 0.312 25818 1154 1 5 . 1 1 39 39 ARG H H 39 8.311 8.311 8.214 0.097 25818 1155 1 5 . 1 1 40 40 GLU N N 40 122.834 122.834 121.763 1.071 25818 1156 1 5 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.203 0.081 25818 1157 1 5 . 1 1 40 40 GLU CA C 40 54.336 54.336 55.796 -1.460 25818 1158 1 5 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.003 0.603 25818 1159 1 5 . 1 1 40 40 GLU H H 40 8.346 8.346 8.507 -0.161 25818 1160 1 5 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.166 0.166 25818 1161 1 5 . 1 1 41 41 PRO C C 41 177.496 177.496 177.113 0.383 25818 1162 1 5 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.184 -0.391 25818 1163 1 5 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.056 -0.262 25818 1164 1 5 . 1 1 42 42 GLY N N 42 108.890 108.890 102.607 6.283 25818 1165 1 5 . 1 1 42 42 GLY C C 42 173.808 173.808 174.039 -0.231 25818 1166 1 5 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.338 0.895 25818 1167 1 5 . 1 1 42 42 GLY H H 42 8.412 8.412 7.932 0.480 25818 1168 1 5 . 1 1 43 43 ALA N N 43 123.534 123.534 120.006 3.528 25818 1169 1 5 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.208 0.089 25818 1170 1 5 . 1 1 43 43 ALA C C 43 177.567 177.567 177.939 -0.372 25818 1171 1 5 . 1 1 43 43 ALA CA C 43 52.486 52.486 54.328 -1.842 25818 1172 1 5 . 1 1 43 43 ALA CB C 43 19.425 19.425 17.532 1.893 25818 1173 1 5 . 1 1 43 43 ALA H H 43 7.929 7.929 8.931 -1.002 25818 1174 1 5 . 1 1 44 44 VAL N N 44 118.351 118.351 115.413 2.938 25818 1175 1 5 . 1 1 44 44 VAL HA H 44 4.118 4.118 3.974 0.144 25818 1176 1 5 . 1 1 44 44 VAL C C 44 175.647 175.647 175.328 0.319 25818 1177 1 5 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.295 -0.235 25818 1178 1 5 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.091 0.810 25818 1179 1 5 . 1 1 44 44 VAL H H 44 7.985 7.985 7.978 0.007 25818 1180 1 5 . 1 1 45 45 SER N N 45 119.089 119.089 121.165 -2.076 25818 1181 1 5 . 1 1 45 45 SER HA H 45 4.394 4.394 4.559 -0.165 25818 1182 1 5 . 1 1 45 45 SER C C 45 172.840 172.840 174.133 -1.293 25818 1183 1 5 . 1 1 45 45 SER CA C 45 57.993 57.993 59.038 -1.045 25818 1184 1 5 . 1 1 45 45 SER CB C 45 64.261 64.261 63.113 1.148 25818 1185 1 5 . 1 1 45 45 SER H H 45 8.081 8.081 8.415 -0.334 25818 1186 1 6 . 1 1 2 2 SER N N 2 115.072 115.072 116.476 -1.404 25818 1187 1 6 . 1 1 2 2 SER HA H 2 4.322 4.322 4.183 0.139 25818 1188 1 6 . 1 1 2 2 SER C C 2 175.102 175.102 176.312 -1.210 25818 1189 1 6 . 1 1 2 2 SER CA C 2 58.862 58.862 60.884 -2.022 25818 1190 1 6 . 1 1 2 2 SER CB C 2 63.783 63.783 62.666 1.117 25818 1191 1 6 . 1 1 2 2 SER H H 2 8.287 8.287 8.477 -0.190 25818 1192 1 6 . 1 1 3 3 LYS N N 3 122.944 122.944 120.835 2.109 25818 1193 1 6 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.118 0.105 25818 1194 1 6 . 1 1 3 3 LYS C C 3 177.259 177.259 178.411 -1.152 25818 1195 1 6 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.711 -2.227 25818 1196 1 6 . 1 1 3 3 LYS CB C 3 32.230 32.230 31.942 0.288 25818 1197 1 6 . 1 1 3 3 LYS H H 3 8.418 8.418 8.414 0.004 25818 1198 1 6 . 1 1 4 4 GLU N N 4 119.651 119.651 118.246 1.405 25818 1199 1 6 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.022 0.064 25818 1200 1 6 . 1 1 4 4 GLU C C 4 177.164 177.164 179.131 -1.967 25818 1201 1 6 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.525 -0.651 25818 1202 1 6 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.171 0.236 25818 1203 1 6 . 1 1 4 4 GLU H H 4 8.583 8.583 8.317 0.266 25818 1204 1 6 . 1 1 5 5 LEU N N 5 119.754 119.754 119.976 -0.222 25818 1205 1 6 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.965 0.204 25818 1206 1 6 . 1 1 5 5 LEU C C 5 178.517 178.517 179.301 -0.784 25818 1207 1 6 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.203 -1.567 25818 1208 1 6 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.688 0.242 25818 1209 1 6 . 1 1 5 5 LEU H H 5 8.069 8.069 7.939 0.130 25818 1210 1 6 . 1 1 6 6 GLU N N 6 121.615 121.615 119.620 1.995 25818 1211 1 6 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.004 0.084 25818 1212 1 6 . 1 1 6 6 GLU C C 6 177.306 177.306 179.424 -2.118 25818 1213 1 6 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.603 -0.595 25818 1214 1 6 . 1 1 6 6 GLU H H 6 8.367 8.367 8.000 0.367 25818 1215 1 6 . 1 1 7 7 LEU N N 7 119.398 119.398 121.041 -1.643 25818 1216 1 6 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.127 -0.301 25818 1217 1 6 . 1 1 7 7 LEU H H 7 8.215 8.215 8.451 -0.236 25818 1218 1 6 . 1 1 8 8 ILE N N 8 120.843 120.843 119.126 1.717 25818 1219 1 6 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.604 -0.302 25818 1220 1 6 . 1 1 8 8 ILE H H 8 8.518 8.518 7.769 0.749 25818 1221 1 6 . 1 1 9 9 THR N N 9 115.829 115.829 117.136 -1.307 25818 1222 1 6 . 1 1 9 9 THR CA C 9 67.586 67.586 66.960 0.626 25818 1223 1 6 . 1 1 9 9 THR H H 9 7.782 7.782 7.952 -0.170 25818 1224 1 6 . 1 1 10 10 LEU N N 10 119.886 119.886 121.697 -1.811 25818 1225 1 6 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.982 -0.028 25818 1226 1 6 . 1 1 10 10 LEU C C 10 177.875 177.875 178.343 -0.468 25818 1227 1 6 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.880 -0.396 25818 1228 1 6 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.921 0.041 25818 1229 1 6 . 1 1 10 10 LEU H H 10 8.086 8.086 8.365 -0.279 25818 1230 1 6 . 1 1 11 11 THR N N 11 114.351 114.351 116.064 -1.713 25818 1231 1 6 . 1 1 11 11 THR HA H 11 4.220 4.220 4.069 0.151 25818 1232 1 6 . 1 1 11 11 THR CA C 11 67.939 67.939 67.078 0.861 25818 1233 1 6 . 1 1 11 11 THR H H 11 8.033 8.033 7.789 0.244 25818 1234 1 6 . 1 1 12 12 VAL N N 12 120.398 120.398 121.032 -0.634 25818 1235 1 6 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.646 -0.078 25818 1236 1 6 . 1 1 12 12 VAL C C 12 177.733 177.733 178.071 -0.338 25818 1237 1 6 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.447 0.694 25818 1238 1 6 . 1 1 12 12 VAL H H 12 8.263 8.263 8.476 -0.213 25818 1239 1 6 . 1 1 13 13 GLY N N 13 106.524 106.524 108.479 -1.955 25818 1240 1 6 . 1 1 13 13 GLY C C 13 174.414 174.414 175.717 -1.303 25818 1241 1 6 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.082 0.754 25818 1242 1 6 . 1 1 13 13 GLY H H 13 8.563 8.563 8.324 0.239 25818 1243 1 6 . 1 1 14 14 PHE N N 14 120.589 120.589 123.166 -2.577 25818 1244 1 6 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.377 -0.167 25818 1245 1 6 . 1 1 14 14 PHE C C 14 177.591 177.591 177.323 0.268 25818 1246 1 6 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.600 2.102 25818 1247 1 6 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.233 -0.317 25818 1248 1 6 . 1 1 14 14 PHE H H 14 8.678 8.678 8.398 0.280 25818 1249 1 6 . 1 1 15 15 GLY N N 15 106.691 106.691 107.746 -1.055 25818 1250 1 6 . 1 1 15 15 GLY C C 15 174.533 174.533 176.016 -1.483 25818 1251 1 6 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.077 0.630 25818 1252 1 6 . 1 1 15 15 GLY H H 15 8.582 8.582 8.718 -0.136 25818 1253 1 6 . 1 1 16 16 ILE N N 16 120.894 120.894 122.925 -2.031 25818 1254 1 6 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.862 -0.222 25818 1255 1 6 . 1 1 16 16 ILE C C 16 178.658 178.658 177.576 1.082 25818 1256 1 6 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.793 1.637 25818 1257 1 6 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.510 -0.322 25818 1258 1 6 . 1 1 16 16 ILE H H 16 8.599 8.599 7.653 0.946 25818 1259 1 6 . 1 1 17 17 LEU N N 17 123.149 123.149 121.239 1.910 25818 1260 1 6 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.927 0.033 25818 1261 1 6 . 1 1 17 17 LEU C C 17 178.207 178.207 178.906 -0.699 25818 1262 1 6 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.537 0.324 25818 1263 1 6 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.886 -0.273 25818 1264 1 6 . 1 1 17 17 LEU H H 17 8.206 8.206 7.690 0.516 25818 1265 1 6 . 1 1 18 18 ILE N N 18 117.975 117.975 119.499 -1.524 25818 1266 1 6 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.419 0.143 25818 1267 1 6 . 1 1 18 18 ILE C C 18 177.738 177.738 177.886 -0.148 25818 1268 1 6 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.320 -0.751 25818 1269 1 6 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.624 -1.112 25818 1270 1 6 . 1 1 18 18 ILE H H 18 8.455 8.455 7.386 1.069 25818 1271 1 6 . 1 1 19 19 PHE N N 19 119.303 119.303 119.898 -0.595 25818 1272 1 6 . 1 1 19 19 PHE HA H 19 4.069 4.069 3.973 0.096 25818 1273 1 6 . 1 1 19 19 PHE C C 19 177.069 177.069 177.612 -0.543 25818 1274 1 6 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.568 -0.617 25818 1275 1 6 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.009 0.109 25818 1276 1 6 . 1 1 19 19 PHE H H 19 8.609 8.609 7.777 0.832 25818 1277 1 6 . 1 1 20 20 SER N N 20 114.834 114.834 115.996 -1.162 25818 1278 1 6 . 1 1 20 20 SER HA H 20 4.010 4.010 4.216 -0.206 25818 1279 1 6 . 1 1 20 20 SER C C 20 176.951 176.951 176.310 0.641 25818 1280 1 6 . 1 1 20 20 SER CA C 20 63.441 63.441 62.336 1.105 25818 1281 1 6 . 1 1 20 20 SER H H 20 8.571 8.571 8.140 0.431 25818 1282 1 6 . 1 1 21 21 LEU N N 21 124.956 124.956 123.360 1.596 25818 1283 1 6 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.990 0.062 25818 1284 1 6 . 1 1 21 21 LEU C C 21 178.041 178.041 178.293 -0.252 25818 1285 1 6 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.360 -0.029 25818 1286 1 6 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.981 -0.210 25818 1287 1 6 . 1 1 21 21 LEU H H 21 8.193 8.193 8.384 -0.191 25818 1288 1 6 . 1 1 22 22 ILE N N 22 119.365 119.365 118.910 0.455 25818 1289 1 6 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.563 0.039 25818 1290 1 6 . 1 1 22 22 ILE C C 22 178.539 178.539 177.998 0.541 25818 1291 1 6 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.593 0.370 25818 1292 1 6 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.643 0.221 25818 1293 1 6 . 1 1 22 22 ILE H H 22 8.131 8.131 7.725 0.406 25818 1294 1 6 . 1 1 23 23 VAL N N 23 119.397 119.397 120.736 -1.339 25818 1295 1 6 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.522 -0.180 25818 1296 1 6 . 1 1 23 23 VAL C C 23 177.330 177.330 178.137 -0.807 25818 1297 1 6 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.326 0.357 25818 1298 1 6 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.688 -0.317 25818 1299 1 6 . 1 1 23 23 VAL H H 23 8.440 8.440 7.566 0.873 25818 1300 1 6 . 1 1 24 24 THR N N 24 114.854 114.854 116.485 -1.631 25818 1301 1 6 . 1 1 24 24 THR HA H 24 4.172 4.172 3.947 0.225 25818 1302 1 6 . 1 1 24 24 THR C C 24 176.382 176.382 176.467 -0.085 25818 1303 1 6 . 1 1 24 24 THR CA C 24 68.010 68.010 67.414 0.596 25818 1304 1 6 . 1 1 24 24 THR H H 24 7.969 7.969 8.252 -0.283 25818 1305 1 6 . 1 1 25 25 TYR N N 25 121.421 121.421 123.507 -2.086 25818 1306 1 6 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.155 -0.145 25818 1307 1 6 . 1 1 25 25 TYR C C 25 177.425 177.425 177.481 -0.056 25818 1308 1 6 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.067 0.369 25818 1309 1 6 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.408 0.358 25818 1310 1 6 . 1 1 25 25 TYR H H 25 8.364 8.364 8.232 0.132 25818 1311 1 6 . 1 1 26 26 CYS N N 26 116.170 116.170 117.844 -1.674 25818 1312 1 6 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.025 -0.086 25818 1313 1 6 . 1 1 26 26 CYS C C 26 176.335 176.335 177.275 -0.940 25818 1314 1 6 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.361 -0.118 25818 1315 1 6 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.738 0.732 25818 1316 1 6 . 1 1 26 26 CYS H H 26 8.323 8.323 8.411 -0.088 25818 1317 1 6 . 1 1 27 27 ILE N N 27 116.693 116.693 121.638 -4.945 25818 1318 1 6 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.558 0.238 25818 1319 1 6 . 1 1 27 27 ILE C C 27 176.737 176.737 177.578 -0.841 25818 1320 1 6 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.576 -1.469 25818 1321 1 6 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.769 0.106 25818 1322 1 6 . 1 1 27 27 ILE H H 27 8.259 8.259 7.780 0.479 25818 1323 1 6 . 1 1 28 28 ASN N N 28 117.531 117.531 118.183 -0.652 25818 1324 1 6 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.319 0.110 25818 1325 1 6 . 1 1 28 28 ASN C C 28 175.766 175.766 176.717 -0.951 25818 1326 1 6 . 1 1 28 28 ASN CA C 28 55.852 55.852 55.679 0.173 25818 1327 1 6 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.473 1.291 25818 1328 1 6 . 1 1 28 28 ASN H H 28 7.853 7.853 7.966 -0.113 25818 1329 1 6 . 1 1 29 29 ALA N N 29 120.505 120.505 123.094 -2.589 25818 1330 1 6 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.176 -0.058 25818 1331 1 6 . 1 1 29 29 ALA C C 29 177.638 177.638 179.284 -1.646 25818 1332 1 6 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.279 -0.976 25818 1333 1 6 . 1 1 29 29 ALA CB C 29 18.985 18.985 19.095 -0.110 25818 1334 1 6 . 1 1 29 29 ALA H H 29 8.050 8.050 7.579 0.471 25818 1335 1 6 . 1 1 30 30 LYS N N 30 116.476 116.476 119.214 -2.738 25818 1336 1 6 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.048 0.279 25818 1337 1 6 . 1 1 30 30 LYS C C 30 176.192 176.192 178.697 -2.505 25818 1338 1 6 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.390 -2.897 25818 1339 1 6 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.117 -0.287 25818 1340 1 6 . 1 1 30 30 LYS H H 30 7.771 7.771 8.136 -0.365 25818 1341 1 6 . 1 1 31 31 ALA N N 31 122.457 122.457 122.141 0.316 25818 1342 1 6 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.245 -0.116 25818 1343 1 6 . 1 1 31 31 ALA C C 31 177.401 177.401 178.594 -1.193 25818 1344 1 6 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.557 -0.819 25818 1345 1 6 . 1 1 31 31 ALA CB C 31 19.262 19.262 18.107 1.155 25818 1346 1 6 . 1 1 31 31 ALA H H 31 7.924 7.924 7.760 0.164 25818 1347 1 6 . 1 1 32 32 ASP N N 32 116.883 116.883 117.935 -1.052 25818 1348 1 6 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.690 -0.265 25818 1349 1 6 . 1 1 32 32 ASP C C 32 176.690 176.690 177.340 -0.650 25818 1350 1 6 . 1 1 32 32 ASP CA C 32 55.303 55.303 56.319 -1.016 25818 1351 1 6 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.878 -0.658 25818 1352 1 6 . 1 1 32 32 ASP H H 32 8.401 8.401 7.915 0.486 25818 1353 1 6 . 1 1 33 33 VAL N N 33 116.175 116.175 119.296 -3.121 25818 1354 1 6 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.969 0.113 25818 1355 1 6 . 1 1 33 33 VAL C C 33 175.552 175.552 176.353 -0.801 25818 1356 1 6 . 1 1 33 33 VAL CA C 33 62.761 62.761 64.142 -1.381 25818 1357 1 6 . 1 1 33 33 VAL CB C 33 32.406 32.406 32.414 -0.008 25818 1358 1 6 . 1 1 33 33 VAL H H 33 7.665 7.665 7.933 -0.268 25818 1359 1 6 . 1 1 34 34 LEU N N 34 120.012 120.012 118.806 1.206 25818 1360 1 6 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.336 -0.196 25818 1361 1 6 . 1 1 34 34 LEU C C 34 176.382 176.382 177.830 -1.448 25818 1362 1 6 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.134 -0.470 25818 1363 1 6 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.588 -0.102 25818 1364 1 6 . 1 1 34 34 LEU H H 34 7.795 7.795 7.517 0.278 25818 1365 1 6 . 1 1 35 35 PHE N N 35 116.572 116.572 116.572 0.000 25818 1366 1 6 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.341 0.254 25818 1367 1 6 . 1 1 35 35 PHE C C 35 174.960 174.960 177.119 -2.159 25818 1368 1 6 . 1 1 35 35 PHE CA C 35 57.734 57.734 58.960 -1.226 25818 1369 1 6 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.753 0.536 25818 1370 1 6 . 1 1 35 35 PHE H H 35 7.793 7.793 7.684 0.109 25818 1371 1 6 . 1 1 36 36 ILE N N 36 119.136 119.136 118.895 0.241 25818 1372 1 6 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.741 0.367 25818 1373 1 6 . 1 1 36 36 ILE C C 36 174.975 174.975 176.950 -1.975 25818 1374 1 6 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.486 -2.623 25818 1375 1 6 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.996 1.014 25818 1376 1 6 . 1 1 36 36 ILE H H 36 7.686 7.686 7.602 0.084 25818 1377 1 6 . 1 1 37 37 ALA N N 37 127.555 127.555 121.075 6.480 25818 1378 1 6 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.592 -0.079 25818 1379 1 6 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.191 0.246 25818 1380 1 6 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.458 -0.141 25818 1381 1 6 . 1 1 37 37 ALA H H 37 8.169 8.169 8.040 0.129 25818 1382 1 6 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.459 -0.074 25818 1383 1 6 . 1 1 38 38 PRO C C 38 176.643 176.643 176.307 0.336 25818 1384 1 6 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.419 0.579 25818 1385 1 6 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.560 -0.711 25818 1386 1 6 . 1 1 39 39 ARG N N 39 121.037 121.037 122.988 -1.951 25818 1387 1 6 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.105 0.172 25818 1388 1 6 . 1 1 39 39 ARG C C 39 176.026 176.026 176.208 -0.182 25818 1389 1 6 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.603 -0.795 25818 1390 1 6 . 1 1 39 39 ARG CB C 39 31.178 31.178 29.932 1.246 25818 1391 1 6 . 1 1 39 39 ARG H H 39 8.311 8.311 8.488 -0.177 25818 1392 1 6 . 1 1 40 40 GLU N N 40 122.834 122.834 125.596 -2.762 25818 1393 1 6 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.650 -0.366 25818 1394 1 6 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.515 0.821 25818 1395 1 6 . 1 1 40 40 GLU CB C 40 29.606 29.606 30.676 -1.070 25818 1396 1 6 . 1 1 40 40 GLU H H 40 8.346 8.346 8.305 0.041 25818 1397 1 6 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.243 0.089 25818 1398 1 6 . 1 1 41 41 PRO C C 41 177.496 177.496 177.151 0.345 25818 1399 1 6 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.376 -0.583 25818 1400 1 6 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.858 -0.064 25818 1401 1 6 . 1 1 42 42 GLY N N 42 108.890 108.890 111.843 -2.953 25818 1402 1 6 . 1 1 42 42 GLY C C 42 173.808 173.808 173.913 -0.105 25818 1403 1 6 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.123 0.110 25818 1404 1 6 . 1 1 42 42 GLY H H 42 8.412 8.412 8.492 -0.080 25818 1405 1 6 . 1 1 43 43 ALA N N 43 123.534 123.534 123.416 0.118 25818 1406 1 6 . 1 1 43 43 ALA HA H 43 4.297 4.297 3.915 0.382 25818 1407 1 6 . 1 1 43 43 ALA C C 43 177.567 177.567 176.260 1.307 25818 1408 1 6 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.672 -0.186 25818 1409 1 6 . 1 1 43 43 ALA CB C 43 19.425 19.425 18.462 0.963 25818 1410 1 6 . 1 1 43 43 ALA H H 43 7.929 7.929 7.873 0.056 25818 1411 1 6 . 1 1 44 44 VAL N N 44 118.351 118.351 119.804 -1.453 25818 1412 1 6 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.134 -0.016 25818 1413 1 6 . 1 1 44 44 VAL C C 44 175.647 175.647 175.708 -0.061 25818 1414 1 6 . 1 1 44 44 VAL CA C 44 62.060 62.060 61.226 0.834 25818 1415 1 6 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.837 0.064 25818 1416 1 6 . 1 1 44 44 VAL H H 44 7.985 7.985 8.204 -0.219 25818 1417 1 6 . 1 1 45 45 SER N N 45 119.089 119.089 122.825 -3.736 25818 1418 1 6 . 1 1 45 45 SER HA H 45 4.394 4.394 3.803 0.591 25818 1419 1 6 . 1 1 45 45 SER C C 45 172.840 172.840 174.048 -1.208 25818 1420 1 6 . 1 1 45 45 SER CA C 45 57.993 57.993 58.922 -0.930 25818 1421 1 6 . 1 1 45 45 SER CB C 45 64.261 64.261 63.218 1.043 25818 1422 1 6 . 1 1 45 45 SER H H 45 8.081 8.081 8.355 -0.274 25818 1423 1 7 . 1 1 2 2 SER N N 2 115.072 115.072 114.085 0.987 25818 1424 1 7 . 1 1 2 2 SER HA H 2 4.322 4.322 4.324 -0.002 25818 1425 1 7 . 1 1 2 2 SER C C 2 175.102 175.102 175.407 -0.305 25818 1426 1 7 . 1 1 2 2 SER CA C 2 58.862 58.862 59.261 -0.399 25818 1427 1 7 . 1 1 2 2 SER CB C 2 63.783 63.783 63.199 0.584 25818 1428 1 7 . 1 1 2 2 SER H H 2 8.287 8.287 8.357 -0.070 25818 1429 1 7 . 1 1 3 3 LYS N N 3 122.944 122.944 121.020 1.924 25818 1430 1 7 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.009 0.214 25818 1431 1 7 . 1 1 3 3 LYS C C 3 177.259 177.259 177.801 -0.542 25818 1432 1 7 . 1 1 3 3 LYS CA C 3 57.484 57.484 58.853 -1.369 25818 1433 1 7 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.439 -0.209 25818 1434 1 7 . 1 1 3 3 LYS H H 3 8.418 8.418 8.220 0.198 25818 1435 1 7 . 1 1 4 4 GLU N N 4 119.651 119.651 119.113 0.538 25818 1436 1 7 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.108 -0.022 25818 1437 1 7 . 1 1 4 4 GLU C C 4 177.164 177.164 178.871 -1.707 25818 1438 1 7 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.176 -0.302 25818 1439 1 7 . 1 1 4 4 GLU CB C 4 29.407 29.407 28.891 0.516 25818 1440 1 7 . 1 1 4 4 GLU H H 4 8.583 8.583 8.753 -0.170 25818 1441 1 7 . 1 1 5 5 LEU N N 5 119.754 119.754 120.208 -0.454 25818 1442 1 7 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.973 0.196 25818 1443 1 7 . 1 1 5 5 LEU C C 5 178.517 178.517 179.324 -0.807 25818 1444 1 7 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.085 -1.449 25818 1445 1 7 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.650 0.280 25818 1446 1 7 . 1 1 5 5 LEU H H 5 8.069 8.069 8.069 -0.000 25818 1447 1 7 . 1 1 6 6 GLU N N 6 121.615 121.615 119.445 2.170 25818 1448 1 7 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.922 0.166 25818 1449 1 7 . 1 1 6 6 GLU C C 6 177.306 177.306 179.104 -1.798 25818 1450 1 7 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.790 -0.782 25818 1451 1 7 . 1 1 6 6 GLU H H 6 8.367 8.367 8.100 0.267 25818 1452 1 7 . 1 1 7 7 LEU N N 7 119.398 119.398 120.675 -1.277 25818 1453 1 7 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.001 -0.175 25818 1454 1 7 . 1 1 7 7 LEU H H 7 8.215 8.215 8.296 -0.081 25818 1455 1 7 . 1 1 8 8 ILE N N 8 120.843 120.843 119.476 1.367 25818 1456 1 7 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.888 -0.586 25818 1457 1 7 . 1 1 8 8 ILE H H 8 8.518 8.518 8.359 0.159 25818 1458 1 7 . 1 1 9 9 THR N N 9 115.829 115.829 116.973 -1.144 25818 1459 1 7 . 1 1 9 9 THR CA C 9 67.586 67.586 66.972 0.614 25818 1460 1 7 . 1 1 9 9 THR H H 9 7.782 7.782 8.076 -0.294 25818 1461 1 7 . 1 1 10 10 LEU N N 10 119.886 119.886 122.121 -2.235 25818 1462 1 7 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.024 -0.070 25818 1463 1 7 . 1 1 10 10 LEU C C 10 177.875 177.875 178.545 -0.670 25818 1464 1 7 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.658 -0.174 25818 1465 1 7 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.890 0.072 25818 1466 1 7 . 1 1 10 10 LEU H H 10 8.086 8.086 8.081 0.005 25818 1467 1 7 . 1 1 11 11 THR N N 11 114.351 114.351 116.089 -1.738 25818 1468 1 7 . 1 1 11 11 THR HA H 11 4.220 4.220 4.127 0.093 25818 1469 1 7 . 1 1 11 11 THR CA C 11 67.939 67.939 67.054 0.885 25818 1470 1 7 . 1 1 11 11 THR H H 11 8.033 8.033 8.055 -0.022 25818 1471 1 7 . 1 1 12 12 VAL N N 12 120.398 120.398 120.991 -0.593 25818 1472 1 7 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.790 -0.222 25818 1473 1 7 . 1 1 12 12 VAL C C 12 177.733 177.733 178.219 -0.486 25818 1474 1 7 . 1 1 12 12 VAL CA C 12 67.141 67.141 65.813 1.328 25818 1475 1 7 . 1 1 12 12 VAL H H 12 8.263 8.263 8.152 0.111 25818 1476 1 7 . 1 1 13 13 GLY N N 13 106.524 106.524 108.643 -2.119 25818 1477 1 7 . 1 1 13 13 GLY C C 13 174.414 174.414 175.848 -1.434 25818 1478 1 7 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.197 0.639 25818 1479 1 7 . 1 1 13 13 GLY H H 13 8.563 8.563 8.051 0.512 25818 1480 1 7 . 1 1 14 14 PHE N N 14 120.589 120.589 123.097 -2.508 25818 1481 1 7 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.387 -0.177 25818 1482 1 7 . 1 1 14 14 PHE C C 14 177.591 177.591 177.369 0.222 25818 1483 1 7 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.754 1.948 25818 1484 1 7 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.255 -0.339 25818 1485 1 7 . 1 1 14 14 PHE H H 14 8.678 8.678 8.256 0.422 25818 1486 1 7 . 1 1 15 15 GLY N N 15 106.691 106.691 107.937 -1.246 25818 1487 1 7 . 1 1 15 15 GLY C C 15 174.533 174.533 175.893 -1.360 25818 1488 1 7 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.171 0.536 25818 1489 1 7 . 1 1 15 15 GLY H H 15 8.582 8.582 8.573 0.009 25818 1490 1 7 . 1 1 16 16 ILE N N 16 120.894 120.894 122.977 -2.083 25818 1491 1 7 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.809 -0.169 25818 1492 1 7 . 1 1 16 16 ILE C C 16 178.658 178.658 177.316 1.342 25818 1493 1 7 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.540 0.890 25818 1494 1 7 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.201 -1.013 25818 1495 1 7 . 1 1 16 16 ILE H H 16 8.599 8.599 7.893 0.706 25818 1496 1 7 . 1 1 17 17 LEU N N 17 123.149 123.149 121.426 1.723 25818 1497 1 7 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.989 -0.029 25818 1498 1 7 . 1 1 17 17 LEU C C 17 178.207 178.207 178.363 -0.156 25818 1499 1 7 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.573 0.288 25818 1500 1 7 . 1 1 17 17 LEU CB C 17 41.613 41.613 42.046 -0.433 25818 1501 1 7 . 1 1 17 17 LEU H H 17 8.206 8.206 7.710 0.496 25818 1502 1 7 . 1 1 18 18 ILE N N 18 117.975 117.975 119.638 -1.663 25818 1503 1 7 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.399 0.163 25818 1504 1 7 . 1 1 18 18 ILE C C 18 177.738 177.738 177.794 -0.056 25818 1505 1 7 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.375 -0.806 25818 1506 1 7 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.536 -1.024 25818 1507 1 7 . 1 1 18 18 ILE H H 18 8.455 8.455 7.441 1.014 25818 1508 1 7 . 1 1 19 19 PHE N N 19 119.303 119.303 118.974 0.329 25818 1509 1 7 . 1 1 19 19 PHE HA H 19 4.069 4.069 3.999 0.070 25818 1510 1 7 . 1 1 19 19 PHE C C 19 177.069 177.069 177.797 -0.728 25818 1511 1 7 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.480 -0.529 25818 1512 1 7 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.919 0.199 25818 1513 1 7 . 1 1 19 19 PHE H H 19 8.609 8.609 7.883 0.726 25818 1514 1 7 . 1 1 20 20 SER N N 20 114.834 114.834 115.695 -0.861 25818 1515 1 7 . 1 1 20 20 SER HA H 20 4.010 4.010 4.160 -0.150 25818 1516 1 7 . 1 1 20 20 SER C C 20 176.951 176.951 176.669 0.282 25818 1517 1 7 . 1 1 20 20 SER CA C 20 63.441 63.441 61.560 1.881 25818 1518 1 7 . 1 1 20 20 SER H H 20 8.571 8.571 8.138 0.433 25818 1519 1 7 . 1 1 21 21 LEU N N 21 124.956 124.956 123.316 1.640 25818 1520 1 7 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.008 0.044 25818 1521 1 7 . 1 1 21 21 LEU C C 21 178.041 178.041 178.593 -0.552 25818 1522 1 7 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.047 0.284 25818 1523 1 7 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.041 -0.270 25818 1524 1 7 . 1 1 21 21 LEU H H 21 8.193 8.193 8.243 -0.050 25818 1525 1 7 . 1 1 22 22 ILE N N 22 119.365 119.365 118.854 0.511 25818 1526 1 7 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.622 -0.020 25818 1527 1 7 . 1 1 22 22 ILE C C 22 178.539 178.539 177.994 0.545 25818 1528 1 7 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.621 0.342 25818 1529 1 7 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.865 -0.001 25818 1530 1 7 . 1 1 22 22 ILE H H 22 8.131 8.131 7.599 0.532 25818 1531 1 7 . 1 1 23 23 VAL N N 23 119.397 119.397 120.658 -1.261 25818 1532 1 7 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.636 -0.294 25818 1533 1 7 . 1 1 23 23 VAL C C 23 177.330 177.330 177.999 -0.669 25818 1534 1 7 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.247 0.436 25818 1535 1 7 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.787 -0.416 25818 1536 1 7 . 1 1 23 23 VAL H H 23 8.440 8.440 7.648 0.792 25818 1537 1 7 . 1 1 24 24 THR N N 24 114.854 114.854 116.264 -1.410 25818 1538 1 7 . 1 1 24 24 THR HA H 24 4.172 4.172 4.070 0.102 25818 1539 1 7 . 1 1 24 24 THR C C 24 176.382 176.382 175.979 0.403 25818 1540 1 7 . 1 1 24 24 THR CA C 24 68.010 68.010 66.900 1.110 25818 1541 1 7 . 1 1 24 24 THR H H 24 7.969 7.969 8.648 -0.679 25818 1542 1 7 . 1 1 25 25 TYR N N 25 121.421 121.421 123.606 -2.185 25818 1543 1 7 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.199 -0.189 25818 1544 1 7 . 1 1 25 25 TYR C C 25 177.425 177.425 177.043 0.382 25818 1545 1 7 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.127 0.309 25818 1546 1 7 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.323 0.443 25818 1547 1 7 . 1 1 25 25 TYR H H 25 8.364 8.364 7.914 0.450 25818 1548 1 7 . 1 1 26 26 CYS N N 26 116.170 116.170 118.113 -1.943 25818 1549 1 7 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.862 0.077 25818 1550 1 7 . 1 1 26 26 CYS C C 26 176.335 176.335 176.874 -0.539 25818 1551 1 7 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.623 -0.380 25818 1552 1 7 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.283 0.187 25818 1553 1 7 . 1 1 26 26 CYS H H 26 8.323 8.323 7.966 0.357 25818 1554 1 7 . 1 1 27 27 ILE N N 27 116.693 116.693 120.998 -4.305 25818 1555 1 7 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.514 0.282 25818 1556 1 7 . 1 1 27 27 ILE C C 27 176.737 176.737 177.631 -0.894 25818 1557 1 7 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.553 -1.446 25818 1558 1 7 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.767 0.108 25818 1559 1 7 . 1 1 27 27 ILE H H 27 8.259 8.259 7.816 0.443 25818 1560 1 7 . 1 1 28 28 ASN N N 28 117.531 117.531 118.190 -0.659 25818 1561 1 7 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.331 0.098 25818 1562 1 7 . 1 1 28 28 ASN C C 28 175.766 175.766 177.527 -1.761 25818 1563 1 7 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.249 -0.397 25818 1564 1 7 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.553 2.211 25818 1565 1 7 . 1 1 28 28 ASN H H 28 7.853 7.853 8.276 -0.423 25818 1566 1 7 . 1 1 29 29 ALA N N 29 120.505 120.505 123.426 -2.921 25818 1567 1 7 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.980 0.138 25818 1568 1 7 . 1 1 29 29 ALA C C 29 177.638 177.638 179.254 -1.616 25818 1569 1 7 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.831 -1.528 25818 1570 1 7 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.364 0.621 25818 1571 1 7 . 1 1 29 29 ALA H H 29 8.050 8.050 7.588 0.462 25818 1572 1 7 . 1 1 30 30 LYS N N 30 116.476 116.476 117.821 -1.345 25818 1573 1 7 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.932 0.395 25818 1574 1 7 . 1 1 30 30 LYS C C 30 176.192 176.192 177.325 -1.133 25818 1575 1 7 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.341 -3.848 25818 1576 1 7 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.273 -0.442 25818 1577 1 7 . 1 1 30 30 LYS H H 30 7.771 7.771 7.892 -0.121 25818 1578 1 7 . 1 1 31 31 ALA N N 31 122.457 122.457 120.160 2.297 25818 1579 1 7 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.473 -0.344 25818 1580 1 7 . 1 1 31 31 ALA C C 31 177.401 177.401 179.314 -1.913 25818 1581 1 7 . 1 1 31 31 ALA CA C 31 53.738 53.738 53.868 -0.130 25818 1582 1 7 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.608 -0.346 25818 1583 1 7 . 1 1 31 31 ALA H H 31 7.924 7.924 7.476 0.448 25818 1584 1 7 . 1 1 32 32 ASP N N 32 116.883 116.883 120.851 -3.968 25818 1585 1 7 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.517 -0.092 25818 1586 1 7 . 1 1 32 32 ASP C C 32 176.690 176.690 178.486 -1.796 25818 1587 1 7 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.244 -1.941 25818 1588 1 7 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.477 -0.258 25818 1589 1 7 . 1 1 32 32 ASP H H 32 8.401 8.401 8.156 0.245 25818 1590 1 7 . 1 1 33 33 VAL N N 33 116.175 116.175 120.314 -4.139 25818 1591 1 7 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.737 0.345 25818 1592 1 7 . 1 1 33 33 VAL C C 33 175.552 175.552 177.397 -1.845 25818 1593 1 7 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.121 -2.360 25818 1594 1 7 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.321 1.085 25818 1595 1 7 . 1 1 33 33 VAL H H 33 7.665 7.665 8.074 -0.409 25818 1596 1 7 . 1 1 34 34 LEU N N 34 120.012 120.012 118.351 1.661 25818 1597 1 7 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.073 0.067 25818 1598 1 7 . 1 1 34 34 LEU C C 34 176.382 176.382 178.056 -1.674 25818 1599 1 7 . 1 1 34 34 LEU CA C 34 55.664 55.664 57.258 -1.594 25818 1600 1 7 . 1 1 34 34 LEU CB C 34 42.486 42.486 41.929 0.556 25818 1601 1 7 . 1 1 34 34 LEU H H 34 7.795 7.795 7.537 0.258 25818 1602 1 7 . 1 1 35 35 PHE N N 35 116.572 116.572 115.234 1.338 25818 1603 1 7 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.326 0.269 25818 1604 1 7 . 1 1 35 35 PHE C C 35 174.960 174.960 176.681 -1.721 25818 1605 1 7 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.362 -2.628 25818 1606 1 7 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.348 -0.059 25818 1607 1 7 . 1 1 35 35 PHE H H 35 7.793 7.793 7.756 0.037 25818 1608 1 7 . 1 1 36 36 ILE N N 36 119.136 119.136 118.571 0.565 25818 1609 1 7 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.201 -0.093 25818 1610 1 7 . 1 1 36 36 ILE C C 36 174.975 174.975 176.197 -1.222 25818 1611 1 7 . 1 1 36 36 ILE CA C 36 60.863 60.863 61.936 -1.073 25818 1612 1 7 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.906 0.104 25818 1613 1 7 . 1 1 36 36 ILE H H 36 7.686 7.686 7.493 0.193 25818 1614 1 7 . 1 1 37 37 ALA N N 37 127.555 127.555 122.709 4.846 25818 1615 1 7 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.757 -0.244 25818 1616 1 7 . 1 1 37 37 ALA CA C 37 50.437 50.437 49.585 0.852 25818 1617 1 7 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.546 -0.229 25818 1618 1 7 . 1 1 37 37 ALA H H 37 8.169 8.169 7.665 0.504 25818 1619 1 7 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.223 0.162 25818 1620 1 7 . 1 1 38 38 PRO C C 38 176.643 176.643 176.045 0.598 25818 1621 1 7 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.342 -0.344 25818 1622 1 7 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.236 -0.387 25818 1623 1 7 . 1 1 39 39 ARG N N 39 121.037 121.037 119.466 1.571 25818 1624 1 7 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.453 -0.176 25818 1625 1 7 . 1 1 39 39 ARG C C 39 176.026 176.026 175.626 0.400 25818 1626 1 7 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.250 0.558 25818 1627 1 7 . 1 1 39 39 ARG CB C 39 31.178 31.178 31.050 0.128 25818 1628 1 7 . 1 1 39 39 ARG H H 39 8.311 8.311 8.358 -0.047 25818 1629 1 7 . 1 1 40 40 GLU N N 40 122.834 122.834 121.388 1.446 25818 1630 1 7 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.786 -0.502 25818 1631 1 7 . 1 1 40 40 GLU CA C 40 54.336 54.336 52.675 1.661 25818 1632 1 7 . 1 1 40 40 GLU CB C 40 29.606 29.606 28.215 1.391 25818 1633 1 7 . 1 1 40 40 GLU H H 40 8.346 8.346 8.460 -0.114 25818 1634 1 7 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.118 0.214 25818 1635 1 7 . 1 1 41 41 PRO C C 41 177.496 177.496 177.135 0.361 25818 1636 1 7 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.269 -0.476 25818 1637 1 7 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.771 0.023 25818 1638 1 7 . 1 1 42 42 GLY N N 42 108.890 108.890 111.503 -2.613 25818 1639 1 7 . 1 1 42 42 GLY C C 42 173.808 173.808 174.834 -1.026 25818 1640 1 7 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.730 0.503 25818 1641 1 7 . 1 1 42 42 GLY H H 42 8.412 8.412 8.386 0.026 25818 1642 1 7 . 1 1 43 43 ALA N N 43 123.534 123.534 126.942 -3.408 25818 1643 1 7 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.389 -0.092 25818 1644 1 7 . 1 1 43 43 ALA C C 43 177.567 177.567 177.271 0.296 25818 1645 1 7 . 1 1 43 43 ALA CA C 43 52.486 52.486 51.945 0.541 25818 1646 1 7 . 1 1 43 43 ALA CB C 43 19.425 19.425 17.722 1.703 25818 1647 1 7 . 1 1 43 43 ALA H H 43 7.929 7.929 7.727 0.202 25818 1648 1 7 . 1 1 44 44 VAL N N 44 118.351 118.351 119.668 -1.317 25818 1649 1 7 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.121 -0.003 25818 1650 1 7 . 1 1 44 44 VAL C C 44 175.647 175.647 175.941 -0.294 25818 1651 1 7 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.015 0.045 25818 1652 1 7 . 1 1 44 44 VAL CB C 44 32.901 32.901 33.123 -0.222 25818 1653 1 7 . 1 1 44 44 VAL H H 44 7.985 7.985 8.355 -0.370 25818 1654 1 7 . 1 1 45 45 SER N N 45 119.089 119.089 122.374 -3.285 25818 1655 1 7 . 1 1 45 45 SER HA H 45 4.394 4.394 4.308 0.086 25818 1656 1 7 . 1 1 45 45 SER C C 45 172.840 172.840 173.859 -1.019 25818 1657 1 7 . 1 1 45 45 SER CA C 45 57.993 57.993 59.923 -1.930 25818 1658 1 7 . 1 1 45 45 SER CB C 45 64.261 64.261 63.416 0.845 25818 1659 1 7 . 1 1 45 45 SER H H 45 8.081 8.081 8.783 -0.702 25818 1660 1 8 . 1 1 2 2 SER N N 2 115.072 115.072 115.993 -0.921 25818 1661 1 8 . 1 1 2 2 SER HA H 2 4.322 4.322 4.306 0.016 25818 1662 1 8 . 1 1 2 2 SER C C 2 175.102 175.102 176.361 -1.259 25818 1663 1 8 . 1 1 2 2 SER CA C 2 58.862 58.862 60.618 -1.756 25818 1664 1 8 . 1 1 2 2 SER CB C 2 63.783 63.783 62.420 1.363 25818 1665 1 8 . 1 1 2 2 SER H H 2 8.287 8.287 8.407 -0.120 25818 1666 1 8 . 1 1 3 3 LYS N N 3 122.944 122.944 119.531 3.413 25818 1667 1 8 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.015 0.208 25818 1668 1 8 . 1 1 3 3 LYS C C 3 177.259 177.259 178.838 -1.579 25818 1669 1 8 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.608 -2.124 25818 1670 1 8 . 1 1 3 3 LYS CB C 3 32.230 32.230 31.856 0.374 25818 1671 1 8 . 1 1 3 3 LYS H H 3 8.418 8.418 8.457 -0.039 25818 1672 1 8 . 1 1 4 4 GLU N N 4 119.651 119.651 120.238 -0.587 25818 1673 1 8 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.132 -0.046 25818 1674 1 8 . 1 1 4 4 GLU C C 4 177.164 177.164 178.631 -1.467 25818 1675 1 8 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.299 -0.425 25818 1676 1 8 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.204 0.203 25818 1677 1 8 . 1 1 4 4 GLU H H 4 8.583 8.583 8.055 0.528 25818 1678 1 8 . 1 1 5 5 LEU N N 5 119.754 119.754 119.833 -0.079 25818 1679 1 8 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.906 0.263 25818 1680 1 8 . 1 1 5 5 LEU C C 5 178.517 178.517 179.072 -0.555 25818 1681 1 8 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.937 -1.301 25818 1682 1 8 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.892 0.038 25818 1683 1 8 . 1 1 5 5 LEU H H 5 8.069 8.069 8.078 -0.009 25818 1684 1 8 . 1 1 6 6 GLU N N 6 121.615 121.615 120.025 1.590 25818 1685 1 8 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.020 0.068 25818 1686 1 8 . 1 1 6 6 GLU C C 6 177.306 177.306 178.839 -1.533 25818 1687 1 8 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.453 -0.445 25818 1688 1 8 . 1 1 6 6 GLU H H 6 8.367 8.367 8.132 0.235 25818 1689 1 8 . 1 1 7 7 LEU N N 7 119.398 119.398 120.506 -1.108 25818 1690 1 8 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.426 -0.600 25818 1691 1 8 . 1 1 7 7 LEU H H 7 8.215 8.215 7.747 0.468 25818 1692 1 8 . 1 1 8 8 ILE N N 8 120.843 120.843 118.840 2.003 25818 1693 1 8 . 1 1 8 8 ILE CA C 8 65.302 65.302 64.942 0.360 25818 1694 1 8 . 1 1 8 8 ILE H H 8 8.518 8.518 7.758 0.760 25818 1695 1 8 . 1 1 9 9 THR N N 9 115.829 115.829 117.713 -1.884 25818 1696 1 8 . 1 1 9 9 THR CA C 9 67.586 67.586 67.308 0.278 25818 1697 1 8 . 1 1 9 9 THR H H 9 7.782 7.782 7.936 -0.154 25818 1698 1 8 . 1 1 10 10 LEU N N 10 119.886 119.886 121.286 -1.400 25818 1699 1 8 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.071 -0.117 25818 1700 1 8 . 1 1 10 10 LEU C C 10 177.875 177.875 178.732 -0.857 25818 1701 1 8 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.395 0.089 25818 1702 1 8 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.508 0.454 25818 1703 1 8 . 1 1 10 10 LEU H H 10 8.086 8.086 7.855 0.231 25818 1704 1 8 . 1 1 11 11 THR N N 11 114.351 114.351 116.709 -2.358 25818 1705 1 8 . 1 1 11 11 THR HA H 11 4.220 4.220 4.054 0.166 25818 1706 1 8 . 1 1 11 11 THR CA C 11 67.939 67.939 67.169 0.770 25818 1707 1 8 . 1 1 11 11 THR H H 11 8.033 8.033 7.937 0.096 25818 1708 1 8 . 1 1 12 12 VAL N N 12 120.398 120.398 120.866 -0.468 25818 1709 1 8 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.622 -0.054 25818 1710 1 8 . 1 1 12 12 VAL C C 12 177.733 177.733 178.082 -0.349 25818 1711 1 8 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.876 0.265 25818 1712 1 8 . 1 1 12 12 VAL H H 12 8.263 8.263 8.584 -0.321 25818 1713 1 8 . 1 1 13 13 GLY N N 13 106.524 106.524 108.127 -1.603 25818 1714 1 8 . 1 1 13 13 GLY C C 13 174.414 174.414 175.736 -1.322 25818 1715 1 8 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.071 0.765 25818 1716 1 8 . 1 1 13 13 GLY H H 13 8.563 8.563 7.901 0.662 25818 1717 1 8 . 1 1 14 14 PHE N N 14 120.589 120.589 123.154 -2.565 25818 1718 1 8 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.385 -0.175 25818 1719 1 8 . 1 1 14 14 PHE C C 14 177.591 177.591 177.269 0.322 25818 1720 1 8 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.820 1.882 25818 1721 1 8 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.291 -0.374 25818 1722 1 8 . 1 1 14 14 PHE H H 14 8.678 8.678 8.550 0.128 25818 1723 1 8 . 1 1 15 15 GLY N N 15 106.691 106.691 108.076 -1.385 25818 1724 1 8 . 1 1 15 15 GLY C C 15 174.533 174.533 175.814 -1.281 25818 1725 1 8 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.150 0.557 25818 1726 1 8 . 1 1 15 15 GLY H H 15 8.582 8.582 8.681 -0.099 25818 1727 1 8 . 1 1 16 16 ILE N N 16 120.894 120.894 122.727 -1.833 25818 1728 1 8 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.802 -0.162 25818 1729 1 8 . 1 1 16 16 ILE C C 16 178.658 178.658 177.471 1.187 25818 1730 1 8 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.484 0.946 25818 1731 1 8 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.166 -0.978 25818 1732 1 8 . 1 1 16 16 ILE H H 16 8.599 8.599 7.816 0.782 25818 1733 1 8 . 1 1 17 17 LEU N N 17 123.149 123.149 121.281 1.868 25818 1734 1 8 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.987 -0.027 25818 1735 1 8 . 1 1 17 17 LEU C C 17 178.207 178.207 178.551 -0.344 25818 1736 1 8 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.688 0.173 25818 1737 1 8 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.847 -0.234 25818 1738 1 8 . 1 1 17 17 LEU H H 17 8.206 8.206 7.696 0.510 25818 1739 1 8 . 1 1 18 18 ILE N N 18 117.975 117.975 118.996 -1.021 25818 1740 1 8 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.492 0.070 25818 1741 1 8 . 1 1 18 18 ILE C C 18 177.738 177.738 178.129 -0.391 25818 1742 1 8 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.738 -0.169 25818 1743 1 8 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.855 -0.343 25818 1744 1 8 . 1 1 18 18 ILE H H 18 8.455 8.455 7.465 0.990 25818 1745 1 8 . 1 1 19 19 PHE N N 19 119.303 119.303 120.583 -1.280 25818 1746 1 8 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.040 0.029 25818 1747 1 8 . 1 1 19 19 PHE C C 19 177.069 177.069 177.526 -0.457 25818 1748 1 8 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.513 0.438 25818 1749 1 8 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.950 0.168 25818 1750 1 8 . 1 1 19 19 PHE H H 19 8.609 8.609 7.870 0.739 25818 1751 1 8 . 1 1 20 20 SER N N 20 114.834 114.834 116.493 -1.659 25818 1752 1 8 . 1 1 20 20 SER HA H 20 4.010 4.010 3.934 0.076 25818 1753 1 8 . 1 1 20 20 SER C C 20 176.951 176.951 176.328 0.623 25818 1754 1 8 . 1 1 20 20 SER CA C 20 63.441 63.441 61.617 1.824 25818 1755 1 8 . 1 1 20 20 SER H H 20 8.571 8.571 8.077 0.494 25818 1756 1 8 . 1 1 21 21 LEU N N 21 124.956 124.956 123.405 1.551 25818 1757 1 8 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.972 0.080 25818 1758 1 8 . 1 1 21 21 LEU C C 21 178.041 178.041 178.201 -0.160 25818 1759 1 8 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.241 0.090 25818 1760 1 8 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.058 -0.287 25818 1761 1 8 . 1 1 21 21 LEU H H 21 8.193 8.193 8.302 -0.109 25818 1762 1 8 . 1 1 22 22 ILE N N 22 119.365 119.365 118.669 0.696 25818 1763 1 8 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.580 0.022 25818 1764 1 8 . 1 1 22 22 ILE C C 22 178.539 178.539 177.786 0.753 25818 1765 1 8 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.473 0.490 25818 1766 1 8 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.727 0.137 25818 1767 1 8 . 1 1 22 22 ILE H H 22 8.131 8.131 7.492 0.639 25818 1768 1 8 . 1 1 23 23 VAL N N 23 119.397 119.397 121.139 -1.742 25818 1769 1 8 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.383 -0.041 25818 1770 1 8 . 1 1 23 23 VAL C C 23 177.330 177.330 177.981 -0.651 25818 1771 1 8 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.274 0.409 25818 1772 1 8 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.346 0.025 25818 1773 1 8 . 1 1 23 23 VAL H H 23 8.440 8.440 7.345 1.095 25818 1774 1 8 . 1 1 24 24 THR N N 24 114.854 114.854 116.375 -1.521 25818 1775 1 8 . 1 1 24 24 THR HA H 24 4.172 4.172 3.906 0.266 25818 1776 1 8 . 1 1 24 24 THR C C 24 176.382 176.382 176.341 0.041 25818 1777 1 8 . 1 1 24 24 THR CA C 24 68.010 68.010 66.842 1.168 25818 1778 1 8 . 1 1 24 24 THR H H 24 7.969 7.969 8.057 -0.088 25818 1779 1 8 . 1 1 25 25 TYR N N 25 121.421 121.421 124.091 -2.670 25818 1780 1 8 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.092 -0.082 25818 1781 1 8 . 1 1 25 25 TYR C C 25 177.425 177.425 177.248 0.177 25818 1782 1 8 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.349 0.087 25818 1783 1 8 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.093 0.673 25818 1784 1 8 . 1 1 25 25 TYR H H 25 8.364 8.364 7.916 0.448 25818 1785 1 8 . 1 1 26 26 CYS N N 26 116.170 116.170 117.817 -1.647 25818 1786 1 8 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.967 -0.028 25818 1787 1 8 . 1 1 26 26 CYS C C 26 176.335 176.335 177.285 -0.950 25818 1788 1 8 . 1 1 26 26 CYS CA C 26 64.243 64.243 63.271 0.972 25818 1789 1 8 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.279 1.191 25818 1790 1 8 . 1 1 26 26 CYS H H 26 8.323 8.323 8.227 0.096 25818 1791 1 8 . 1 1 27 27 ILE N N 27 116.693 116.693 120.991 -4.298 25818 1792 1 8 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.635 0.161 25818 1793 1 8 . 1 1 27 27 ILE C C 27 176.737 176.737 177.903 -1.166 25818 1794 1 8 . 1 1 27 27 ILE CA C 27 64.107 64.107 63.810 0.297 25818 1795 1 8 . 1 1 27 27 ILE CB C 27 37.875 37.875 36.825 1.050 25818 1796 1 8 . 1 1 27 27 ILE H H 27 8.259 8.259 7.683 0.576 25818 1797 1 8 . 1 1 28 28 ASN N N 28 117.531 117.531 118.868 -1.337 25818 1798 1 8 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.239 0.190 25818 1799 1 8 . 1 1 28 28 ASN C C 28 175.766 175.766 177.713 -1.947 25818 1800 1 8 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.359 -0.507 25818 1801 1 8 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.440 1.324 25818 1802 1 8 . 1 1 28 28 ASN H H 28 7.853 7.853 8.382 -0.529 25818 1803 1 8 . 1 1 29 29 ALA N N 29 120.505 120.505 122.486 -1.981 25818 1804 1 8 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.865 0.253 25818 1805 1 8 . 1 1 29 29 ALA C C 29 177.638 177.638 179.149 -1.511 25818 1806 1 8 . 1 1 29 29 ALA CA C 29 53.303 53.303 55.009 -1.706 25818 1807 1 8 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.200 0.785 25818 1808 1 8 . 1 1 29 29 ALA H H 29 8.050 8.050 7.993 0.057 25818 1809 1 8 . 1 1 30 30 LYS N N 30 116.476 116.476 117.822 -1.346 25818 1810 1 8 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.988 0.339 25818 1811 1 8 . 1 1 30 30 LYS C C 30 176.192 176.192 178.485 -2.293 25818 1812 1 8 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.064 -3.571 25818 1813 1 8 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.359 -0.528 25818 1814 1 8 . 1 1 30 30 LYS H H 30 7.771 7.771 7.631 0.140 25818 1815 1 8 . 1 1 31 31 ALA N N 31 122.457 122.457 120.601 1.856 25818 1816 1 8 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.404 -0.275 25818 1817 1 8 . 1 1 31 31 ALA C C 31 177.401 177.401 179.058 -1.657 25818 1818 1 8 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.363 -0.625 25818 1819 1 8 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.038 0.224 25818 1820 1 8 . 1 1 31 31 ALA H H 31 7.924 7.924 7.907 0.017 25818 1821 1 8 . 1 1 32 32 ASP N N 32 116.883 116.883 119.549 -2.666 25818 1822 1 8 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.611 -0.186 25818 1823 1 8 . 1 1 32 32 ASP C C 32 176.690 176.690 178.029 -1.339 25818 1824 1 8 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.029 -1.726 25818 1825 1 8 . 1 1 32 32 ASP CB C 32 40.220 40.220 41.288 -1.068 25818 1826 1 8 . 1 1 32 32 ASP H H 32 8.401 8.401 7.801 0.600 25818 1827 1 8 . 1 1 33 33 VAL N N 33 116.175 116.175 119.595 -3.420 25818 1828 1 8 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.753 0.329 25818 1829 1 8 . 1 1 33 33 VAL C C 33 175.552 175.552 176.845 -1.293 25818 1830 1 8 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.459 -2.698 25818 1831 1 8 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.776 0.630 25818 1832 1 8 . 1 1 33 33 VAL H H 33 7.665 7.665 7.771 -0.106 25818 1833 1 8 . 1 1 34 34 LEU N N 34 120.012 120.012 118.171 1.841 25818 1834 1 8 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.216 -0.076 25818 1835 1 8 . 1 1 34 34 LEU C C 34 176.382 176.382 177.836 -1.454 25818 1836 1 8 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.144 -0.480 25818 1837 1 8 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.341 0.145 25818 1838 1 8 . 1 1 34 34 LEU H H 34 7.795 7.795 7.492 0.303 25818 1839 1 8 . 1 1 35 35 PHE N N 35 116.572 116.572 116.250 0.322 25818 1840 1 8 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.469 0.126 25818 1841 1 8 . 1 1 35 35 PHE C C 35 174.960 174.960 176.622 -1.662 25818 1842 1 8 . 1 1 35 35 PHE CA C 35 57.734 57.734 58.931 -1.197 25818 1843 1 8 . 1 1 35 35 PHE CB C 35 39.289 39.289 37.567 1.722 25818 1844 1 8 . 1 1 35 35 PHE H H 35 7.793 7.793 7.497 0.296 25818 1845 1 8 . 1 1 36 36 ILE N N 36 119.136 119.136 118.640 0.496 25818 1846 1 8 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.846 0.262 25818 1847 1 8 . 1 1 36 36 ILE C C 36 174.975 174.975 177.039 -2.064 25818 1848 1 8 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.363 -2.500 25818 1849 1 8 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.064 0.946 25818 1850 1 8 . 1 1 36 36 ILE H H 36 7.686 7.686 7.059 0.627 25818 1851 1 8 . 1 1 37 37 ALA N N 37 127.555 127.555 121.266 6.289 25818 1852 1 8 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.404 0.109 25818 1853 1 8 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.394 0.043 25818 1854 1 8 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.093 0.224 25818 1855 1 8 . 1 1 37 37 ALA H H 37 8.169 8.169 8.016 0.153 25818 1856 1 8 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.286 0.099 25818 1857 1 8 . 1 1 38 38 PRO C C 38 176.643 176.643 175.961 0.682 25818 1858 1 8 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.366 -0.368 25818 1859 1 8 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.332 -0.483 25818 1860 1 8 . 1 1 39 39 ARG N N 39 121.037 121.037 120.579 0.458 25818 1861 1 8 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.563 -0.286 25818 1862 1 8 . 1 1 39 39 ARG C C 39 176.026 176.026 175.943 0.083 25818 1863 1 8 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.764 0.044 25818 1864 1 8 . 1 1 39 39 ARG CB C 39 31.178 31.178 31.097 0.081 25818 1865 1 8 . 1 1 39 39 ARG H H 39 8.311 8.311 8.350 -0.039 25818 1866 1 8 . 1 1 40 40 GLU N N 40 122.834 122.834 123.152 -0.318 25818 1867 1 8 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.619 -0.335 25818 1868 1 8 . 1 1 40 40 GLU CA C 40 54.336 54.336 54.248 0.088 25818 1869 1 8 . 1 1 40 40 GLU CB C 40 29.606 29.606 30.251 -0.645 25818 1870 1 8 . 1 1 40 40 GLU H H 40 8.346 8.346 8.676 -0.330 25818 1871 1 8 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.363 -0.031 25818 1872 1 8 . 1 1 41 41 PRO C C 41 177.496 177.496 177.104 0.392 25818 1873 1 8 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.307 0.486 25818 1874 1 8 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.240 -0.446 25818 1875 1 8 . 1 1 42 42 GLY N N 42 108.890 108.890 109.076 -0.186 25818 1876 1 8 . 1 1 42 42 GLY C C 42 173.808 173.808 174.389 -0.581 25818 1877 1 8 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.046 0.187 25818 1878 1 8 . 1 1 42 42 GLY H H 42 8.412 8.412 8.680 -0.268 25818 1879 1 8 . 1 1 43 43 ALA N N 43 123.534 123.534 122.352 1.182 25818 1880 1 8 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.316 -0.019 25818 1881 1 8 . 1 1 43 43 ALA C C 43 177.567 177.567 176.449 1.118 25818 1882 1 8 . 1 1 43 43 ALA CA C 43 52.486 52.486 51.891 0.595 25818 1883 1 8 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.679 -0.254 25818 1884 1 8 . 1 1 43 43 ALA H H 43 7.929 7.929 8.051 -0.122 25818 1885 1 8 . 1 1 44 44 VAL N N 44 118.351 118.351 121.433 -3.082 25818 1886 1 8 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.184 -0.066 25818 1887 1 8 . 1 1 44 44 VAL C C 44 175.647 175.647 175.584 0.063 25818 1888 1 8 . 1 1 44 44 VAL CA C 44 62.060 62.060 61.542 0.518 25818 1889 1 8 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.474 0.427 25818 1890 1 8 . 1 1 44 44 VAL H H 44 7.985 7.985 7.878 0.107 25818 1891 1 8 . 1 1 45 45 SER N N 45 119.089 119.089 122.473 -3.384 25818 1892 1 8 . 1 1 45 45 SER HA H 45 4.394 4.394 4.430 -0.036 25818 1893 1 8 . 1 1 45 45 SER C C 45 172.840 172.840 173.605 -0.765 25818 1894 1 8 . 1 1 45 45 SER CA C 45 57.993 57.993 57.921 0.072 25818 1895 1 8 . 1 1 45 45 SER CB C 45 64.261 64.261 63.747 0.514 25818 1896 1 8 . 1 1 45 45 SER H H 45 8.081 8.081 8.358 -0.277 25818 1897 1 9 . 1 1 2 2 SER N N 2 115.072 115.072 116.338 -1.266 25818 1898 1 9 . 1 1 2 2 SER HA H 2 4.322 4.322 4.232 0.090 25818 1899 1 9 . 1 1 2 2 SER C C 2 175.102 175.102 176.150 -1.048 25818 1900 1 9 . 1 1 2 2 SER CA C 2 58.862 58.862 61.005 -2.143 25818 1901 1 9 . 1 1 2 2 SER CB C 2 63.783 63.783 62.990 0.793 25818 1902 1 9 . 1 1 2 2 SER H H 2 8.287 8.287 8.662 -0.375 25818 1903 1 9 . 1 1 3 3 LYS N N 3 122.944 122.944 119.726 3.218 25818 1904 1 9 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.158 0.065 25818 1905 1 9 . 1 1 3 3 LYS C C 3 177.259 177.259 178.521 -1.262 25818 1906 1 9 . 1 1 3 3 LYS CA C 3 57.484 57.484 58.850 -1.366 25818 1907 1 9 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.047 0.183 25818 1908 1 9 . 1 1 3 3 LYS H H 3 8.418 8.418 8.358 0.060 25818 1909 1 9 . 1 1 4 4 GLU N N 4 119.651 119.651 120.352 -0.701 25818 1910 1 9 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.151 -0.065 25818 1911 1 9 . 1 1 4 4 GLU C C 4 177.164 177.164 178.484 -1.320 25818 1912 1 9 . 1 1 4 4 GLU CA C 4 58.874 58.874 58.983 -0.109 25818 1913 1 9 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.264 0.143 25818 1914 1 9 . 1 1 4 4 GLU H H 4 8.583 8.583 8.041 0.542 25818 1915 1 9 . 1 1 5 5 LEU N N 5 119.754 119.754 119.727 0.027 25818 1916 1 9 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.928 0.241 25818 1917 1 9 . 1 1 5 5 LEU C C 5 178.517 178.517 179.366 -0.849 25818 1918 1 9 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.987 -1.351 25818 1919 1 9 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.793 0.137 25818 1920 1 9 . 1 1 5 5 LEU H H 5 8.069 8.069 7.774 0.295 25818 1921 1 9 . 1 1 6 6 GLU N N 6 121.615 121.615 119.524 2.091 25818 1922 1 9 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.107 -0.019 25818 1923 1 9 . 1 1 6 6 GLU C C 6 177.306 177.306 178.897 -1.591 25818 1924 1 9 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.217 -0.209 25818 1925 1 9 . 1 1 6 6 GLU H H 6 8.367 8.367 7.848 0.519 25818 1926 1 9 . 1 1 7 7 LEU N N 7 119.398 119.398 121.449 -2.051 25818 1927 1 9 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.305 -0.479 25818 1928 1 9 . 1 1 7 7 LEU H H 7 8.215 8.215 7.533 0.682 25818 1929 1 9 . 1 1 8 8 ILE N N 8 120.843 120.843 119.213 1.630 25818 1930 1 9 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.929 -0.627 25818 1931 1 9 . 1 1 8 8 ILE H H 8 8.518 8.518 7.904 0.614 25818 1932 1 9 . 1 1 9 9 THR N N 9 115.829 115.829 116.812 -0.983 25818 1933 1 9 . 1 1 9 9 THR CA C 9 67.586 67.586 67.089 0.497 25818 1934 1 9 . 1 1 9 9 THR H H 9 7.782 7.782 7.747 0.035 25818 1935 1 9 . 1 1 10 10 LEU N N 10 119.886 119.886 121.478 -1.592 25818 1936 1 9 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.120 -0.166 25818 1937 1 9 . 1 1 10 10 LEU C C 10 177.875 177.875 178.736 -0.861 25818 1938 1 9 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.091 0.393 25818 1939 1 9 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.152 0.810 25818 1940 1 9 . 1 1 10 10 LEU H H 10 8.086 8.086 8.282 -0.196 25818 1941 1 9 . 1 1 11 11 THR N N 11 114.351 114.351 116.895 -2.544 25818 1942 1 9 . 1 1 11 11 THR HA H 11 4.220 4.220 3.967 0.253 25818 1943 1 9 . 1 1 11 11 THR CA C 11 67.939 67.939 67.512 0.427 25818 1944 1 9 . 1 1 11 11 THR H H 11 8.033 8.033 7.930 0.103 25818 1945 1 9 . 1 1 12 12 VAL N N 12 120.398 120.398 121.126 -0.728 25818 1946 1 9 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.631 -0.063 25818 1947 1 9 . 1 1 12 12 VAL C C 12 177.733 177.733 178.044 -0.311 25818 1948 1 9 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.966 0.175 25818 1949 1 9 . 1 1 12 12 VAL H H 12 8.263 8.263 8.217 0.046 25818 1950 1 9 . 1 1 13 13 GLY N N 13 106.524 106.524 108.301 -1.777 25818 1951 1 9 . 1 1 13 13 GLY C C 13 174.414 174.414 175.762 -1.348 25818 1952 1 9 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.138 0.698 25818 1953 1 9 . 1 1 13 13 GLY H H 13 8.563 8.563 7.822 0.741 25818 1954 1 9 . 1 1 14 14 PHE N N 14 120.589 120.589 122.954 -2.365 25818 1955 1 9 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.373 -0.163 25818 1956 1 9 . 1 1 14 14 PHE C C 14 177.591 177.591 177.265 0.326 25818 1957 1 9 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.340 1.363 25818 1958 1 9 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.382 -0.466 25818 1959 1 9 . 1 1 14 14 PHE H H 14 8.678 8.678 8.416 0.262 25818 1960 1 9 . 1 1 15 15 GLY N N 15 106.691 106.691 108.197 -1.506 25818 1961 1 9 . 1 1 15 15 GLY C C 15 174.533 174.533 175.811 -1.278 25818 1962 1 9 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.214 0.493 25818 1963 1 9 . 1 1 15 15 GLY H H 15 8.582 8.582 8.593 -0.011 25818 1964 1 9 . 1 1 16 16 ILE N N 16 120.894 120.894 122.859 -1.965 25818 1965 1 9 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.799 -0.159 25818 1966 1 9 . 1 1 16 16 ILE C C 16 178.658 178.658 177.537 1.121 25818 1967 1 9 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.773 0.657 25818 1968 1 9 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.028 -0.840 25818 1969 1 9 . 1 1 16 16 ILE H H 16 8.599 8.599 8.113 0.486 25818 1970 1 9 . 1 1 17 17 LEU N N 17 123.149 123.149 121.802 1.347 25818 1971 1 9 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.096 -0.136 25818 1972 1 9 . 1 1 17 17 LEU C C 17 178.207 178.207 179.436 -1.229 25818 1973 1 9 . 1 1 17 17 LEU CA C 17 58.861 58.861 57.814 1.047 25818 1974 1 9 . 1 1 17 17 LEU CB C 17 41.613 41.613 40.983 0.630 25818 1975 1 9 . 1 1 17 17 LEU H H 17 8.206 8.206 7.676 0.530 25818 1976 1 9 . 1 1 18 18 ILE N N 18 117.975 117.975 119.348 -1.373 25818 1977 1 9 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.518 0.044 25818 1978 1 9 . 1 1 18 18 ILE C C 18 177.738 177.738 178.301 -0.563 25818 1979 1 9 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.811 -0.242 25818 1980 1 9 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.895 -0.383 25818 1981 1 9 . 1 1 18 18 ILE H H 18 8.455 8.455 7.499 0.956 25818 1982 1 9 . 1 1 19 19 PHE N N 19 119.303 119.303 120.944 -1.641 25818 1983 1 9 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.025 0.044 25818 1984 1 9 . 1 1 19 19 PHE C C 19 177.069 177.069 177.134 -0.065 25818 1985 1 9 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.326 -0.375 25818 1986 1 9 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.132 -0.014 25818 1987 1 9 . 1 1 19 19 PHE H H 19 8.609 8.609 8.113 0.496 25818 1988 1 9 . 1 1 20 20 SER N N 20 114.834 114.834 116.067 -1.233 25818 1989 1 9 . 1 1 20 20 SER HA H 20 4.010 4.010 4.133 -0.123 25818 1990 1 9 . 1 1 20 20 SER C C 20 176.951 176.951 176.425 0.526 25818 1991 1 9 . 1 1 20 20 SER CA C 20 63.441 63.441 61.715 1.726 25818 1992 1 9 . 1 1 20 20 SER H H 20 8.571 8.571 8.336 0.235 25818 1993 1 9 . 1 1 21 21 LEU N N 21 124.956 124.956 123.367 1.589 25818 1994 1 9 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.977 0.075 25818 1995 1 9 . 1 1 21 21 LEU C C 21 178.041 178.041 178.532 -0.491 25818 1996 1 9 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.291 0.040 25818 1997 1 9 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.928 -0.157 25818 1998 1 9 . 1 1 21 21 LEU H H 21 8.193 8.193 8.227 -0.034 25818 1999 1 9 . 1 1 22 22 ILE N N 22 119.365 119.365 118.492 0.873 25818 2000 1 9 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.569 0.033 25818 2001 1 9 . 1 1 22 22 ILE C C 22 178.539 178.539 177.847 0.692 25818 2002 1 9 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.314 0.649 25818 2003 1 9 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.554 0.310 25818 2004 1 9 . 1 1 22 22 ILE H H 22 8.131 8.131 7.653 0.478 25818 2005 1 9 . 1 1 23 23 VAL N N 23 119.397 119.397 120.372 -0.975 25818 2006 1 9 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.548 -0.206 25818 2007 1 9 . 1 1 23 23 VAL C C 23 177.330 177.330 178.208 -0.878 25818 2008 1 9 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.590 1.093 25818 2009 1 9 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.081 0.290 25818 2010 1 9 . 1 1 23 23 VAL H H 23 8.440 8.440 7.407 1.033 25818 2011 1 9 . 1 1 24 24 THR N N 24 114.854 114.854 117.078 -2.224 25818 2012 1 9 . 1 1 24 24 THR HA H 24 4.172 4.172 3.913 0.259 25818 2013 1 9 . 1 1 24 24 THR C C 24 176.382 176.382 176.540 -0.158 25818 2014 1 9 . 1 1 24 24 THR CA C 24 68.010 68.010 67.394 0.616 25818 2015 1 9 . 1 1 24 24 THR H H 24 7.969 7.969 8.552 -0.583 25818 2016 1 9 . 1 1 25 25 TYR N N 25 121.421 121.421 123.339 -1.918 25818 2017 1 9 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.173 -0.163 25818 2018 1 9 . 1 1 25 25 TYR C C 25 177.425 177.425 177.061 0.364 25818 2019 1 9 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.172 0.265 25818 2020 1 9 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.321 0.445 25818 2021 1 9 . 1 1 25 25 TYR H H 25 8.364 8.364 8.061 0.303 25818 2022 1 9 . 1 1 26 26 CYS N N 26 116.170 116.170 117.764 -1.594 25818 2023 1 9 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.057 -0.118 25818 2024 1 9 . 1 1 26 26 CYS C C 26 176.335 176.335 177.347 -1.012 25818 2025 1 9 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.989 -0.746 25818 2026 1 9 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.304 0.166 25818 2027 1 9 . 1 1 26 26 CYS H H 26 8.323 8.323 7.990 0.333 25818 2028 1 9 . 1 1 27 27 ILE N N 27 116.693 116.693 121.295 -4.602 25818 2029 1 9 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.535 0.261 25818 2030 1 9 . 1 1 27 27 ILE C C 27 176.737 176.737 177.374 -0.637 25818 2031 1 9 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.546 -1.439 25818 2032 1 9 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.773 0.102 25818 2033 1 9 . 1 1 27 27 ILE H H 27 8.259 8.259 7.962 0.297 25818 2034 1 9 . 1 1 28 28 ASN N N 28 117.531 117.531 118.518 -0.987 25818 2035 1 9 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.254 0.175 25818 2036 1 9 . 1 1 28 28 ASN C C 28 175.766 175.766 177.366 -1.600 25818 2037 1 9 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.254 -0.402 25818 2038 1 9 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.412 1.352 25818 2039 1 9 . 1 1 28 28 ASN H H 28 7.853 7.853 8.189 -0.336 25818 2040 1 9 . 1 1 29 29 ALA N N 29 120.505 120.505 122.450 -1.945 25818 2041 1 9 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.982 0.136 25818 2042 1 9 . 1 1 29 29 ALA C C 29 177.638 177.638 179.279 -1.641 25818 2043 1 9 . 1 1 29 29 ALA CA C 29 53.303 53.303 55.039 -1.736 25818 2044 1 9 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.265 0.720 25818 2045 1 9 . 1 1 29 29 ALA H H 29 8.050 8.050 7.588 0.462 25818 2046 1 9 . 1 1 30 30 LYS N N 30 116.476 116.476 117.652 -1.176 25818 2047 1 9 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.047 0.280 25818 2048 1 9 . 1 1 30 30 LYS C C 30 176.192 176.192 178.271 -2.079 25818 2049 1 9 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.912 -3.419 25818 2050 1 9 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.342 -0.511 25818 2051 1 9 . 1 1 30 30 LYS H H 30 7.771 7.771 7.709 0.062 25818 2052 1 9 . 1 1 31 31 ALA N N 31 122.457 122.457 120.635 1.822 25818 2053 1 9 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.491 -0.362 25818 2054 1 9 . 1 1 31 31 ALA C C 31 177.401 177.401 179.031 -1.630 25818 2055 1 9 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.297 -0.559 25818 2056 1 9 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.251 0.011 25818 2057 1 9 . 1 1 31 31 ALA H H 31 7.924 7.924 7.907 0.017 25818 2058 1 9 . 1 1 32 32 ASP N N 32 116.883 116.883 119.382 -2.499 25818 2059 1 9 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.646 -0.221 25818 2060 1 9 . 1 1 32 32 ASP C C 32 176.690 176.690 177.797 -1.107 25818 2061 1 9 . 1 1 32 32 ASP CA C 32 55.303 55.303 56.852 -1.549 25818 2062 1 9 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.623 -0.403 25818 2063 1 9 . 1 1 32 32 ASP H H 32 8.401 8.401 7.833 0.568 25818 2064 1 9 . 1 1 33 33 VAL N N 33 116.175 116.175 119.097 -2.922 25818 2065 1 9 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.826 0.256 25818 2066 1 9 . 1 1 33 33 VAL C C 33 175.552 175.552 176.761 -1.209 25818 2067 1 9 . 1 1 33 33 VAL CA C 33 62.761 62.761 64.581 -1.820 25818 2068 1 9 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.615 0.791 25818 2069 1 9 . 1 1 33 33 VAL H H 33 7.665 7.665 7.759 -0.094 25818 2070 1 9 . 1 1 34 34 LEU N N 34 120.012 120.012 118.192 1.820 25818 2071 1 9 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.294 -0.154 25818 2072 1 9 . 1 1 34 34 LEU C C 34 176.382 176.382 177.854 -1.472 25818 2073 1 9 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.587 -0.923 25818 2074 1 9 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.648 -0.161 25818 2075 1 9 . 1 1 34 34 LEU H H 34 7.795 7.795 7.438 0.357 25818 2076 1 9 . 1 1 35 35 PHE N N 35 116.572 116.572 116.687 -0.115 25818 2077 1 9 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.408 0.187 25818 2078 1 9 . 1 1 35 35 PHE C C 35 174.960 174.960 176.452 -1.492 25818 2079 1 9 . 1 1 35 35 PHE CA C 35 57.734 57.734 59.126 -1.392 25818 2080 1 9 . 1 1 35 35 PHE CB C 35 39.289 39.289 37.757 1.532 25818 2081 1 9 . 1 1 35 35 PHE H H 35 7.793 7.793 7.623 0.170 25818 2082 1 9 . 1 1 36 36 ILE N N 36 119.136 119.136 118.732 0.404 25818 2083 1 9 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.948 0.160 25818 2084 1 9 . 1 1 36 36 ILE C C 36 174.975 174.975 176.918 -1.943 25818 2085 1 9 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.042 -2.179 25818 2086 1 9 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.968 1.042 25818 2087 1 9 . 1 1 36 36 ILE H H 36 7.686 7.686 7.419 0.267 25818 2088 1 9 . 1 1 37 37 ALA N N 37 127.555 127.555 122.347 5.208 25818 2089 1 9 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.596 -0.083 25818 2090 1 9 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.334 0.103 25818 2091 1 9 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.868 -0.551 25818 2092 1 9 . 1 1 37 37 ALA H H 37 8.169 8.169 8.107 0.062 25818 2093 1 9 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.604 -0.219 25818 2094 1 9 . 1 1 38 38 PRO C C 38 176.643 176.643 176.112 0.531 25818 2095 1 9 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.715 0.283 25818 2096 1 9 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.641 -0.792 25818 2097 1 9 . 1 1 39 39 ARG N N 39 121.037 121.037 121.023 0.014 25818 2098 1 9 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.665 -0.388 25818 2099 1 9 . 1 1 39 39 ARG C C 39 176.026 176.026 175.294 0.732 25818 2100 1 9 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.647 0.161 25818 2101 1 9 . 1 1 39 39 ARG CB C 39 31.178 31.178 31.254 -0.076 25818 2102 1 9 . 1 1 39 39 ARG H H 39 8.311 8.311 8.540 -0.229 25818 2103 1 9 . 1 1 40 40 GLU N N 40 122.834 122.834 123.298 -0.464 25818 2104 1 9 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.806 -0.522 25818 2105 1 9 . 1 1 40 40 GLU CA C 40 54.336 54.336 52.919 1.417 25818 2106 1 9 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.231 0.375 25818 2107 1 9 . 1 1 40 40 GLU H H 40 8.346 8.346 8.622 -0.276 25818 2108 1 9 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.357 -0.025 25818 2109 1 9 . 1 1 41 41 PRO C C 41 177.496 177.496 177.187 0.309 25818 2110 1 9 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.634 0.159 25818 2111 1 9 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.832 0.962 25818 2112 1 9 . 1 1 42 42 GLY N N 42 108.890 108.890 113.252 -4.362 25818 2113 1 9 . 1 1 42 42 GLY C C 42 173.808 173.808 174.159 -0.351 25818 2114 1 9 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.610 0.623 25818 2115 1 9 . 1 1 42 42 GLY H H 42 8.412 8.412 8.724 -0.312 25818 2116 1 9 . 1 1 43 43 ALA N N 43 123.534 123.534 123.752 -0.218 25818 2117 1 9 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.115 0.182 25818 2118 1 9 . 1 1 43 43 ALA C C 43 177.567 177.567 177.421 0.146 25818 2119 1 9 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.874 -0.388 25818 2120 1 9 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.306 0.119 25818 2121 1 9 . 1 1 43 43 ALA H H 43 7.929 7.929 7.395 0.534 25818 2122 1 9 . 1 1 44 44 VAL N N 44 118.351 118.351 121.860 -3.509 25818 2123 1 9 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.017 0.101 25818 2124 1 9 . 1 1 44 44 VAL C C 44 175.647 175.647 176.236 -0.589 25818 2125 1 9 . 1 1 44 44 VAL CA C 44 62.060 62.060 63.206 -1.146 25818 2126 1 9 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.215 1.686 25818 2127 1 9 . 1 1 44 44 VAL H H 44 7.985 7.985 8.198 -0.213 25818 2128 1 9 . 1 1 45 45 SER N N 45 119.089 119.089 121.973 -2.884 25818 2129 1 9 . 1 1 45 45 SER HA H 45 4.394 4.394 4.661 -0.267 25818 2130 1 9 . 1 1 45 45 SER C C 45 172.840 172.840 173.499 -0.659 25818 2131 1 9 . 1 1 45 45 SER CA C 45 57.993 57.993 57.752 0.241 25818 2132 1 9 . 1 1 45 45 SER CB C 45 64.261 64.261 64.234 0.027 25818 2133 1 9 . 1 1 45 45 SER H H 45 8.081 8.081 8.338 -0.257 25818 2134 1 10 . 1 1 2 2 SER N N 2 115.072 115.072 115.632 -0.560 25818 2135 1 10 . 1 1 2 2 SER HA H 2 4.322 4.322 4.246 0.076 25818 2136 1 10 . 1 1 2 2 SER C C 2 175.102 175.102 175.851 -0.749 25818 2137 1 10 . 1 1 2 2 SER CA C 2 58.862 58.862 59.657 -0.795 25818 2138 1 10 . 1 1 2 2 SER CB C 2 63.783 63.783 62.855 0.928 25818 2139 1 10 . 1 1 2 2 SER H H 2 8.287 8.287 8.597 -0.310 25818 2140 1 10 . 1 1 3 3 LYS N N 3 122.944 122.944 121.559 1.385 25818 2141 1 10 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.057 0.166 25818 2142 1 10 . 1 1 3 3 LYS C C 3 177.259 177.259 178.921 -1.662 25818 2143 1 10 . 1 1 3 3 LYS CA C 3 57.484 57.484 58.936 -1.452 25818 2144 1 10 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.087 0.143 25818 2145 1 10 . 1 1 3 3 LYS H H 3 8.418 8.418 8.294 0.124 25818 2146 1 10 . 1 1 4 4 GLU N N 4 119.651 119.651 119.778 -0.127 25818 2147 1 10 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.078 0.008 25818 2148 1 10 . 1 1 4 4 GLU C C 4 177.164 177.164 178.860 -1.696 25818 2149 1 10 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.241 -0.367 25818 2150 1 10 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.105 0.302 25818 2151 1 10 . 1 1 4 4 GLU H H 4 8.583 8.583 7.775 0.808 25818 2152 1 10 . 1 1 5 5 LEU N N 5 119.754 119.754 119.669 0.085 25818 2153 1 10 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.987 0.182 25818 2154 1 10 . 1 1 5 5 LEU C C 5 178.517 178.517 179.074 -0.557 25818 2155 1 10 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.739 -1.103 25818 2156 1 10 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.623 0.307 25818 2157 1 10 . 1 1 5 5 LEU H H 5 8.069 8.069 8.107 -0.038 25818 2158 1 10 . 1 1 6 6 GLU N N 6 121.615 121.615 120.152 1.463 25818 2159 1 10 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.988 0.100 25818 2160 1 10 . 1 1 6 6 GLU C C 6 177.306 177.306 179.063 -1.757 25818 2161 1 10 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.554 -0.546 25818 2162 1 10 . 1 1 6 6 GLU H H 6 8.367 8.367 7.867 0.500 25818 2163 1 10 . 1 1 7 7 LEU N N 7 119.398 119.398 120.870 -1.472 25818 2164 1 10 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.237 -0.411 25818 2165 1 10 . 1 1 7 7 LEU H H 7 8.215 8.215 8.051 0.164 25818 2166 1 10 . 1 1 8 8 ILE N N 8 120.843 120.843 118.710 2.133 25818 2167 1 10 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.502 -0.200 25818 2168 1 10 . 1 1 8 8 ILE H H 8 8.518 8.518 7.964 0.554 25818 2169 1 10 . 1 1 9 9 THR N N 9 115.829 115.829 116.942 -1.113 25818 2170 1 10 . 1 1 9 9 THR CA C 9 67.586 67.586 67.131 0.455 25818 2171 1 10 . 1 1 9 9 THR H H 9 7.782 7.782 7.821 -0.039 25818 2172 1 10 . 1 1 10 10 LEU N N 10 119.886 119.886 122.115 -2.229 25818 2173 1 10 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.954 -0.000 25818 2174 1 10 . 1 1 10 10 LEU C C 10 177.875 177.875 178.338 -0.463 25818 2175 1 10 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.514 -0.030 25818 2176 1 10 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.862 0.100 25818 2177 1 10 . 1 1 10 10 LEU H H 10 8.086 8.086 8.383 -0.296 25818 2178 1 10 . 1 1 11 11 THR N N 11 114.351 114.351 116.103 -1.752 25818 2179 1 10 . 1 1 11 11 THR HA H 11 4.220 4.220 3.958 0.262 25818 2180 1 10 . 1 1 11 11 THR CA C 11 67.939 67.939 67.623 0.317 25818 2181 1 10 . 1 1 11 11 THR H H 11 8.033 8.033 7.810 0.223 25818 2182 1 10 . 1 1 12 12 VAL N N 12 120.398 120.398 120.663 -0.265 25818 2183 1 10 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.714 -0.146 25818 2184 1 10 . 1 1 12 12 VAL C C 12 177.733 177.733 178.299 -0.566 25818 2185 1 10 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.497 0.644 25818 2186 1 10 . 1 1 12 12 VAL H H 12 8.263 8.263 7.668 0.595 25818 2187 1 10 . 1 1 13 13 GLY N N 13 106.524 106.524 108.735 -2.211 25818 2188 1 10 . 1 1 13 13 GLY C C 13 174.414 174.414 175.889 -1.475 25818 2189 1 10 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.122 0.714 25818 2190 1 10 . 1 1 13 13 GLY H H 13 8.563 8.563 8.311 0.252 25818 2191 1 10 . 1 1 14 14 PHE N N 14 120.589 120.589 123.033 -2.444 25818 2192 1 10 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.341 -0.131 25818 2193 1 10 . 1 1 14 14 PHE C C 14 177.591 177.591 177.324 0.267 25818 2194 1 10 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.522 1.180 25818 2195 1 10 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.418 -0.502 25818 2196 1 10 . 1 1 14 14 PHE H H 14 8.678 8.678 8.852 -0.174 25818 2197 1 10 . 1 1 15 15 GLY N N 15 106.691 106.691 107.955 -1.264 25818 2198 1 10 . 1 1 15 15 GLY C C 15 174.533 174.533 175.808 -1.275 25818 2199 1 10 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.238 0.469 25818 2200 1 10 . 1 1 15 15 GLY H H 15 8.582 8.582 8.605 -0.023 25818 2201 1 10 . 1 1 16 16 ILE N N 16 120.894 120.894 122.861 -1.967 25818 2202 1 10 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.790 -0.150 25818 2203 1 10 . 1 1 16 16 ILE C C 16 178.658 178.658 177.440 1.218 25818 2204 1 10 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.537 0.893 25818 2205 1 10 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.117 -0.930 25818 2206 1 10 . 1 1 16 16 ILE H H 16 8.599 8.599 7.776 0.823 25818 2207 1 10 . 1 1 17 17 LEU N N 17 123.149 123.149 121.149 2.000 25818 2208 1 10 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.902 0.058 25818 2209 1 10 . 1 1 17 17 LEU C C 17 178.207 178.207 178.808 -0.601 25818 2210 1 10 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.117 0.744 25818 2211 1 10 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.892 -0.279 25818 2212 1 10 . 1 1 17 17 LEU H H 17 8.206 8.206 7.710 0.496 25818 2213 1 10 . 1 1 18 18 ILE N N 18 117.975 117.975 119.236 -1.261 25818 2214 1 10 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.540 0.022 25818 2215 1 10 . 1 1 18 18 ILE C C 18 177.738 177.738 178.255 -0.517 25818 2216 1 10 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.873 -0.304 25818 2217 1 10 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.029 -0.517 25818 2218 1 10 . 1 1 18 18 ILE H H 18 8.455 8.455 7.501 0.954 25818 2219 1 10 . 1 1 19 19 PHE N N 19 119.303 119.303 120.348 -1.045 25818 2220 1 10 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.094 -0.025 25818 2221 1 10 . 1 1 19 19 PHE C C 19 177.069 177.069 177.675 -0.606 25818 2222 1 10 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.132 -0.180 25818 2223 1 10 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.892 0.226 25818 2224 1 10 . 1 1 19 19 PHE H H 19 8.609 8.609 7.933 0.676 25818 2225 1 10 . 1 1 20 20 SER N N 20 114.834 114.834 116.661 -1.827 25818 2226 1 10 . 1 1 20 20 SER HA H 20 4.010 4.010 4.139 -0.129 25818 2227 1 10 . 1 1 20 20 SER C C 20 176.951 176.951 176.322 0.629 25818 2228 1 10 . 1 1 20 20 SER CA C 20 63.441 63.441 61.965 1.476 25818 2229 1 10 . 1 1 20 20 SER H H 20 8.571 8.571 8.447 0.124 25818 2230 1 10 . 1 1 21 21 LEU N N 21 124.956 124.956 123.632 1.324 25818 2231 1 10 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.015 0.037 25818 2232 1 10 . 1 1 21 21 LEU C C 21 178.041 178.041 178.210 -0.169 25818 2233 1 10 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.303 0.028 25818 2234 1 10 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.996 -0.225 25818 2235 1 10 . 1 1 21 21 LEU H H 21 8.193 8.193 8.216 -0.023 25818 2236 1 10 . 1 1 22 22 ILE N N 22 119.365 119.365 118.501 0.864 25818 2237 1 10 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.669 -0.067 25818 2238 1 10 . 1 1 22 22 ILE C C 22 178.539 178.539 177.843 0.696 25818 2239 1 10 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.191 0.772 25818 2240 1 10 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.655 0.209 25818 2241 1 10 . 1 1 22 22 ILE H H 22 8.131 8.131 7.576 0.555 25818 2242 1 10 . 1 1 23 23 VAL N N 23 119.397 119.397 120.596 -1.199 25818 2243 1 10 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.624 -0.282 25818 2244 1 10 . 1 1 23 23 VAL C C 23 177.330 177.330 178.261 -0.931 25818 2245 1 10 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.176 1.507 25818 2246 1 10 . 1 1 23 23 VAL CB C 23 31.371 31.371 30.935 0.436 25818 2247 1 10 . 1 1 23 23 VAL H H 23 8.440 8.440 7.724 0.716 25818 2248 1 10 . 1 1 24 24 THR N N 24 114.854 114.854 116.540 -1.686 25818 2249 1 10 . 1 1 24 24 THR HA H 24 4.172 4.172 3.996 0.176 25818 2250 1 10 . 1 1 24 24 THR C C 24 176.382 176.382 176.306 0.076 25818 2251 1 10 . 1 1 24 24 THR CA C 24 68.010 68.010 67.199 0.811 25818 2252 1 10 . 1 1 24 24 THR H H 24 7.969 7.969 8.558 -0.589 25818 2253 1 10 . 1 1 25 25 TYR N N 25 121.421 121.421 123.458 -2.037 25818 2254 1 10 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.219 -0.209 25818 2255 1 10 . 1 1 25 25 TYR C C 25 177.425 177.425 177.356 0.069 25818 2256 1 10 . 1 1 25 25 TYR CA C 25 62.436 62.436 61.770 0.666 25818 2257 1 10 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.253 0.513 25818 2258 1 10 . 1 1 25 25 TYR H H 25 8.364 8.364 7.854 0.510 25818 2259 1 10 . 1 1 26 26 CYS N N 26 116.170 116.170 117.972 -1.802 25818 2260 1 10 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.911 0.028 25818 2261 1 10 . 1 1 26 26 CYS C C 26 176.335 176.335 177.302 -0.967 25818 2262 1 10 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.218 0.025 25818 2263 1 10 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.687 0.783 25818 2264 1 10 . 1 1 26 26 CYS H H 26 8.323 8.323 8.017 0.306 25818 2265 1 10 . 1 1 27 27 ILE N N 27 116.693 116.693 121.595 -4.902 25818 2266 1 10 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.602 0.194 25818 2267 1 10 . 1 1 27 27 ILE C C 27 176.737 176.737 177.666 -0.929 25818 2268 1 10 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.522 -1.415 25818 2269 1 10 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.882 -0.007 25818 2270 1 10 . 1 1 27 27 ILE H H 27 8.259 8.259 7.813 0.446 25818 2271 1 10 . 1 1 28 28 ASN N N 28 117.531 117.531 117.919 -0.388 25818 2272 1 10 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.452 -0.023 25818 2273 1 10 . 1 1 28 28 ASN C C 28 175.766 175.766 176.344 -0.578 25818 2274 1 10 . 1 1 28 28 ASN CA C 28 55.852 55.852 55.781 0.071 25818 2275 1 10 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.125 1.639 25818 2276 1 10 . 1 1 28 28 ASN H H 28 7.853 7.853 8.101 -0.248 25818 2277 1 10 . 1 1 29 29 ALA N N 29 120.505 120.505 120.188 0.317 25818 2278 1 10 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.077 0.041 25818 2279 1 10 . 1 1 29 29 ALA C C 29 177.638 177.638 179.566 -1.928 25818 2280 1 10 . 1 1 29 29 ALA CA C 29 53.303 53.303 53.935 -0.632 25818 2281 1 10 . 1 1 29 29 ALA CB C 29 18.985 18.985 19.141 -0.156 25818 2282 1 10 . 1 1 29 29 ALA H H 29 8.050 8.050 7.537 0.513 25818 2283 1 10 . 1 1 30 30 LYS N N 30 116.476 116.476 119.645 -3.169 25818 2284 1 10 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.993 0.334 25818 2285 1 10 . 1 1 30 30 LYS C C 30 176.192 176.192 178.682 -2.490 25818 2286 1 10 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.922 -3.429 25818 2287 1 10 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.214 -0.383 25818 2288 1 10 . 1 1 30 30 LYS H H 30 7.771 7.771 8.006 -0.235 25818 2289 1 10 . 1 1 31 31 ALA N N 31 122.457 122.457 122.335 0.122 25818 2290 1 10 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.090 0.039 25818 2291 1 10 . 1 1 31 31 ALA C C 31 177.401 177.401 178.857 -1.456 25818 2292 1 10 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.330 -0.592 25818 2293 1 10 . 1 1 31 31 ALA CB C 31 19.262 19.262 17.962 1.300 25818 2294 1 10 . 1 1 31 31 ALA H H 31 7.924 7.924 7.854 0.070 25818 2295 1 10 . 1 1 32 32 ASP N N 32 116.883 116.883 119.875 -2.992 25818 2296 1 10 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.502 -0.077 25818 2297 1 10 . 1 1 32 32 ASP C C 32 176.690 176.690 178.428 -1.738 25818 2298 1 10 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.768 -2.465 25818 2299 1 10 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.431 -0.211 25818 2300 1 10 . 1 1 32 32 ASP H H 32 8.401 8.401 8.049 0.352 25818 2301 1 10 . 1 1 33 33 VAL N N 33 116.175 116.175 118.905 -2.730 25818 2302 1 10 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.725 0.357 25818 2303 1 10 . 1 1 33 33 VAL C C 33 175.552 175.552 177.612 -2.060 25818 2304 1 10 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.475 -2.714 25818 2305 1 10 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.695 0.711 25818 2306 1 10 . 1 1 33 33 VAL H H 33 7.665 7.665 7.652 0.013 25818 2307 1 10 . 1 1 34 34 LEU N N 34 120.012 120.012 119.229 0.783 25818 2308 1 10 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.104 0.036 25818 2309 1 10 . 1 1 34 34 LEU C C 34 176.382 176.382 178.155 -1.773 25818 2310 1 10 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.306 -0.642 25818 2311 1 10 . 1 1 34 34 LEU CB C 34 42.486 42.486 41.251 1.235 25818 2312 1 10 . 1 1 34 34 LEU H H 34 7.795 7.795 7.581 0.214 25818 2313 1 10 . 1 1 35 35 PHE N N 35 116.572 116.572 116.090 0.482 25818 2314 1 10 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.278 0.317 25818 2315 1 10 . 1 1 35 35 PHE C C 35 174.960 174.960 177.209 -2.249 25818 2316 1 10 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.826 -3.092 25818 2317 1 10 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.245 0.044 25818 2318 1 10 . 1 1 35 35 PHE H H 35 7.793 7.793 7.636 0.157 25818 2319 1 10 . 1 1 36 36 ILE N N 36 119.136 119.136 118.623 0.513 25818 2320 1 10 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.132 -0.024 25818 2321 1 10 . 1 1 36 36 ILE C C 36 174.975 174.975 176.457 -1.482 25818 2322 1 10 . 1 1 36 36 ILE CA C 36 60.863 60.863 62.277 -1.414 25818 2323 1 10 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.646 0.364 25818 2324 1 10 . 1 1 36 36 ILE H H 36 7.686 7.686 7.458 0.228 25818 2325 1 10 . 1 1 37 37 ALA N N 37 127.555 127.555 122.667 4.888 25818 2326 1 10 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.677 -0.164 25818 2327 1 10 . 1 1 37 37 ALA CA C 37 50.437 50.437 49.979 0.458 25818 2328 1 10 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.403 -0.086 25818 2329 1 10 . 1 1 37 37 ALA H H 37 8.169 8.169 7.714 0.455 25818 2330 1 10 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.390 -0.005 25818 2331 1 10 . 1 1 38 38 PRO C C 38 176.643 176.643 176.385 0.258 25818 2332 1 10 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.508 0.490 25818 2333 1 10 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.507 -0.657 25818 2334 1 10 . 1 1 39 39 ARG N N 39 121.037 121.037 120.107 0.930 25818 2335 1 10 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.381 -0.104 25818 2336 1 10 . 1 1 39 39 ARG C C 39 176.026 176.026 176.086 -0.060 25818 2337 1 10 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.900 -0.092 25818 2338 1 10 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.376 0.802 25818 2339 1 10 . 1 1 39 39 ARG H H 39 8.311 8.311 8.304 0.007 25818 2340 1 10 . 1 1 40 40 GLU N N 40 122.834 122.834 125.718 -2.884 25818 2341 1 10 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.772 -0.488 25818 2342 1 10 . 1 1 40 40 GLU CA C 40 54.336 54.336 52.886 1.450 25818 2343 1 10 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.279 0.327 25818 2344 1 10 . 1 1 40 40 GLU H H 40 8.346 8.346 8.541 -0.195 25818 2345 1 10 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.107 0.225 25818 2346 1 10 . 1 1 41 41 PRO C C 41 177.496 177.496 177.279 0.217 25818 2347 1 10 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.793 -1.000 25818 2348 1 10 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.326 0.468 25818 2349 1 10 . 1 1 42 42 GLY N N 42 108.890 108.890 110.919 -2.029 25818 2350 1 10 . 1 1 42 42 GLY C C 42 173.808 173.808 173.950 -0.142 25818 2351 1 10 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.501 0.732 25818 2352 1 10 . 1 1 42 42 GLY H H 42 8.412 8.412 8.420 -0.008 25818 2353 1 10 . 1 1 43 43 ALA N N 43 123.534 123.534 124.928 -1.394 25818 2354 1 10 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.224 0.073 25818 2355 1 10 . 1 1 43 43 ALA C C 43 177.567 177.567 177.741 -0.174 25818 2356 1 10 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.831 -0.345 25818 2357 1 10 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.544 -0.119 25818 2358 1 10 . 1 1 43 43 ALA H H 43 7.929 7.929 8.040 -0.111 25818 2359 1 10 . 1 1 44 44 VAL N N 44 118.351 118.351 122.446 -4.095 25818 2360 1 10 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.158 -0.040 25818 2361 1 10 . 1 1 44 44 VAL C C 44 175.647 175.647 175.990 -0.343 25818 2362 1 10 . 1 1 44 44 VAL CA C 44 62.060 62.060 61.428 0.632 25818 2363 1 10 . 1 1 44 44 VAL CB C 44 32.901 32.901 33.096 -0.195 25818 2364 1 10 . 1 1 44 44 VAL H H 44 7.985 7.985 8.247 -0.262 25818 2365 1 10 . 1 1 45 45 SER N N 45 119.089 119.089 122.679 -3.590 25818 2366 1 10 . 1 1 45 45 SER HA H 45 4.394 4.394 4.327 0.067 25818 2367 1 10 . 1 1 45 45 SER C C 45 172.840 172.840 173.955 -1.115 25818 2368 1 10 . 1 1 45 45 SER CA C 45 57.993 57.993 58.509 -0.516 25818 2369 1 10 . 1 1 45 45 SER CB C 45 64.261 64.261 62.788 1.473 25818 2370 1 10 . 1 1 45 45 SER H H 45 8.081 8.081 8.401 -0.320 25818 2371 1 11 . 1 1 2 2 SER N N 2 115.072 115.072 116.333 -1.261 25818 2372 1 11 . 1 1 2 2 SER HA H 2 4.322 4.322 4.222 0.100 25818 2373 1 11 . 1 1 2 2 SER C C 2 175.102 175.102 176.387 -1.285 25818 2374 1 11 . 1 1 2 2 SER CA C 2 58.862 58.862 60.829 -1.967 25818 2375 1 11 . 1 1 2 2 SER CB C 2 63.783 63.783 62.796 0.987 25818 2376 1 11 . 1 1 2 2 SER H H 2 8.287 8.287 8.429 -0.142 25818 2377 1 11 . 1 1 3 3 LYS N N 3 122.944 122.944 120.160 2.784 25818 2378 1 11 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.140 0.083 25818 2379 1 11 . 1 1 3 3 LYS C C 3 177.259 177.259 178.706 -1.447 25818 2380 1 11 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.331 -1.847 25818 2381 1 11 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.128 0.102 25818 2382 1 11 . 1 1 3 3 LYS H H 3 8.418 8.418 8.290 0.128 25818 2383 1 11 . 1 1 4 4 GLU N N 4 119.651 119.651 119.113 0.538 25818 2384 1 11 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.116 -0.030 25818 2385 1 11 . 1 1 4 4 GLU C C 4 177.164 177.164 178.915 -1.751 25818 2386 1 11 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.402 -0.528 25818 2387 1 11 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.141 0.266 25818 2388 1 11 . 1 1 4 4 GLU H H 4 8.583 8.583 8.210 0.373 25818 2389 1 11 . 1 1 5 5 LEU N N 5 119.754 119.754 119.965 -0.211 25818 2390 1 11 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.963 0.206 25818 2391 1 11 . 1 1 5 5 LEU C C 5 178.517 178.517 179.096 -0.579 25818 2392 1 11 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.302 -1.666 25818 2393 1 11 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.894 0.036 25818 2394 1 11 . 1 1 5 5 LEU H H 5 8.069 8.069 8.590 -0.521 25818 2395 1 11 . 1 1 6 6 GLU N N 6 121.615 121.615 119.390 2.225 25818 2396 1 11 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.965 0.123 25818 2397 1 11 . 1 1 6 6 GLU C C 6 177.306 177.306 179.438 -2.132 25818 2398 1 11 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.810 -0.802 25818 2399 1 11 . 1 1 6 6 GLU H H 6 8.367 8.367 8.362 0.005 25818 2400 1 11 . 1 1 7 7 LEU N N 7 119.398 119.398 120.722 -1.324 25818 2401 1 11 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.038 -0.212 25818 2402 1 11 . 1 1 7 7 LEU H H 7 8.215 8.215 8.297 -0.082 25818 2403 1 11 . 1 1 8 8 ILE N N 8 120.843 120.843 119.273 1.570 25818 2404 1 11 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.889 -0.587 25818 2405 1 11 . 1 1 8 8 ILE H H 8 8.518 8.518 7.692 0.826 25818 2406 1 11 . 1 1 9 9 THR N N 9 115.829 115.829 116.539 -0.710 25818 2407 1 11 . 1 1 9 9 THR CA C 9 67.586 67.586 66.910 0.676 25818 2408 1 11 . 1 1 9 9 THR H H 9 7.782 7.782 7.769 0.013 25818 2409 1 11 . 1 1 10 10 LEU N N 10 119.886 119.886 121.788 -1.902 25818 2410 1 11 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.030 -0.076 25818 2411 1 11 . 1 1 10 10 LEU C C 10 177.875 177.875 179.068 -1.193 25818 2412 1 11 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.487 -0.003 25818 2413 1 11 . 1 1 10 10 LEU CB C 10 41.962 41.962 40.983 0.979 25818 2414 1 11 . 1 1 10 10 LEU H H 10 8.086 8.086 8.330 -0.244 25818 2415 1 11 . 1 1 11 11 THR N N 11 114.351 114.351 116.248 -1.897 25818 2416 1 11 . 1 1 11 11 THR HA H 11 4.220 4.220 4.037 0.183 25818 2417 1 11 . 1 1 11 11 THR CA C 11 67.939 67.939 66.911 1.028 25818 2418 1 11 . 1 1 11 11 THR H H 11 8.033 8.033 8.503 -0.470 25818 2419 1 11 . 1 1 12 12 VAL N N 12 120.398 120.398 120.373 0.025 25818 2420 1 11 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.661 -0.093 25818 2421 1 11 . 1 1 12 12 VAL C C 12 177.733 177.733 178.282 -0.549 25818 2422 1 11 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.592 0.549 25818 2423 1 11 . 1 1 12 12 VAL H H 12 8.263 8.263 8.339 -0.076 25818 2424 1 11 . 1 1 13 13 GLY N N 13 106.524 106.524 109.147 -2.623 25818 2425 1 11 . 1 1 13 13 GLY C C 13 174.414 174.414 175.807 -1.393 25818 2426 1 11 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.137 0.699 25818 2427 1 11 . 1 1 13 13 GLY H H 13 8.563 8.563 8.218 0.345 25818 2428 1 11 . 1 1 14 14 PHE N N 14 120.589 120.589 123.122 -2.533 25818 2429 1 11 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.311 -0.101 25818 2430 1 11 . 1 1 14 14 PHE C C 14 177.591 177.591 177.347 0.244 25818 2431 1 11 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.256 1.446 25818 2432 1 11 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.259 -0.343 25818 2433 1 11 . 1 1 14 14 PHE H H 14 8.678 8.678 8.558 0.120 25818 2434 1 11 . 1 1 15 15 GLY N N 15 106.691 106.691 107.864 -1.173 25818 2435 1 11 . 1 1 15 15 GLY C C 15 174.533 174.533 175.839 -1.306 25818 2436 1 11 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.007 0.700 25818 2437 1 11 . 1 1 15 15 GLY H H 15 8.582 8.582 8.432 0.149 25818 2438 1 11 . 1 1 16 16 ILE N N 16 120.894 120.894 123.088 -2.194 25818 2439 1 11 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.725 -0.085 25818 2440 1 11 . 1 1 16 16 ILE C C 16 178.658 178.658 177.745 0.913 25818 2441 1 11 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.201 1.229 25818 2442 1 11 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.487 -0.299 25818 2443 1 11 . 1 1 16 16 ILE H H 16 8.599 8.599 7.873 0.726 25818 2444 1 11 . 1 1 17 17 LEU N N 17 123.149 123.149 121.043 2.106 25818 2445 1 11 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.953 0.007 25818 2446 1 11 . 1 1 17 17 LEU C C 17 178.207 178.207 179.000 -0.793 25818 2447 1 11 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.359 0.502 25818 2448 1 11 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.996 -0.383 25818 2449 1 11 . 1 1 17 17 LEU H H 17 8.206 8.206 7.744 0.462 25818 2450 1 11 . 1 1 18 18 ILE N N 18 117.975 117.975 119.405 -1.430 25818 2451 1 11 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.502 0.060 25818 2452 1 11 . 1 1 18 18 ILE C C 18 177.738 177.738 178.495 -0.757 25818 2453 1 11 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.012 -0.443 25818 2454 1 11 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.923 -0.411 25818 2455 1 11 . 1 1 18 18 ILE H H 18 8.455 8.455 7.526 0.929 25818 2456 1 11 . 1 1 19 19 PHE N N 19 119.303 119.303 118.990 0.313 25818 2457 1 11 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.135 -0.066 25818 2458 1 11 . 1 1 19 19 PHE C C 19 177.069 177.069 178.350 -1.281 25818 2459 1 11 . 1 1 19 19 PHE CA C 19 61.951 61.951 60.968 0.983 25818 2460 1 11 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.305 0.813 25818 2461 1 11 . 1 1 19 19 PHE H H 19 8.609 8.609 8.316 0.293 25818 2462 1 11 . 1 1 20 20 SER N N 20 114.834 114.834 115.821 -0.987 25818 2463 1 11 . 1 1 20 20 SER HA H 20 4.010 4.010 4.208 -0.198 25818 2464 1 11 . 1 1 20 20 SER C C 20 176.951 176.951 176.889 0.062 25818 2465 1 11 . 1 1 20 20 SER CA C 20 63.441 63.441 61.778 1.663 25818 2466 1 11 . 1 1 20 20 SER H H 20 8.571 8.571 7.985 0.586 25818 2467 1 11 . 1 1 21 21 LEU N N 21 124.956 124.956 123.571 1.385 25818 2468 1 11 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.106 -0.054 25818 2469 1 11 . 1 1 21 21 LEU C C 21 178.041 178.041 178.445 -0.404 25818 2470 1 11 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.012 0.319 25818 2471 1 11 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.920 -0.149 25818 2472 1 11 . 1 1 21 21 LEU H H 21 8.193 8.193 8.407 -0.214 25818 2473 1 11 . 1 1 22 22 ILE N N 22 119.365 119.365 118.622 0.743 25818 2474 1 11 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.648 -0.046 25818 2475 1 11 . 1 1 22 22 ILE C C 22 178.539 178.539 177.968 0.571 25818 2476 1 11 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.293 0.670 25818 2477 1 11 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.515 0.349 25818 2478 1 11 . 1 1 22 22 ILE H H 22 8.131 8.131 7.653 0.478 25818 2479 1 11 . 1 1 23 23 VAL N N 23 119.397 119.397 120.821 -1.424 25818 2480 1 11 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.677 -0.335 25818 2481 1 11 . 1 1 23 23 VAL C C 23 177.330 177.330 178.332 -1.002 25818 2482 1 11 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.960 0.723 25818 2483 1 11 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.107 0.264 25818 2484 1 11 . 1 1 23 23 VAL H H 23 8.440 8.440 7.628 0.812 25818 2485 1 11 . 1 1 24 24 THR N N 24 114.854 114.854 116.954 -2.100 25818 2486 1 11 . 1 1 24 24 THR HA H 24 4.172 4.172 4.026 0.146 25818 2487 1 11 . 1 1 24 24 THR C C 24 176.382 176.382 176.610 -0.228 25818 2488 1 11 . 1 1 24 24 THR CA C 24 68.010 68.010 67.178 0.832 25818 2489 1 11 . 1 1 24 24 THR H H 24 7.969 7.969 8.233 -0.264 25818 2490 1 11 . 1 1 25 25 TYR N N 25 121.421 121.421 123.675 -2.254 25818 2491 1 11 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.177 -0.167 25818 2492 1 11 . 1 1 25 25 TYR C C 25 177.425 177.425 177.358 0.067 25818 2493 1 11 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.336 0.100 25818 2494 1 11 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.323 0.443 25818 2495 1 11 . 1 1 25 25 TYR H H 25 8.364 8.364 8.034 0.330 25818 2496 1 11 . 1 1 26 26 CYS N N 26 116.170 116.170 117.920 -1.750 25818 2497 1 11 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.936 0.003 25818 2498 1 11 . 1 1 26 26 CYS C C 26 176.335 176.335 177.099 -0.764 25818 2499 1 11 . 1 1 26 26 CYS CA C 26 64.243 64.243 63.681 0.562 25818 2500 1 11 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.604 0.866 25818 2501 1 11 . 1 1 26 26 CYS H H 26 8.323 8.323 8.034 0.289 25818 2502 1 11 . 1 1 27 27 ILE N N 27 116.693 116.693 121.023 -4.330 25818 2503 1 11 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.538 0.258 25818 2504 1 11 . 1 1 27 27 ILE C C 27 176.737 176.737 177.546 -0.809 25818 2505 1 11 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.643 -1.536 25818 2506 1 11 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.728 0.147 25818 2507 1 11 . 1 1 27 27 ILE H H 27 8.259 8.259 7.827 0.432 25818 2508 1 11 . 1 1 28 28 ASN N N 28 117.531 117.531 117.718 -0.187 25818 2509 1 11 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.376 0.053 25818 2510 1 11 . 1 1 28 28 ASN C C 28 175.766 175.766 176.201 -0.435 25818 2511 1 11 . 1 1 28 28 ASN CA C 28 55.852 55.852 55.710 0.142 25818 2512 1 11 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.430 1.334 25818 2513 1 11 . 1 1 28 28 ASN H H 28 7.853 7.853 7.896 -0.043 25818 2514 1 11 . 1 1 29 29 ALA N N 29 120.505 120.505 121.061 -0.556 25818 2515 1 11 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.328 -0.210 25818 2516 1 11 . 1 1 29 29 ALA C C 29 177.638 177.638 179.142 -1.504 25818 2517 1 11 . 1 1 29 29 ALA CA C 29 53.303 53.303 53.714 -0.410 25818 2518 1 11 . 1 1 29 29 ALA CB C 29 18.985 18.985 19.496 -0.511 25818 2519 1 11 . 1 1 29 29 ALA H H 29 8.050 8.050 7.426 0.624 25818 2520 1 11 . 1 1 30 30 LYS N N 30 116.476 116.476 119.915 -3.439 25818 2521 1 11 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.060 0.267 25818 2522 1 11 . 1 1 30 30 LYS C C 30 176.192 176.192 178.737 -2.545 25818 2523 1 11 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.833 -3.340 25818 2524 1 11 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.259 -0.428 25818 2525 1 11 . 1 1 30 30 LYS H H 30 7.771 7.771 8.085 -0.314 25818 2526 1 11 . 1 1 31 31 ALA N N 31 122.457 122.457 122.163 0.294 25818 2527 1 11 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.287 -0.158 25818 2528 1 11 . 1 1 31 31 ALA C C 31 177.401 177.401 178.414 -1.013 25818 2529 1 11 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.293 -0.555 25818 2530 1 11 . 1 1 31 31 ALA CB C 31 19.262 19.262 18.159 1.103 25818 2531 1 11 . 1 1 31 31 ALA H H 31 7.924 7.924 7.861 0.063 25818 2532 1 11 . 1 1 32 32 ASP N N 32 116.883 116.883 118.302 -1.419 25818 2533 1 11 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.648 -0.223 25818 2534 1 11 . 1 1 32 32 ASP C C 32 176.690 176.690 177.236 -0.546 25818 2535 1 11 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.333 -2.030 25818 2536 1 11 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.768 -0.548 25818 2537 1 11 . 1 1 32 32 ASP H H 32 8.401 8.401 7.733 0.668 25818 2538 1 11 . 1 1 33 33 VAL N N 33 116.175 116.175 118.802 -2.627 25818 2539 1 11 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.900 0.182 25818 2540 1 11 . 1 1 33 33 VAL C C 33 175.552 175.552 176.415 -0.863 25818 2541 1 11 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.150 -2.389 25818 2542 1 11 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.943 0.463 25818 2543 1 11 . 1 1 33 33 VAL H H 33 7.665 7.665 7.638 0.027 25818 2544 1 11 . 1 1 34 34 LEU N N 34 120.012 120.012 119.930 0.082 25818 2545 1 11 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.232 -0.092 25818 2546 1 11 . 1 1 34 34 LEU C C 34 176.382 176.382 177.972 -1.590 25818 2547 1 11 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.889 -1.225 25818 2548 1 11 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.636 -0.151 25818 2549 1 11 . 1 1 34 34 LEU H H 34 7.795 7.795 7.307 0.488 25818 2550 1 11 . 1 1 35 35 PHE N N 35 116.572 116.572 116.162 0.410 25818 2551 1 11 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.463 0.132 25818 2552 1 11 . 1 1 35 35 PHE C C 35 174.960 174.960 177.025 -2.065 25818 2553 1 11 . 1 1 35 35 PHE CA C 35 57.734 57.734 59.414 -1.680 25818 2554 1 11 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.595 -0.306 25818 2555 1 11 . 1 1 35 35 PHE H H 35 7.793 7.793 7.726 0.067 25818 2556 1 11 . 1 1 36 36 ILE N N 36 119.136 119.136 116.906 2.230 25818 2557 1 11 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.715 0.393 25818 2558 1 11 . 1 1 36 36 ILE C C 36 174.975 174.975 176.304 -1.329 25818 2559 1 11 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.576 -2.713 25818 2560 1 11 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.264 1.746 25818 2561 1 11 . 1 1 36 36 ILE H H 36 7.686 7.686 8.004 -0.318 25818 2562 1 11 . 1 1 37 37 ALA N N 37 127.555 127.555 123.119 4.436 25818 2563 1 11 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.709 -0.196 25818 2564 1 11 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.160 0.277 25818 2565 1 11 . 1 1 37 37 ALA CB C 37 18.317 18.317 19.285 -0.968 25818 2566 1 11 . 1 1 37 37 ALA H H 37 8.169 8.169 8.235 -0.066 25818 2567 1 11 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.487 -0.102 25818 2568 1 11 . 1 1 38 38 PRO C C 38 176.643 176.643 176.164 0.479 25818 2569 1 11 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.910 0.088 25818 2570 1 11 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.239 -0.390 25818 2571 1 11 . 1 1 39 39 ARG N N 39 121.037 121.037 120.777 0.260 25818 2572 1 11 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.616 -0.339 25818 2573 1 11 . 1 1 39 39 ARG C C 39 176.026 176.026 175.749 0.277 25818 2574 1 11 . 1 1 39 39 ARG CA C 39 55.808 55.808 54.934 0.874 25818 2575 1 11 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.983 0.195 25818 2576 1 11 . 1 1 39 39 ARG H H 39 8.311 8.311 8.267 0.044 25818 2577 1 11 . 1 1 40 40 GLU N N 40 122.834 122.834 122.121 0.713 25818 2578 1 11 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.291 -0.007 25818 2579 1 11 . 1 1 40 40 GLU CA C 40 54.336 54.336 55.517 -1.181 25818 2580 1 11 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.981 -0.375 25818 2581 1 11 . 1 1 40 40 GLU H H 40 8.346 8.346 8.525 -0.179 25818 2582 1 11 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.316 0.016 25818 2583 1 11 . 1 1 41 41 PRO C C 41 177.496 177.496 177.539 -0.043 25818 2584 1 11 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.626 0.167 25818 2585 1 11 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.335 -0.541 25818 2586 1 11 . 1 1 42 42 GLY N N 42 108.890 108.890 106.205 2.685 25818 2587 1 11 . 1 1 42 42 GLY C C 42 173.808 173.808 174.505 -0.697 25818 2588 1 11 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.044 0.189 25818 2589 1 11 . 1 1 42 42 GLY H H 42 8.412 8.412 8.382 0.030 25818 2590 1 11 . 1 1 43 43 ALA N N 43 123.534 123.534 119.372 4.162 25818 2591 1 11 . 1 1 43 43 ALA HA H 43 4.297 4.297 3.996 0.301 25818 2592 1 11 . 1 1 43 43 ALA C C 43 177.567 177.567 177.512 0.055 25818 2593 1 11 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.874 -0.389 25818 2594 1 11 . 1 1 43 43 ALA CB C 43 19.425 19.425 18.094 1.331 25818 2595 1 11 . 1 1 43 43 ALA H H 43 7.929 7.929 8.029 -0.100 25818 2596 1 11 . 1 1 44 44 VAL N N 44 118.351 118.351 118.221 0.130 25818 2597 1 11 . 1 1 44 44 VAL HA H 44 4.118 4.118 3.805 0.313 25818 2598 1 11 . 1 1 44 44 VAL C C 44 175.647 175.647 176.018 -0.371 25818 2599 1 11 . 1 1 44 44 VAL CA C 44 62.060 62.060 63.085 -1.025 25818 2600 1 11 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.216 0.685 25818 2601 1 11 . 1 1 44 44 VAL H H 44 7.985 7.985 7.502 0.483 25818 2602 1 11 . 1 1 45 45 SER N N 45 119.089 119.089 122.628 -3.539 25818 2603 1 11 . 1 1 45 45 SER HA H 45 4.394 4.394 4.216 0.178 25818 2604 1 11 . 1 1 45 45 SER C C 45 172.840 172.840 174.023 -1.183 25818 2605 1 11 . 1 1 45 45 SER CA C 45 57.993 57.993 58.309 -0.316 25818 2606 1 11 . 1 1 45 45 SER CB C 45 64.261 64.261 63.455 0.806 25818 2607 1 11 . 1 1 45 45 SER H H 45 8.081 8.081 8.217 -0.136 25818 2608 1 12 . 1 1 2 2 SER N N 2 115.072 115.072 116.575 -1.503 25818 2609 1 12 . 1 1 2 2 SER HA H 2 4.322 4.322 3.975 0.347 25818 2610 1 12 . 1 1 2 2 SER C C 2 175.102 175.102 176.535 -1.433 25818 2611 1 12 . 1 1 2 2 SER CA C 2 58.862 58.862 61.396 -2.534 25818 2612 1 12 . 1 1 2 2 SER CB C 2 63.783 63.783 63.141 0.642 25818 2613 1 12 . 1 1 2 2 SER H H 2 8.287 8.287 8.666 -0.379 25818 2614 1 12 . 1 1 3 3 LYS N N 3 122.944 122.944 121.585 1.359 25818 2615 1 12 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.022 0.201 25818 2616 1 12 . 1 1 3 3 LYS C C 3 177.259 177.259 178.646 -1.387 25818 2617 1 12 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.478 -1.994 25818 2618 1 12 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.248 -0.018 25818 2619 1 12 . 1 1 3 3 LYS H H 3 8.418 8.418 8.367 0.051 25818 2620 1 12 . 1 1 4 4 GLU N N 4 119.651 119.651 119.948 -0.297 25818 2621 1 12 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.025 0.061 25818 2622 1 12 . 1 1 4 4 GLU C C 4 177.164 177.164 179.236 -2.072 25818 2623 1 12 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.369 -0.495 25818 2624 1 12 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.489 -0.083 25818 2625 1 12 . 1 1 4 4 GLU H H 4 8.583 8.583 8.183 0.400 25818 2626 1 12 . 1 1 5 5 LEU N N 5 119.754 119.754 119.334 0.420 25818 2627 1 12 . 1 1 5 5 LEU HA H 5 4.169 4.169 4.075 0.094 25818 2628 1 12 . 1 1 5 5 LEU C C 5 178.517 178.517 179.406 -0.889 25818 2629 1 12 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.690 -1.054 25818 2630 1 12 . 1 1 5 5 LEU CB C 5 41.930 41.930 40.936 0.994 25818 2631 1 12 . 1 1 5 5 LEU H H 5 8.069 8.069 7.788 0.281 25818 2632 1 12 . 1 1 6 6 GLU N N 6 121.615 121.615 119.914 1.701 25818 2633 1 12 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.052 0.036 25818 2634 1 12 . 1 1 6 6 GLU C C 6 177.306 177.306 179.177 -1.871 25818 2635 1 12 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.453 -0.445 25818 2636 1 12 . 1 1 6 6 GLU H H 6 8.367 8.367 7.887 0.480 25818 2637 1 12 . 1 1 7 7 LEU N N 7 119.398 119.398 120.789 -1.391 25818 2638 1 12 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.209 -0.383 25818 2639 1 12 . 1 1 7 7 LEU H H 7 8.215 8.215 7.830 0.385 25818 2640 1 12 . 1 1 8 8 ILE N N 8 120.843 120.843 118.940 1.903 25818 2641 1 12 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.721 -0.419 25818 2642 1 12 . 1 1 8 8 ILE H H 8 8.518 8.518 7.905 0.613 25818 2643 1 12 . 1 1 9 9 THR N N 9 115.829 115.829 117.209 -1.380 25818 2644 1 12 . 1 1 9 9 THR CA C 9 67.586 67.586 67.127 0.459 25818 2645 1 12 . 1 1 9 9 THR H H 9 7.782 7.782 8.037 -0.255 25818 2646 1 12 . 1 1 10 10 LEU N N 10 119.886 119.886 121.581 -1.695 25818 2647 1 12 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.953 0.001 25818 2648 1 12 . 1 1 10 10 LEU C C 10 177.875 177.875 178.842 -0.967 25818 2649 1 12 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.490 -0.006 25818 2650 1 12 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.751 0.211 25818 2651 1 12 . 1 1 10 10 LEU H H 10 8.086 8.086 8.332 -0.246 25818 2652 1 12 . 1 1 11 11 THR N N 11 114.351 114.351 116.620 -2.269 25818 2653 1 12 . 1 1 11 11 THR HA H 11 4.220 4.220 3.979 0.241 25818 2654 1 12 . 1 1 11 11 THR CA C 11 67.939 67.939 67.112 0.827 25818 2655 1 12 . 1 1 11 11 THR H H 11 8.033 8.033 8.102 -0.069 25818 2656 1 12 . 1 1 12 12 VAL N N 12 120.398 120.398 121.343 -0.945 25818 2657 1 12 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.689 -0.121 25818 2658 1 12 . 1 1 12 12 VAL C C 12 177.733 177.733 178.293 -0.560 25818 2659 1 12 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.338 0.803 25818 2660 1 12 . 1 1 12 12 VAL H H 12 8.263 8.263 8.458 -0.195 25818 2661 1 12 . 1 1 13 13 GLY N N 13 106.524 106.524 108.519 -1.995 25818 2662 1 12 . 1 1 13 13 GLY C C 13 174.414 174.414 175.709 -1.295 25818 2663 1 12 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.182 0.654 25818 2664 1 12 . 1 1 13 13 GLY H H 13 8.563 8.563 8.183 0.380 25818 2665 1 12 . 1 1 14 14 PHE N N 14 120.589 120.589 123.143 -2.554 25818 2666 1 12 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.284 -0.074 25818 2667 1 12 . 1 1 14 14 PHE C C 14 177.591 177.591 177.443 0.148 25818 2668 1 12 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.582 1.120 25818 2669 1 12 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.281 -0.365 25818 2670 1 12 . 1 1 14 14 PHE H H 14 8.678 8.678 8.581 0.097 25818 2671 1 12 . 1 1 15 15 GLY N N 15 106.691 106.691 107.805 -1.114 25818 2672 1 12 . 1 1 15 15 GLY C C 15 174.533 174.533 176.042 -1.509 25818 2673 1 12 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.135 0.572 25818 2674 1 12 . 1 1 15 15 GLY H H 15 8.582 8.582 8.643 -0.061 25818 2675 1 12 . 1 1 16 16 ILE N N 16 120.894 120.894 123.090 -2.196 25818 2676 1 12 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.875 -0.235 25818 2677 1 12 . 1 1 16 16 ILE C C 16 178.658 178.658 177.706 0.952 25818 2678 1 12 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.892 1.538 25818 2679 1 12 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.521 -0.333 25818 2680 1 12 . 1 1 16 16 ILE H H 16 8.599 8.599 7.923 0.676 25818 2681 1 12 . 1 1 17 17 LEU N N 17 123.149 123.149 121.242 1.907 25818 2682 1 12 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.946 0.014 25818 2683 1 12 . 1 1 17 17 LEU C C 17 178.207 178.207 179.119 -0.912 25818 2684 1 12 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.431 0.430 25818 2685 1 12 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.867 -0.255 25818 2686 1 12 . 1 1 17 17 LEU H H 17 8.206 8.206 7.997 0.209 25818 2687 1 12 . 1 1 18 18 ILE N N 18 117.975 117.975 119.112 -1.137 25818 2688 1 12 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.530 0.032 25818 2689 1 12 . 1 1 18 18 ILE C C 18 177.738 177.738 178.153 -0.415 25818 2690 1 12 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.624 -0.055 25818 2691 1 12 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.061 -0.549 25818 2692 1 12 . 1 1 18 18 ILE H H 18 8.455 8.455 7.481 0.974 25818 2693 1 12 . 1 1 19 19 PHE N N 19 119.303 119.303 120.822 -1.519 25818 2694 1 12 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.056 0.013 25818 2695 1 12 . 1 1 19 19 PHE C C 19 177.069 177.069 177.454 -0.385 25818 2696 1 12 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.711 0.240 25818 2697 1 12 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.141 -0.023 25818 2698 1 12 . 1 1 19 19 PHE H H 19 8.609 8.609 7.975 0.634 25818 2699 1 12 . 1 1 20 20 SER N N 20 114.834 114.834 116.494 -1.660 25818 2700 1 12 . 1 1 20 20 SER HA H 20 4.010 4.010 3.951 0.059 25818 2701 1 12 . 1 1 20 20 SER C C 20 176.951 176.951 176.589 0.362 25818 2702 1 12 . 1 1 20 20 SER CA C 20 63.441 63.441 62.297 1.144 25818 2703 1 12 . 1 1 20 20 SER H H 20 8.571 8.571 8.384 0.187 25818 2704 1 12 . 1 1 21 21 LEU N N 21 124.956 124.956 123.422 1.534 25818 2705 1 12 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.014 0.038 25818 2706 1 12 . 1 1 21 21 LEU C C 21 178.041 178.041 178.442 -0.401 25818 2707 1 12 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.165 0.166 25818 2708 1 12 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.064 -0.293 25818 2709 1 12 . 1 1 21 21 LEU H H 21 8.193 8.193 8.311 -0.118 25818 2710 1 12 . 1 1 22 22 ILE N N 22 119.365 119.365 118.974 0.391 25818 2711 1 12 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.573 0.029 25818 2712 1 12 . 1 1 22 22 ILE C C 22 178.539 178.539 177.832 0.707 25818 2713 1 12 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.481 0.482 25818 2714 1 12 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.651 0.212 25818 2715 1 12 . 1 1 22 22 ILE H H 22 8.131 8.131 7.467 0.664 25818 2716 1 12 . 1 1 23 23 VAL N N 23 119.397 119.397 120.051 -0.654 25818 2717 1 12 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.491 -0.149 25818 2718 1 12 . 1 1 23 23 VAL C C 23 177.330 177.330 178.113 -0.783 25818 2719 1 12 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.052 0.631 25818 2720 1 12 . 1 1 23 23 VAL CB C 23 31.371 31.371 30.995 0.376 25818 2721 1 12 . 1 1 23 23 VAL H H 23 8.440 8.440 7.300 1.140 25818 2722 1 12 . 1 1 24 24 THR N N 24 114.854 114.854 116.750 -1.896 25818 2723 1 12 . 1 1 24 24 THR HA H 24 4.172 4.172 3.857 0.315 25818 2724 1 12 . 1 1 24 24 THR C C 24 176.382 176.382 176.307 0.075 25818 2725 1 12 . 1 1 24 24 THR CA C 24 68.010 68.010 67.026 0.984 25818 2726 1 12 . 1 1 24 24 THR H H 24 7.969 7.969 8.345 -0.376 25818 2727 1 12 . 1 1 25 25 TYR N N 25 121.421 121.421 122.966 -1.545 25818 2728 1 12 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.117 -0.107 25818 2729 1 12 . 1 1 25 25 TYR C C 25 177.425 177.425 176.996 0.429 25818 2730 1 12 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.188 0.248 25818 2731 1 12 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.448 0.318 25818 2732 1 12 . 1 1 25 25 TYR H H 25 8.364 8.364 7.729 0.635 25818 2733 1 12 . 1 1 26 26 CYS N N 26 116.170 116.170 118.159 -1.989 25818 2734 1 12 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.019 -0.080 25818 2735 1 12 . 1 1 26 26 CYS C C 26 176.335 176.335 177.048 -0.713 25818 2736 1 12 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.988 -0.745 25818 2737 1 12 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.285 0.185 25818 2738 1 12 . 1 1 26 26 CYS H H 26 8.323 8.323 7.972 0.351 25818 2739 1 12 . 1 1 27 27 ILE N N 27 116.693 116.693 120.928 -4.235 25818 2740 1 12 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.533 0.263 25818 2741 1 12 . 1 1 27 27 ILE C C 27 176.737 176.737 177.676 -0.939 25818 2742 1 12 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.656 -1.550 25818 2743 1 12 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.680 0.195 25818 2744 1 12 . 1 1 27 27 ILE H H 27 8.259 8.259 7.862 0.397 25818 2745 1 12 . 1 1 28 28 ASN N N 28 117.531 117.531 118.309 -0.778 25818 2746 1 12 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.354 0.075 25818 2747 1 12 . 1 1 28 28 ASN C C 28 175.766 175.766 176.479 -0.713 25818 2748 1 12 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.357 -0.505 25818 2749 1 12 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.318 1.446 25818 2750 1 12 . 1 1 28 28 ASN H H 28 7.853 7.853 8.031 -0.178 25818 2751 1 12 . 1 1 29 29 ALA N N 29 120.505 120.505 121.200 -0.695 25818 2752 1 12 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.186 -0.068 25818 2753 1 12 . 1 1 29 29 ALA C C 29 177.638 177.638 179.690 -2.052 25818 2754 1 12 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.270 -0.967 25818 2755 1 12 . 1 1 29 29 ALA CB C 29 18.985 18.985 19.127 -0.142 25818 2756 1 12 . 1 1 29 29 ALA H H 29 8.050 8.050 7.668 0.382 25818 2757 1 12 . 1 1 30 30 LYS N N 30 116.476 116.476 119.169 -2.693 25818 2758 1 12 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.978 0.349 25818 2759 1 12 . 1 1 30 30 LYS C C 30 176.192 176.192 178.754 -2.562 25818 2760 1 12 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.072 -3.579 25818 2761 1 12 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.269 -0.438 25818 2762 1 12 . 1 1 30 30 LYS H H 30 7.771 7.771 7.934 -0.163 25818 2763 1 12 . 1 1 31 31 ALA N N 31 122.457 122.457 121.831 0.626 25818 2764 1 12 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.124 0.005 25818 2765 1 12 . 1 1 31 31 ALA C C 31 177.401 177.401 178.769 -1.368 25818 2766 1 12 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.333 -0.595 25818 2767 1 12 . 1 1 31 31 ALA CB C 31 19.262 19.262 17.999 1.263 25818 2768 1 12 . 1 1 31 31 ALA H H 31 7.924 7.924 7.887 0.037 25818 2769 1 12 . 1 1 32 32 ASP N N 32 116.883 116.883 119.622 -2.739 25818 2770 1 12 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.573 -0.148 25818 2771 1 12 . 1 1 32 32 ASP C C 32 176.690 176.690 178.310 -1.620 25818 2772 1 12 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.435 -2.132 25818 2773 1 12 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.406 -0.186 25818 2774 1 12 . 1 1 32 32 ASP H H 32 8.401 8.401 8.312 0.089 25818 2775 1 12 . 1 1 33 33 VAL N N 33 116.175 116.175 119.368 -3.193 25818 2776 1 12 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.788 0.294 25818 2777 1 12 . 1 1 33 33 VAL C C 33 175.552 175.552 177.594 -2.042 25818 2778 1 12 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.768 -3.007 25818 2779 1 12 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.653 0.753 25818 2780 1 12 . 1 1 33 33 VAL H H 33 7.665 7.665 7.635 0.030 25818 2781 1 12 . 1 1 34 34 LEU N N 34 120.012 120.012 119.335 0.677 25818 2782 1 12 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.071 0.069 25818 2783 1 12 . 1 1 34 34 LEU C C 34 176.382 176.382 178.472 -2.090 25818 2784 1 12 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.737 -1.073 25818 2785 1 12 . 1 1 34 34 LEU CB C 34 42.486 42.486 41.046 1.440 25818 2786 1 12 . 1 1 34 34 LEU H H 34 7.795 7.795 7.429 0.366 25818 2787 1 12 . 1 1 35 35 PHE N N 35 116.572 116.572 115.949 0.623 25818 2788 1 12 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.310 0.285 25818 2789 1 12 . 1 1 35 35 PHE C C 35 174.960 174.960 176.935 -1.975 25818 2790 1 12 . 1 1 35 35 PHE CA C 35 57.734 57.734 61.219 -3.485 25818 2791 1 12 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.132 0.157 25818 2792 1 12 . 1 1 35 35 PHE H H 35 7.793 7.793 7.524 0.269 25818 2793 1 12 . 1 1 36 36 ILE N N 36 119.136 119.136 117.990 1.146 25818 2794 1 12 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.042 0.066 25818 2795 1 12 . 1 1 36 36 ILE C C 36 174.975 174.975 176.413 -1.438 25818 2796 1 12 . 1 1 36 36 ILE CA C 36 60.863 60.863 62.311 -1.448 25818 2797 1 12 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.639 0.371 25818 2798 1 12 . 1 1 36 36 ILE H H 36 7.686 7.686 7.512 0.174 25818 2799 1 12 . 1 1 37 37 ALA N N 37 127.555 127.555 122.693 4.862 25818 2800 1 12 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.312 0.201 25818 2801 1 12 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.600 -0.163 25818 2802 1 12 . 1 1 37 37 ALA CB C 37 18.317 18.317 17.828 0.489 25818 2803 1 12 . 1 1 37 37 ALA H H 37 8.169 8.169 7.577 0.592 25818 2804 1 12 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.224 0.161 25818 2805 1 12 . 1 1 38 38 PRO C C 38 176.643 176.643 176.096 0.547 25818 2806 1 12 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.638 -0.639 25818 2807 1 12 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.003 -0.154 25818 2808 1 12 . 1 1 39 39 ARG N N 39 121.037 121.037 121.975 -0.938 25818 2809 1 12 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.450 -0.173 25818 2810 1 12 . 1 1 39 39 ARG C C 39 176.026 176.026 175.622 0.404 25818 2811 1 12 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.688 0.120 25818 2812 1 12 . 1 1 39 39 ARG CB C 39 31.178 31.178 31.269 -0.091 25818 2813 1 12 . 1 1 39 39 ARG H H 39 8.311 8.311 8.357 -0.046 25818 2814 1 12 . 1 1 40 40 GLU N N 40 122.834 122.834 124.142 -1.308 25818 2815 1 12 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.663 -0.379 25818 2816 1 12 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.496 0.840 25818 2817 1 12 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.806 -0.200 25818 2818 1 12 . 1 1 40 40 GLU H H 40 8.346 8.346 8.393 -0.047 25818 2819 1 12 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.366 -0.034 25818 2820 1 12 . 1 1 41 41 PRO C C 41 177.496 177.496 177.002 0.494 25818 2821 1 12 . 1 1 41 41 PRO CA C 41 63.793 63.793 62.994 0.799 25818 2822 1 12 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.924 -0.130 25818 2823 1 12 . 1 1 42 42 GLY N N 42 108.890 108.890 107.713 1.177 25818 2824 1 12 . 1 1 42 42 GLY C C 42 173.808 173.808 174.361 -0.553 25818 2825 1 12 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.010 0.223 25818 2826 1 12 . 1 1 42 42 GLY H H 42 8.412 8.412 8.162 0.250 25818 2827 1 12 . 1 1 43 43 ALA N N 43 123.534 123.534 119.886 3.648 25818 2828 1 12 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.001 0.296 25818 2829 1 12 . 1 1 43 43 ALA C C 43 177.567 177.567 176.963 0.604 25818 2830 1 12 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.662 -0.176 25818 2831 1 12 . 1 1 43 43 ALA CB C 43 19.425 19.425 17.959 1.466 25818 2832 1 12 . 1 1 43 43 ALA H H 43 7.929 7.929 7.917 0.012 25818 2833 1 12 . 1 1 44 44 VAL N N 44 118.351 118.351 119.232 -0.881 25818 2834 1 12 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.025 0.093 25818 2835 1 12 . 1 1 44 44 VAL C C 44 175.647 175.647 175.989 -0.342 25818 2836 1 12 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.854 -0.794 25818 2837 1 12 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.029 1.871 25818 2838 1 12 . 1 1 44 44 VAL H H 44 7.985 7.985 7.826 0.159 25818 2839 1 12 . 1 1 45 45 SER N N 45 119.089 119.089 122.239 -3.150 25818 2840 1 12 . 1 1 45 45 SER HA H 45 4.394 4.394 4.794 -0.400 25818 2841 1 12 . 1 1 45 45 SER C C 45 172.840 172.840 173.437 -0.597 25818 2842 1 12 . 1 1 45 45 SER CA C 45 57.993 57.993 57.971 0.022 25818 2843 1 12 . 1 1 45 45 SER CB C 45 64.261 64.261 64.338 -0.077 25818 2844 1 12 . 1 1 45 45 SER H H 45 8.081 8.081 8.340 -0.259 25818 2845 1 13 . 1 1 2 2 SER N N 2 115.072 115.072 115.619 -0.547 25818 2846 1 13 . 1 1 2 2 SER HA H 2 4.322 4.322 4.189 0.133 25818 2847 1 13 . 1 1 2 2 SER C C 2 175.102 175.102 176.055 -0.953 25818 2848 1 13 . 1 1 2 2 SER CA C 2 58.862 58.862 60.186 -1.324 25818 2849 1 13 . 1 1 2 2 SER CB C 2 63.783 63.783 62.836 0.948 25818 2850 1 13 . 1 1 2 2 SER H H 2 8.287 8.287 8.552 -0.265 25818 2851 1 13 . 1 1 3 3 LYS N N 3 122.944 122.944 119.647 3.297 25818 2852 1 13 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.025 0.198 25818 2853 1 13 . 1 1 3 3 LYS C C 3 177.259 177.259 178.601 -1.342 25818 2854 1 13 . 1 1 3 3 LYS CA C 3 57.484 57.484 58.975 -1.491 25818 2855 1 13 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.098 0.132 25818 2856 1 13 . 1 1 3 3 LYS H H 3 8.418 8.418 8.277 0.141 25818 2857 1 13 . 1 1 4 4 GLU N N 4 119.651 119.651 119.303 0.348 25818 2858 1 13 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.104 -0.018 25818 2859 1 13 . 1 1 4 4 GLU C C 4 177.164 177.164 178.901 -1.737 25818 2860 1 13 . 1 1 4 4 GLU CA C 4 58.874 58.874 58.766 0.108 25818 2861 1 13 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.021 0.386 25818 2862 1 13 . 1 1 4 4 GLU H H 4 8.583 8.583 7.783 0.800 25818 2863 1 13 . 1 1 5 5 LEU N N 5 119.754 119.754 120.876 -1.122 25818 2864 1 13 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.964 0.205 25818 2865 1 13 . 1 1 5 5 LEU C C 5 178.517 178.517 179.134 -0.617 25818 2866 1 13 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.858 -1.222 25818 2867 1 13 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.696 0.234 25818 2868 1 13 . 1 1 5 5 LEU H H 5 8.069 8.069 8.011 0.058 25818 2869 1 13 . 1 1 6 6 GLU N N 6 121.615 121.615 120.324 1.291 25818 2870 1 13 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.042 0.046 25818 2871 1 13 . 1 1 6 6 GLU C C 6 177.306 177.306 178.936 -1.630 25818 2872 1 13 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.599 -0.591 25818 2873 1 13 . 1 1 6 6 GLU H H 6 8.367 8.367 8.209 0.158 25818 2874 1 13 . 1 1 7 7 LEU N N 7 119.398 119.398 121.134 -1.736 25818 2875 1 13 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.117 -0.291 25818 2876 1 13 . 1 1 7 7 LEU H H 7 8.215 8.215 7.645 0.570 25818 2877 1 13 . 1 1 8 8 ILE N N 8 120.843 120.843 118.967 1.876 25818 2878 1 13 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.677 -0.374 25818 2879 1 13 . 1 1 8 8 ILE H H 8 8.518 8.518 8.170 0.348 25818 2880 1 13 . 1 1 9 9 THR N N 9 115.829 115.829 117.225 -1.396 25818 2881 1 13 . 1 1 9 9 THR CA C 9 67.586 67.586 66.974 0.612 25818 2882 1 13 . 1 1 9 9 THR H H 9 7.782 7.782 7.748 0.034 25818 2883 1 13 . 1 1 10 10 LEU N N 10 119.886 119.886 121.886 -2.000 25818 2884 1 13 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.043 -0.089 25818 2885 1 13 . 1 1 10 10 LEU C C 10 177.875 177.875 178.379 -0.504 25818 2886 1 13 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.578 -0.094 25818 2887 1 13 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.931 0.031 25818 2888 1 13 . 1 1 10 10 LEU H H 10 8.086 8.086 8.042 0.044 25818 2889 1 13 . 1 1 11 11 THR N N 11 114.351 114.351 116.359 -2.008 25818 2890 1 13 . 1 1 11 11 THR HA H 11 4.220 4.220 4.081 0.139 25818 2891 1 13 . 1 1 11 11 THR CA C 11 67.939 67.939 67.158 0.781 25818 2892 1 13 . 1 1 11 11 THR H H 11 8.033 8.033 7.806 0.227 25818 2893 1 13 . 1 1 12 12 VAL N N 12 120.398 120.398 121.131 -0.733 25818 2894 1 13 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.759 -0.191 25818 2895 1 13 . 1 1 12 12 VAL C C 12 177.733 177.733 178.293 -0.560 25818 2896 1 13 . 1 1 12 12 VAL CA C 12 67.141 67.141 65.945 1.196 25818 2897 1 13 . 1 1 12 12 VAL H H 12 8.263 8.263 8.230 0.033 25818 2898 1 13 . 1 1 13 13 GLY N N 13 106.524 106.524 108.394 -1.870 25818 2899 1 13 . 1 1 13 13 GLY C C 13 174.414 174.414 175.836 -1.422 25818 2900 1 13 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.162 0.674 25818 2901 1 13 . 1 1 13 13 GLY H H 13 8.563 8.563 7.878 0.685 25818 2902 1 13 . 1 1 14 14 PHE N N 14 120.589 120.589 123.089 -2.500 25818 2903 1 13 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.378 -0.168 25818 2904 1 13 . 1 1 14 14 PHE C C 14 177.591 177.591 177.359 0.232 25818 2905 1 13 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.731 1.970 25818 2906 1 13 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.241 -0.325 25818 2907 1 13 . 1 1 14 14 PHE H H 14 8.678 8.678 8.364 0.314 25818 2908 1 13 . 1 1 15 15 GLY N N 15 106.691 106.691 107.859 -1.168 25818 2909 1 13 . 1 1 15 15 GLY C C 15 174.533 174.533 175.893 -1.360 25818 2910 1 13 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.136 0.571 25818 2911 1 13 . 1 1 15 15 GLY H H 15 8.582 8.582 8.520 0.062 25818 2912 1 13 . 1 1 16 16 ILE N N 16 120.894 120.894 122.851 -1.957 25818 2913 1 13 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.802 -0.162 25818 2914 1 13 . 1 1 16 16 ILE C C 16 178.658 178.658 177.432 1.226 25818 2915 1 13 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.401 1.029 25818 2916 1 13 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.101 -0.913 25818 2917 1 13 . 1 1 16 16 ILE H H 16 8.599 8.599 7.712 0.887 25818 2918 1 13 . 1 1 17 17 LEU N N 17 123.149 123.149 122.213 0.936 25818 2919 1 13 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.009 -0.049 25818 2920 1 13 . 1 1 17 17 LEU C C 17 178.207 178.207 179.322 -1.115 25818 2921 1 13 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.134 0.727 25818 2922 1 13 . 1 1 17 17 LEU CB C 17 41.613 41.613 42.122 -0.509 25818 2923 1 13 . 1 1 17 17 LEU H H 17 8.206 8.206 7.799 0.407 25818 2924 1 13 . 1 1 18 18 ILE N N 18 117.975 117.975 119.050 -1.075 25818 2925 1 13 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.456 0.106 25818 2926 1 13 . 1 1 18 18 ILE C C 18 177.738 177.738 177.880 -0.142 25818 2927 1 13 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.180 -0.611 25818 2928 1 13 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.656 -1.144 25818 2929 1 13 . 1 1 18 18 ILE H H 18 8.455 8.455 7.354 1.101 25818 2930 1 13 . 1 1 19 19 PHE N N 19 119.303 119.303 120.405 -1.102 25818 2931 1 13 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.042 0.027 25818 2932 1 13 . 1 1 19 19 PHE C C 19 177.069 177.069 177.011 0.058 25818 2933 1 13 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.058 -0.107 25818 2934 1 13 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.187 -0.069 25818 2935 1 13 . 1 1 19 19 PHE H H 19 8.609 8.609 7.708 0.901 25818 2936 1 13 . 1 1 20 20 SER N N 20 114.834 114.834 115.915 -1.081 25818 2937 1 13 . 1 1 20 20 SER HA H 20 4.010 4.010 4.230 -0.220 25818 2938 1 13 . 1 1 20 20 SER C C 20 176.951 176.951 176.555 0.396 25818 2939 1 13 . 1 1 20 20 SER CA C 20 63.441 63.441 61.627 1.815 25818 2940 1 13 . 1 1 20 20 SER H H 20 8.571 8.571 8.631 -0.060 25818 2941 1 13 . 1 1 21 21 LEU N N 21 124.956 124.956 123.503 1.453 25818 2942 1 13 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.073 -0.021 25818 2943 1 13 . 1 1 21 21 LEU C C 21 178.041 178.041 178.382 -0.341 25818 2944 1 13 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.245 0.086 25818 2945 1 13 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.967 -0.196 25818 2946 1 13 . 1 1 21 21 LEU H H 21 8.193 8.193 8.121 0.072 25818 2947 1 13 . 1 1 22 22 ILE N N 22 119.365 119.365 119.005 0.360 25818 2948 1 13 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.582 0.020 25818 2949 1 13 . 1 1 22 22 ILE C C 22 178.539 178.539 177.877 0.662 25818 2950 1 13 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.591 0.372 25818 2951 1 13 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.690 0.174 25818 2952 1 13 . 1 1 22 22 ILE H H 22 8.131 8.131 7.652 0.479 25818 2953 1 13 . 1 1 23 23 VAL N N 23 119.397 119.397 120.624 -1.227 25818 2954 1 13 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.530 -0.188 25818 2955 1 13 . 1 1 23 23 VAL C C 23 177.330 177.330 177.876 -0.546 25818 2956 1 13 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.526 0.157 25818 2957 1 13 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.744 -0.372 25818 2958 1 13 . 1 1 23 23 VAL H H 23 8.440 8.440 7.533 0.907 25818 2959 1 13 . 1 1 24 24 THR N N 24 114.854 114.854 116.890 -2.036 25818 2960 1 13 . 1 1 24 24 THR HA H 24 4.172 4.172 3.904 0.268 25818 2961 1 13 . 1 1 24 24 THR C C 24 176.382 176.382 176.196 0.186 25818 2962 1 13 . 1 1 24 24 THR CA C 24 68.010 68.010 67.174 0.836 25818 2963 1 13 . 1 1 24 24 THR H H 24 7.969 7.969 8.147 -0.178 25818 2964 1 13 . 1 1 25 25 TYR N N 25 121.421 121.421 123.278 -1.857 25818 2965 1 13 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.101 -0.091 25818 2966 1 13 . 1 1 25 25 TYR C C 25 177.425 177.425 177.261 0.164 25818 2967 1 13 . 1 1 25 25 TYR CA C 25 62.436 62.436 61.983 0.453 25818 2968 1 13 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.498 0.268 25818 2969 1 13 . 1 1 25 25 TYR H H 25 8.364 8.364 8.024 0.340 25818 2970 1 13 . 1 1 26 26 CYS N N 26 116.170 116.170 117.799 -1.629 25818 2971 1 13 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.038 -0.099 25818 2972 1 13 . 1 1 26 26 CYS C C 26 176.335 176.335 177.301 -0.966 25818 2973 1 13 . 1 1 26 26 CYS CA C 26 64.243 64.243 63.318 0.925 25818 2974 1 13 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.302 1.167 25818 2975 1 13 . 1 1 26 26 CYS H H 26 8.323 8.323 8.301 0.022 25818 2976 1 13 . 1 1 27 27 ILE N N 27 116.693 116.693 121.450 -4.757 25818 2977 1 13 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.566 0.230 25818 2978 1 13 . 1 1 27 27 ILE C C 27 176.737 176.737 177.978 -1.241 25818 2979 1 13 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.331 -1.224 25818 2980 1 13 . 1 1 27 27 ILE CB C 27 37.875 37.875 36.970 0.905 25818 2981 1 13 . 1 1 27 27 ILE H H 27 8.259 8.259 7.819 0.440 25818 2982 1 13 . 1 1 28 28 ASN N N 28 117.531 117.531 117.893 -0.362 25818 2983 1 13 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.226 0.203 25818 2984 1 13 . 1 1 28 28 ASN C C 28 175.766 175.766 177.561 -1.795 25818 2985 1 13 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.498 -0.645 25818 2986 1 13 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.438 1.327 25818 2987 1 13 . 1 1 28 28 ASN H H 28 7.853 7.853 8.017 -0.164 25818 2988 1 13 . 1 1 29 29 ALA N N 29 120.505 120.505 123.479 -2.974 25818 2989 1 13 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.853 0.265 25818 2990 1 13 . 1 1 29 29 ALA C C 29 177.638 177.638 179.061 -1.423 25818 2991 1 13 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.886 -1.583 25818 2992 1 13 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.291 0.694 25818 2993 1 13 . 1 1 29 29 ALA H H 29 8.050 8.050 7.737 0.313 25818 2994 1 13 . 1 1 30 30 LYS N N 30 116.476 116.476 118.258 -1.782 25818 2995 1 13 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.922 0.405 25818 2996 1 13 . 1 1 30 30 LYS C C 30 176.192 176.192 178.920 -2.728 25818 2997 1 13 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.278 -3.785 25818 2998 1 13 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.243 -0.412 25818 2999 1 13 . 1 1 30 30 LYS H H 30 7.771 7.771 7.954 -0.183 25818 3000 1 13 . 1 1 31 31 ALA N N 31 122.457 122.457 120.659 1.798 25818 3001 1 13 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.296 -0.167 25818 3002 1 13 . 1 1 31 31 ALA C C 31 177.401 177.401 179.362 -1.961 25818 3003 1 13 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.993 -1.255 25818 3004 1 13 . 1 1 31 31 ALA CB C 31 19.262 19.262 18.463 0.799 25818 3005 1 13 . 1 1 31 31 ALA H H 31 7.924 7.924 7.845 0.079 25818 3006 1 13 . 1 1 32 32 ASP N N 32 116.883 116.883 118.433 -1.550 25818 3007 1 13 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.596 -0.171 25818 3008 1 13 . 1 1 32 32 ASP C C 32 176.690 176.690 177.845 -1.155 25818 3009 1 13 . 1 1 32 32 ASP CA C 32 55.303 55.303 56.310 -1.007 25818 3010 1 13 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.509 -0.289 25818 3011 1 13 . 1 1 32 32 ASP H H 32 8.401 8.401 7.954 0.447 25818 3012 1 13 . 1 1 33 33 VAL N N 33 116.175 116.175 119.619 -3.444 25818 3013 1 13 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.930 0.152 25818 3014 1 13 . 1 1 33 33 VAL C C 33 175.552 175.552 176.748 -1.196 25818 3015 1 13 . 1 1 33 33 VAL CA C 33 62.761 62.761 64.991 -2.230 25818 3016 1 13 . 1 1 33 33 VAL CB C 33 32.406 32.406 32.447 -0.041 25818 3017 1 13 . 1 1 33 33 VAL H H 33 7.665 7.665 7.479 0.186 25818 3018 1 13 . 1 1 34 34 LEU N N 34 120.012 120.012 119.134 0.878 25818 3019 1 13 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.330 -0.190 25818 3020 1 13 . 1 1 34 34 LEU C C 34 176.382 176.382 177.771 -1.389 25818 3021 1 13 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.793 -1.129 25818 3022 1 13 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.960 -0.474 25818 3023 1 13 . 1 1 34 34 LEU H H 34 7.795 7.795 7.609 0.186 25818 3024 1 13 . 1 1 35 35 PHE N N 35 116.572 116.572 117.199 -0.627 25818 3025 1 13 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.415 0.180 25818 3026 1 13 . 1 1 35 35 PHE C C 35 174.960 174.960 176.874 -1.914 25818 3027 1 13 . 1 1 35 35 PHE CA C 35 57.734 57.734 58.465 -0.731 25818 3028 1 13 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.133 1.156 25818 3029 1 13 . 1 1 35 35 PHE H H 35 7.793 7.793 7.837 -0.044 25818 3030 1 13 . 1 1 36 36 ILE N N 36 119.136 119.136 119.373 -0.237 25818 3031 1 13 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.822 0.286 25818 3032 1 13 . 1 1 36 36 ILE C C 36 174.975 174.975 176.902 -1.927 25818 3033 1 13 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.753 -2.890 25818 3034 1 13 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.928 1.082 25818 3035 1 13 . 1 1 36 36 ILE H H 36 7.686 7.686 7.612 0.074 25818 3036 1 13 . 1 1 37 37 ALA N N 37 127.555 127.555 121.242 6.313 25818 3037 1 13 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.324 0.189 25818 3038 1 13 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.637 -0.200 25818 3039 1 13 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.136 0.181 25818 3040 1 13 . 1 1 37 37 ALA H H 37 8.169 8.169 8.082 0.087 25818 3041 1 13 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.447 -0.062 25818 3042 1 13 . 1 1 38 38 PRO C C 38 176.643 176.643 176.237 0.406 25818 3043 1 13 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.483 0.515 25818 3044 1 13 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.493 -0.644 25818 3045 1 13 . 1 1 39 39 ARG N N 39 121.037 121.037 120.437 0.600 25818 3046 1 13 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.294 -0.017 25818 3047 1 13 . 1 1 39 39 ARG C C 39 176.026 176.026 176.371 -0.345 25818 3048 1 13 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.532 -0.724 25818 3049 1 13 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.026 1.152 25818 3050 1 13 . 1 1 39 39 ARG H H 39 8.311 8.311 8.404 -0.093 25818 3051 1 13 . 1 1 40 40 GLU N N 40 122.834 122.834 126.388 -3.554 25818 3052 1 13 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.764 -0.480 25818 3053 1 13 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.171 1.165 25818 3054 1 13 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.274 0.332 25818 3055 1 13 . 1 1 40 40 GLU H H 40 8.346 8.346 8.522 -0.176 25818 3056 1 13 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.242 0.090 25818 3057 1 13 . 1 1 41 41 PRO C C 41 177.496 177.496 177.895 -0.399 25818 3058 1 13 . 1 1 41 41 PRO CA C 41 63.793 63.793 64.460 -0.667 25818 3059 1 13 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.469 0.325 25818 3060 1 13 . 1 1 42 42 GLY N N 42 108.890 108.890 112.063 -3.173 25818 3061 1 13 . 1 1 42 42 GLY C C 42 173.808 173.808 174.865 -1.057 25818 3062 1 13 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.610 -0.377 25818 3063 1 13 . 1 1 42 42 GLY H H 42 8.412 8.412 8.633 -0.221 25818 3064 1 13 . 1 1 43 43 ALA N N 43 123.534 123.534 124.808 -1.274 25818 3065 1 13 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.176 0.121 25818 3066 1 13 . 1 1 43 43 ALA C C 43 177.567 177.567 178.288 -0.721 25818 3067 1 13 . 1 1 43 43 ALA CA C 43 52.486 52.486 53.193 -0.707 25818 3068 1 13 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.140 0.285 25818 3069 1 13 . 1 1 43 43 ALA H H 43 7.929 7.929 7.648 0.281 25818 3070 1 13 . 1 1 44 44 VAL N N 44 118.351 118.351 119.805 -1.454 25818 3071 1 13 . 1 1 44 44 VAL HA H 44 4.118 4.118 3.901 0.217 25818 3072 1 13 . 1 1 44 44 VAL C C 44 175.647 175.647 175.597 0.050 25818 3073 1 13 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.263 -0.203 25818 3074 1 13 . 1 1 44 44 VAL CB C 44 32.901 32.901 30.838 2.063 25818 3075 1 13 . 1 1 44 44 VAL H H 44 7.985 7.985 7.861 0.124 25818 3076 1 13 . 1 1 45 45 SER N N 45 119.089 119.089 123.206 -4.117 25818 3077 1 13 . 1 1 45 45 SER HA H 45 4.394 4.394 3.842 0.552 25818 3078 1 13 . 1 1 45 45 SER C C 45 172.840 172.840 174.578 -1.738 25818 3079 1 13 . 1 1 45 45 SER CA C 45 57.993 57.993 58.124 -0.131 25818 3080 1 13 . 1 1 45 45 SER CB C 45 64.261 64.261 63.692 0.569 25818 3081 1 13 . 1 1 45 45 SER H H 45 8.081 8.081 8.115 -0.034 25818 3082 1 14 . 1 1 2 2 SER N N 2 115.072 115.072 115.550 -0.478 25818 3083 1 14 . 1 1 2 2 SER HA H 2 4.322 4.322 4.114 0.208 25818 3084 1 14 . 1 1 2 2 SER C C 2 175.102 175.102 175.347 -0.245 25818 3085 1 14 . 1 1 2 2 SER CA C 2 58.862 58.862 58.932 -0.070 25818 3086 1 14 . 1 1 2 2 SER CB C 2 63.783 63.783 62.910 0.873 25818 3087 1 14 . 1 1 2 2 SER H H 2 8.287 8.287 8.538 -0.251 25818 3088 1 14 . 1 1 3 3 LYS N N 3 122.944 122.944 121.811 1.133 25818 3089 1 14 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.005 0.218 25818 3090 1 14 . 1 1 3 3 LYS C C 3 177.259 177.259 178.288 -1.029 25818 3091 1 14 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.115 -1.631 25818 3092 1 14 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.434 -0.204 25818 3093 1 14 . 1 1 3 3 LYS H H 3 8.418 8.418 8.508 -0.090 25818 3094 1 14 . 1 1 4 4 GLU N N 4 119.651 119.651 119.163 0.488 25818 3095 1 14 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.071 0.015 25818 3096 1 14 . 1 1 4 4 GLU C C 4 177.164 177.164 178.700 -1.536 25818 3097 1 14 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.410 -0.536 25818 3098 1 14 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.157 0.250 25818 3099 1 14 . 1 1 4 4 GLU H H 4 8.583 8.583 8.667 -0.084 25818 3100 1 14 . 1 1 5 5 LEU N N 5 119.754 119.754 120.119 -0.365 25818 3101 1 14 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.987 0.181 25818 3102 1 14 . 1 1 5 5 LEU C C 5 178.517 178.517 179.203 -0.686 25818 3103 1 14 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.900 -1.264 25818 3104 1 14 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.591 0.339 25818 3105 1 14 . 1 1 5 5 LEU H H 5 8.069 8.069 7.992 0.077 25818 3106 1 14 . 1 1 6 6 GLU N N 6 121.615 121.615 119.675 1.940 25818 3107 1 14 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.003 0.085 25818 3108 1 14 . 1 1 6 6 GLU C C 6 177.306 177.306 179.087 -1.781 25818 3109 1 14 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.300 -0.292 25818 3110 1 14 . 1 1 6 6 GLU H H 6 8.367 8.367 8.076 0.291 25818 3111 1 14 . 1 1 7 7 LEU N N 7 119.398 119.398 121.277 -1.879 25818 3112 1 14 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.230 -0.404 25818 3113 1 14 . 1 1 7 7 LEU H H 7 8.215 8.215 8.103 0.112 25818 3114 1 14 . 1 1 8 8 ILE N N 8 120.843 120.843 118.677 2.166 25818 3115 1 14 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.392 -0.090 25818 3116 1 14 . 1 1 8 8 ILE H H 8 8.518 8.518 8.255 0.263 25818 3117 1 14 . 1 1 9 9 THR N N 9 115.829 115.829 117.180 -1.351 25818 3118 1 14 . 1 1 9 9 THR CA C 9 67.586 67.586 67.255 0.331 25818 3119 1 14 . 1 1 9 9 THR H H 9 7.782 7.782 7.721 0.061 25818 3120 1 14 . 1 1 10 10 LEU N N 10 119.886 119.886 121.981 -2.095 25818 3121 1 14 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.040 -0.086 25818 3122 1 14 . 1 1 10 10 LEU C C 10 177.875 177.875 178.943 -1.068 25818 3123 1 14 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.571 -0.087 25818 3124 1 14 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.559 0.403 25818 3125 1 14 . 1 1 10 10 LEU H H 10 8.086 8.086 8.074 0.012 25818 3126 1 14 . 1 1 11 11 THR N N 11 114.351 114.351 116.371 -2.020 25818 3127 1 14 . 1 1 11 11 THR HA H 11 4.220 4.220 4.010 0.210 25818 3128 1 14 . 1 1 11 11 THR CA C 11 67.939 67.939 67.354 0.585 25818 3129 1 14 . 1 1 11 11 THR H H 11 8.033 8.033 7.737 0.296 25818 3130 1 14 . 1 1 12 12 VAL N N 12 120.398 120.398 120.623 -0.225 25818 3131 1 14 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.793 -0.225 25818 3132 1 14 . 1 1 12 12 VAL C C 12 177.733 177.733 178.299 -0.566 25818 3133 1 14 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.186 0.955 25818 3134 1 14 . 1 1 12 12 VAL H H 12 8.263 8.263 8.141 0.122 25818 3135 1 14 . 1 1 13 13 GLY N N 13 106.524 106.524 108.743 -2.219 25818 3136 1 14 . 1 1 13 13 GLY C C 13 174.414 174.414 175.750 -1.336 25818 3137 1 14 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.106 0.730 25818 3138 1 14 . 1 1 13 13 GLY H H 13 8.563 8.563 8.129 0.434 25818 3139 1 14 . 1 1 14 14 PHE N N 14 120.589 120.589 122.904 -2.315 25818 3140 1 14 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.399 -0.189 25818 3141 1 14 . 1 1 14 14 PHE C C 14 177.591 177.591 177.222 0.369 25818 3142 1 14 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.208 1.494 25818 3143 1 14 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.442 -0.526 25818 3144 1 14 . 1 1 14 14 PHE H H 14 8.678 8.678 8.801 -0.123 25818 3145 1 14 . 1 1 15 15 GLY N N 15 106.691 106.691 108.023 -1.332 25818 3146 1 14 . 1 1 15 15 GLY C C 15 174.533 174.533 176.043 -1.510 25818 3147 1 14 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.201 0.506 25818 3148 1 14 . 1 1 15 15 GLY H H 15 8.582 8.582 8.665 -0.083 25818 3149 1 14 . 1 1 16 16 ILE N N 16 120.894 120.894 122.659 -1.765 25818 3150 1 14 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.950 -0.310 25818 3151 1 14 . 1 1 16 16 ILE C C 16 178.658 178.658 177.654 1.004 25818 3152 1 14 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.643 1.787 25818 3153 1 14 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.573 -0.385 25818 3154 1 14 . 1 1 16 16 ILE H H 16 8.599 8.599 7.790 0.809 25818 3155 1 14 . 1 1 17 17 LEU N N 17 123.149 123.149 121.970 1.179 25818 3156 1 14 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.995 -0.035 25818 3157 1 14 . 1 1 17 17 LEU C C 17 178.207 178.207 179.472 -1.265 25818 3158 1 14 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.099 0.763 25818 3159 1 14 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.992 -0.380 25818 3160 1 14 . 1 1 17 17 LEU H H 17 8.206 8.206 7.571 0.635 25818 3161 1 14 . 1 1 18 18 ILE N N 18 117.975 117.975 119.103 -1.128 25818 3162 1 14 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.543 0.019 25818 3163 1 14 . 1 1 18 18 ILE C C 18 177.738 177.738 178.053 -0.315 25818 3164 1 14 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.415 0.154 25818 3165 1 14 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.948 -0.436 25818 3166 1 14 . 1 1 18 18 ILE H H 18 8.455 8.455 7.460 0.995 25818 3167 1 14 . 1 1 19 19 PHE N N 19 119.303 119.303 120.713 -1.410 25818 3168 1 14 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.054 0.015 25818 3169 1 14 . 1 1 19 19 PHE C C 19 177.069 177.069 177.169 -0.100 25818 3170 1 14 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.591 0.360 25818 3171 1 14 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.090 0.028 25818 3172 1 14 . 1 1 19 19 PHE H H 19 8.609 8.609 7.854 0.755 25818 3173 1 14 . 1 1 20 20 SER N N 20 114.834 114.834 115.973 -1.139 25818 3174 1 14 . 1 1 20 20 SER HA H 20 4.010 4.010 3.545 0.465 25818 3175 1 14 . 1 1 20 20 SER C C 20 176.951 176.951 176.468 0.483 25818 3176 1 14 . 1 1 20 20 SER CA C 20 63.441 63.441 61.387 2.054 25818 3177 1 14 . 1 1 20 20 SER H H 20 8.571 8.571 8.220 0.351 25818 3178 1 14 . 1 1 21 21 LEU N N 21 124.956 124.956 123.895 1.061 25818 3179 1 14 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.928 0.124 25818 3180 1 14 . 1 1 21 21 LEU C C 21 178.041 178.041 178.602 -0.561 25818 3181 1 14 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.231 0.100 25818 3182 1 14 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.025 -0.254 25818 3183 1 14 . 1 1 21 21 LEU H H 21 8.193 8.193 8.142 0.051 25818 3184 1 14 . 1 1 22 22 ILE N N 22 119.365 119.365 118.263 1.102 25818 3185 1 14 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.611 -0.009 25818 3186 1 14 . 1 1 22 22 ILE C C 22 178.539 178.539 177.764 0.775 25818 3187 1 14 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.345 0.618 25818 3188 1 14 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.708 0.156 25818 3189 1 14 . 1 1 22 22 ILE H H 22 8.131 8.131 7.725 0.406 25818 3190 1 14 . 1 1 23 23 VAL N N 23 119.397 119.397 120.245 -0.848 25818 3191 1 14 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.582 -0.240 25818 3192 1 14 . 1 1 23 23 VAL C C 23 177.330 177.330 178.103 -0.773 25818 3193 1 14 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.025 1.658 25818 3194 1 14 . 1 1 23 23 VAL CB C 23 31.371 31.371 30.765 0.606 25818 3195 1 14 . 1 1 23 23 VAL H H 23 8.440 8.440 7.335 1.105 25818 3196 1 14 . 1 1 24 24 THR N N 24 114.854 114.854 117.489 -2.635 25818 3197 1 14 . 1 1 24 24 THR HA H 24 4.172 4.172 3.881 0.291 25818 3198 1 14 . 1 1 24 24 THR C C 24 176.382 176.382 176.470 -0.088 25818 3199 1 14 . 1 1 24 24 THR CA C 24 68.010 68.010 67.383 0.627 25818 3200 1 14 . 1 1 24 24 THR H H 24 7.969 7.969 8.593 -0.624 25818 3201 1 14 . 1 1 25 25 TYR N N 25 121.421 121.421 123.798 -2.377 25818 3202 1 14 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.228 -0.218 25818 3203 1 14 . 1 1 25 25 TYR C C 25 177.425 177.425 177.610 -0.185 25818 3204 1 14 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.005 0.431 25818 3205 1 14 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.128 0.638 25818 3206 1 14 . 1 1 25 25 TYR H H 25 8.364 8.364 7.928 0.436 25818 3207 1 14 . 1 1 26 26 CYS N N 26 116.170 116.170 118.025 -1.855 25818 3208 1 14 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.891 0.048 25818 3209 1 14 . 1 1 26 26 CYS C C 26 176.335 176.335 177.030 -0.695 25818 3210 1 14 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.745 -0.502 25818 3211 1 14 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.610 -0.140 25818 3212 1 14 . 1 1 26 26 CYS H H 26 8.323 8.323 7.816 0.507 25818 3213 1 14 . 1 1 27 27 ILE N N 27 116.693 116.693 120.872 -4.179 25818 3214 1 14 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.478 0.318 25818 3215 1 14 . 1 1 27 27 ILE C C 27 176.737 176.737 177.365 -0.628 25818 3216 1 14 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.671 -1.564 25818 3217 1 14 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.813 0.062 25818 3218 1 14 . 1 1 27 27 ILE H H 27 8.259 8.259 8.101 0.158 25818 3219 1 14 . 1 1 28 28 ASN N N 28 117.531 117.531 118.403 -0.872 25818 3220 1 14 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.260 0.169 25818 3221 1 14 . 1 1 28 28 ASN C C 28 175.766 175.766 177.485 -1.719 25818 3222 1 14 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.883 -1.031 25818 3223 1 14 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.038 1.726 25818 3224 1 14 . 1 1 28 28 ASN H H 28 7.853 7.853 8.268 -0.415 25818 3225 1 14 . 1 1 29 29 ALA N N 29 120.505 120.505 123.172 -2.667 25818 3226 1 14 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.967 0.151 25818 3227 1 14 . 1 1 29 29 ALA C C 29 177.638 177.638 179.230 -1.592 25818 3228 1 14 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.820 -1.517 25818 3229 1 14 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.326 0.659 25818 3230 1 14 . 1 1 29 29 ALA H H 29 8.050 8.050 7.661 0.389 25818 3231 1 14 . 1 1 30 30 LYS N N 30 116.476 116.476 117.322 -0.846 25818 3232 1 14 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.008 0.319 25818 3233 1 14 . 1 1 30 30 LYS C C 30 176.192 176.192 177.514 -1.322 25818 3234 1 14 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.648 -3.155 25818 3235 1 14 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.195 -0.364 25818 3236 1 14 . 1 1 30 30 LYS H H 30 7.771 7.771 7.835 -0.064 25818 3237 1 14 . 1 1 31 31 ALA N N 31 122.457 122.457 120.420 2.037 25818 3238 1 14 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.470 -0.341 25818 3239 1 14 . 1 1 31 31 ALA C C 31 177.401 177.401 179.713 -2.312 25818 3240 1 14 . 1 1 31 31 ALA CA C 31 53.738 53.738 53.911 -0.173 25818 3241 1 14 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.735 -0.473 25818 3242 1 14 . 1 1 31 31 ALA H H 31 7.924 7.924 7.706 0.218 25818 3243 1 14 . 1 1 32 32 ASP N N 32 116.883 116.883 120.903 -4.020 25818 3244 1 14 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.487 -0.062 25818 3245 1 14 . 1 1 32 32 ASP C C 32 176.690 176.690 178.457 -1.767 25818 3246 1 14 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.549 -2.246 25818 3247 1 14 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.452 -0.232 25818 3248 1 14 . 1 1 32 32 ASP H H 32 8.401 8.401 8.316 0.085 25818 3249 1 14 . 1 1 33 33 VAL N N 33 116.175 116.175 119.330 -3.155 25818 3250 1 14 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.702 0.380 25818 3251 1 14 . 1 1 33 33 VAL C C 33 175.552 175.552 177.794 -2.242 25818 3252 1 14 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.697 -2.936 25818 3253 1 14 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.308 1.098 25818 3254 1 14 . 1 1 33 33 VAL H H 33 7.665 7.665 7.689 -0.024 25818 3255 1 14 . 1 1 34 34 LEU N N 34 120.012 120.012 119.561 0.451 25818 3256 1 14 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.108 0.032 25818 3257 1 14 . 1 1 34 34 LEU C C 34 176.382 176.382 178.358 -1.976 25818 3258 1 14 . 1 1 34 34 LEU CA C 34 55.664 55.664 57.127 -1.463 25818 3259 1 14 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.091 0.395 25818 3260 1 14 . 1 1 34 34 LEU H H 34 7.795 7.795 7.672 0.123 25818 3261 1 14 . 1 1 35 35 PHE N N 35 116.572 116.572 115.781 0.791 25818 3262 1 14 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.311 0.284 25818 3263 1 14 . 1 1 35 35 PHE C C 35 174.960 174.960 176.897 -1.937 25818 3264 1 14 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.615 -2.881 25818 3265 1 14 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.277 0.012 25818 3266 1 14 . 1 1 35 35 PHE H H 35 7.793 7.793 7.742 0.051 25818 3267 1 14 . 1 1 36 36 ILE N N 36 119.136 119.136 118.452 0.684 25818 3268 1 14 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.219 -0.111 25818 3269 1 14 . 1 1 36 36 ILE C C 36 174.975 174.975 176.179 -1.204 25818 3270 1 14 . 1 1 36 36 ILE CA C 36 60.863 60.863 61.936 -1.073 25818 3271 1 14 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.912 0.098 25818 3272 1 14 . 1 1 36 36 ILE H H 36 7.686 7.686 7.615 0.071 25818 3273 1 14 . 1 1 37 37 ALA N N 37 127.555 127.555 121.549 6.006 25818 3274 1 14 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.820 -0.307 25818 3275 1 14 . 1 1 37 37 ALA CA C 37 50.437 50.437 49.346 1.091 25818 3276 1 14 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.618 -0.301 25818 3277 1 14 . 1 1 37 37 ALA H H 37 8.169 8.169 7.600 0.569 25818 3278 1 14 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.397 -0.012 25818 3279 1 14 . 1 1 38 38 PRO C C 38 176.643 176.643 176.940 -0.297 25818 3280 1 14 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.346 0.652 25818 3281 1 14 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.369 -0.520 25818 3282 1 14 . 1 1 39 39 ARG N N 39 121.037 121.037 121.034 0.003 25818 3283 1 14 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.203 0.074 25818 3284 1 14 . 1 1 39 39 ARG C C 39 176.026 176.026 176.183 -0.157 25818 3285 1 14 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.183 -0.375 25818 3286 1 14 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.877 0.301 25818 3287 1 14 . 1 1 39 39 ARG H H 39 8.311 8.311 8.395 -0.084 25818 3288 1 14 . 1 1 40 40 GLU N N 40 122.834 122.834 122.112 0.722 25818 3289 1 14 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.230 0.054 25818 3290 1 14 . 1 1 40 40 GLU CA C 40 54.336 54.336 55.895 -1.559 25818 3291 1 14 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.909 -0.303 25818 3292 1 14 . 1 1 40 40 GLU H H 40 8.346 8.346 8.516 -0.170 25818 3293 1 14 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.348 -0.016 25818 3294 1 14 . 1 1 41 41 PRO C C 41 177.496 177.496 176.614 0.882 25818 3295 1 14 . 1 1 41 41 PRO CA C 41 63.793 63.793 62.986 0.807 25818 3296 1 14 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.258 -0.464 25818 3297 1 14 . 1 1 42 42 GLY N N 42 108.890 108.890 107.094 1.796 25818 3298 1 14 . 1 1 42 42 GLY C C 42 173.808 173.808 173.604 0.204 25818 3299 1 14 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.974 0.260 25818 3300 1 14 . 1 1 42 42 GLY H H 42 8.412 8.412 7.997 0.415 25818 3301 1 14 . 1 1 43 43 ALA N N 43 123.534 123.534 120.377 3.157 25818 3302 1 14 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.047 0.250 25818 3303 1 14 . 1 1 43 43 ALA C C 43 177.567 177.567 177.021 0.546 25818 3304 1 14 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.330 0.156 25818 3305 1 14 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.135 0.290 25818 3306 1 14 . 1 1 43 43 ALA H H 43 7.929 7.929 7.495 0.434 25818 3307 1 14 . 1 1 44 44 VAL N N 44 118.351 118.351 121.052 -2.701 25818 3308 1 14 . 1 1 44 44 VAL HA H 44 4.118 4.118 3.861 0.257 25818 3309 1 14 . 1 1 44 44 VAL C C 44 175.647 175.647 175.650 -0.003 25818 3310 1 14 . 1 1 44 44 VAL CA C 44 62.060 62.060 63.138 -1.078 25818 3311 1 14 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.685 1.216 25818 3312 1 14 . 1 1 44 44 VAL H H 44 7.985 7.985 8.233 -0.248 25818 3313 1 14 . 1 1 45 45 SER N N 45 119.089 119.089 124.513 -5.424 25818 3314 1 14 . 1 1 45 45 SER HA H 45 4.394 4.394 4.436 -0.042 25818 3315 1 14 . 1 1 45 45 SER C C 45 172.840 172.840 174.281 -1.441 25818 3316 1 14 . 1 1 45 45 SER CA C 45 57.993 57.993 57.424 0.569 25818 3317 1 14 . 1 1 45 45 SER CB C 45 64.261 64.261 63.077 1.184 25818 3318 1 14 . 1 1 45 45 SER H H 45 8.081 8.081 8.087 -0.006 25818 3319 1 15 . 1 1 2 2 SER N N 2 115.072 115.072 115.598 -0.526 25818 3320 1 15 . 1 1 2 2 SER HA H 2 4.322 4.322 4.042 0.280 25818 3321 1 15 . 1 1 2 2 SER C C 2 175.102 175.102 176.363 -1.261 25818 3322 1 15 . 1 1 2 2 SER CA C 2 58.862 58.862 61.655 -2.793 25818 3323 1 15 . 1 1 2 2 SER CB C 2 63.783 63.783 62.949 0.834 25818 3324 1 15 . 1 1 2 2 SER H H 2 8.287 8.287 8.461 -0.174 25818 3325 1 15 . 1 1 3 3 LYS N N 3 122.944 122.944 120.510 2.434 25818 3326 1 15 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.110 0.113 25818 3327 1 15 . 1 1 3 3 LYS C C 3 177.259 177.259 178.417 -1.158 25818 3328 1 15 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.343 -1.859 25818 3329 1 15 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.075 0.155 25818 3330 1 15 . 1 1 3 3 LYS H H 3 8.418 8.418 8.463 -0.045 25818 3331 1 15 . 1 1 4 4 GLU N N 4 119.651 119.651 118.207 1.444 25818 3332 1 15 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.014 0.072 25818 3333 1 15 . 1 1 4 4 GLU C C 4 177.164 177.164 179.154 -1.990 25818 3334 1 15 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.613 -0.739 25818 3335 1 15 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.309 0.098 25818 3336 1 15 . 1 1 4 4 GLU H H 4 8.583 8.583 8.333 0.250 25818 3337 1 15 . 1 1 5 5 LEU N N 5 119.754 119.754 120.151 -0.397 25818 3338 1 15 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.959 0.210 25818 3339 1 15 . 1 1 5 5 LEU C C 5 178.517 178.517 179.056 -0.539 25818 3340 1 15 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.134 -1.498 25818 3341 1 15 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.870 0.060 25818 3342 1 15 . 1 1 5 5 LEU H H 5 8.069 8.069 8.678 -0.609 25818 3343 1 15 . 1 1 6 6 GLU N N 6 121.615 121.615 120.074 1.541 25818 3344 1 15 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.001 0.087 25818 3345 1 15 . 1 1 6 6 GLU C C 6 177.306 177.306 179.126 -1.820 25818 3346 1 15 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.659 -0.651 25818 3347 1 15 . 1 1 6 6 GLU H H 6 8.367 8.367 8.201 0.166 25818 3348 1 15 . 1 1 7 7 LEU N N 7 119.398 119.398 120.677 -1.279 25818 3349 1 15 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.554 -0.728 25818 3350 1 15 . 1 1 7 7 LEU H H 7 8.215 8.215 8.228 -0.013 25818 3351 1 15 . 1 1 8 8 ILE N N 8 120.843 120.843 119.102 1.741 25818 3352 1 15 . 1 1 8 8 ILE CA C 8 65.302 65.302 64.926 0.376 25818 3353 1 15 . 1 1 8 8 ILE H H 8 8.518 8.518 7.691 0.827 25818 3354 1 15 . 1 1 9 9 THR N N 9 115.829 115.829 117.352 -1.523 25818 3355 1 15 . 1 1 9 9 THR CA C 9 67.586 67.586 66.907 0.678 25818 3356 1 15 . 1 1 9 9 THR H H 9 7.782 7.782 8.371 -0.589 25818 3357 1 15 . 1 1 10 10 LEU N N 10 119.886 119.886 121.769 -1.883 25818 3358 1 15 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.054 -0.100 25818 3359 1 15 . 1 1 10 10 LEU C C 10 177.875 177.875 178.596 -0.721 25818 3360 1 15 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.652 -0.168 25818 3361 1 15 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.766 0.196 25818 3362 1 15 . 1 1 10 10 LEU H H 10 8.086 8.086 8.509 -0.423 25818 3363 1 15 . 1 1 11 11 THR N N 11 114.351 114.351 116.449 -2.098 25818 3364 1 15 . 1 1 11 11 THR HA H 11 4.220 4.220 4.075 0.145 25818 3365 1 15 . 1 1 11 11 THR CA C 11 67.939 67.939 67.015 0.924 25818 3366 1 15 . 1 1 11 11 THR H H 11 8.033 8.033 8.097 -0.064 25818 3367 1 15 . 1 1 12 12 VAL N N 12 120.398 120.398 120.486 -0.088 25818 3368 1 15 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.801 -0.233 25818 3369 1 15 . 1 1 12 12 VAL C C 12 177.733 177.733 178.330 -0.597 25818 3370 1 15 . 1 1 12 12 VAL CA C 12 67.141 67.141 65.872 1.269 25818 3371 1 15 . 1 1 12 12 VAL H H 12 8.263 8.263 8.148 0.115 25818 3372 1 15 . 1 1 13 13 GLY N N 13 106.524 106.524 109.072 -2.548 25818 3373 1 15 . 1 1 13 13 GLY C C 13 174.414 174.414 175.752 -1.338 25818 3374 1 15 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.168 0.668 25818 3375 1 15 . 1 1 13 13 GLY H H 13 8.563 8.563 7.999 0.564 25818 3376 1 15 . 1 1 14 14 PHE N N 14 120.589 120.589 122.967 -2.378 25818 3377 1 15 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.487 -0.277 25818 3378 1 15 . 1 1 14 14 PHE C C 14 177.591 177.591 177.280 0.311 25818 3379 1 15 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.604 2.098 25818 3380 1 15 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.472 -0.556 25818 3381 1 15 . 1 1 14 14 PHE H H 14 8.678 8.678 8.401 0.277 25818 3382 1 15 . 1 1 15 15 GLY N N 15 106.691 106.691 107.852 -1.161 25818 3383 1 15 . 1 1 15 15 GLY C C 15 174.533 174.533 176.079 -1.546 25818 3384 1 15 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.213 0.494 25818 3385 1 15 . 1 1 15 15 GLY H H 15 8.582 8.582 8.786 -0.204 25818 3386 1 15 . 1 1 16 16 ILE N N 16 120.894 120.894 122.533 -1.639 25818 3387 1 15 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.938 -0.298 25818 3388 1 15 . 1 1 16 16 ILE C C 16 178.658 178.658 177.547 1.111 25818 3389 1 15 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.714 1.716 25818 3390 1 15 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.536 -0.348 25818 3391 1 15 . 1 1 16 16 ILE H H 16 8.599 8.599 7.640 0.959 25818 3392 1 15 . 1 1 17 17 LEU N N 17 123.149 123.149 122.446 0.703 25818 3393 1 15 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.053 -0.093 25818 3394 1 15 . 1 1 17 17 LEU C C 17 178.207 178.207 179.381 -1.174 25818 3395 1 15 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.472 0.389 25818 3396 1 15 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.803 -0.190 25818 3397 1 15 . 1 1 17 17 LEU H H 17 8.206 8.206 7.636 0.570 25818 3398 1 15 . 1 1 18 18 ILE N N 18 117.975 117.975 118.795 -0.820 25818 3399 1 15 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.522 0.040 25818 3400 1 15 . 1 1 18 18 ILE C C 18 177.738 177.738 178.090 -0.352 25818 3401 1 15 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.598 -0.029 25818 3402 1 15 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.843 -0.331 25818 3403 1 15 . 1 1 18 18 ILE H H 18 8.455 8.455 7.500 0.955 25818 3404 1 15 . 1 1 19 19 PHE N N 19 119.303 119.303 121.362 -2.059 25818 3405 1 15 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.041 0.028 25818 3406 1 15 . 1 1 19 19 PHE C C 19 177.069 177.069 177.171 -0.102 25818 3407 1 15 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.797 0.154 25818 3408 1 15 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.961 0.157 25818 3409 1 15 . 1 1 19 19 PHE H H 19 8.609 8.609 7.846 0.763 25818 3410 1 15 . 1 1 20 20 SER N N 20 114.834 114.834 115.759 -0.925 25818 3411 1 15 . 1 1 20 20 SER HA H 20 4.010 4.010 3.981 0.029 25818 3412 1 15 . 1 1 20 20 SER C C 20 176.951 176.951 176.519 0.432 25818 3413 1 15 . 1 1 20 20 SER CA C 20 63.441 63.441 61.363 2.078 25818 3414 1 15 . 1 1 20 20 SER H H 20 8.571 8.571 8.524 0.047 25818 3415 1 15 . 1 1 21 21 LEU N N 21 124.956 124.956 123.599 1.357 25818 3416 1 15 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.045 0.007 25818 3417 1 15 . 1 1 21 21 LEU C C 21 178.041 178.041 178.461 -0.420 25818 3418 1 15 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.919 0.412 25818 3419 1 15 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.752 0.019 25818 3420 1 15 . 1 1 21 21 LEU H H 21 8.193 8.193 8.146 0.047 25818 3421 1 15 . 1 1 22 22 ILE N N 22 119.365 119.365 118.695 0.670 25818 3422 1 15 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.568 0.034 25818 3423 1 15 . 1 1 22 22 ILE C C 22 178.539 178.539 177.826 0.713 25818 3424 1 15 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.640 0.323 25818 3425 1 15 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.765 0.099 25818 3426 1 15 . 1 1 22 22 ILE H H 22 8.131 8.131 7.808 0.323 25818 3427 1 15 . 1 1 23 23 VAL N N 23 119.397 119.397 120.486 -1.089 25818 3428 1 15 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.431 -0.089 25818 3429 1 15 . 1 1 23 23 VAL C C 23 177.330 177.330 177.722 -0.392 25818 3430 1 15 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.285 0.398 25818 3431 1 15 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.539 -0.168 25818 3432 1 15 . 1 1 23 23 VAL H H 23 8.440 8.440 7.345 1.095 25818 3433 1 15 . 1 1 24 24 THR N N 24 114.854 114.854 116.975 -2.121 25818 3434 1 15 . 1 1 24 24 THR HA H 24 4.172 4.172 3.858 0.314 25818 3435 1 15 . 1 1 24 24 THR C C 24 176.382 176.382 176.166 0.216 25818 3436 1 15 . 1 1 24 24 THR CA C 24 68.010 68.010 67.235 0.775 25818 3437 1 15 . 1 1 24 24 THR H H 24 7.969 7.969 8.342 -0.373 25818 3438 1 15 . 1 1 25 25 TYR N N 25 121.421 121.421 122.955 -1.534 25818 3439 1 15 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.121 -0.111 25818 3440 1 15 . 1 1 25 25 TYR C C 25 177.425 177.425 177.019 0.406 25818 3441 1 15 . 1 1 25 25 TYR CA C 25 62.436 62.436 61.858 0.577 25818 3442 1 15 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.488 0.278 25818 3443 1 15 . 1 1 25 25 TYR H H 25 8.364 8.364 7.804 0.560 25818 3444 1 15 . 1 1 26 26 CYS N N 26 116.170 116.170 117.838 -1.668 25818 3445 1 15 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.997 -0.058 25818 3446 1 15 . 1 1 26 26 CYS C C 26 176.335 176.335 177.354 -1.019 25818 3447 1 15 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.960 -0.717 25818 3448 1 15 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.017 0.453 25818 3449 1 15 . 1 1 26 26 CYS H H 26 8.323 8.323 7.935 0.388 25818 3450 1 15 . 1 1 27 27 ILE N N 27 116.693 116.693 121.166 -4.473 25818 3451 1 15 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.503 0.293 25818 3452 1 15 . 1 1 27 27 ILE C C 27 176.737 176.737 177.428 -0.691 25818 3453 1 15 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.609 -1.502 25818 3454 1 15 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.731 0.144 25818 3455 1 15 . 1 1 27 27 ILE H H 27 8.259 8.259 7.862 0.397 25818 3456 1 15 . 1 1 28 28 ASN N N 28 117.531 117.531 118.322 -0.791 25818 3457 1 15 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.234 0.195 25818 3458 1 15 . 1 1 28 28 ASN C C 28 175.766 175.766 177.254 -1.488 25818 3459 1 15 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.289 -0.437 25818 3460 1 15 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.474 1.290 25818 3461 1 15 . 1 1 28 28 ASN H H 28 7.853 7.853 8.072 -0.219 25818 3462 1 15 . 1 1 29 29 ALA N N 29 120.505 120.505 122.447 -1.942 25818 3463 1 15 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.936 0.182 25818 3464 1 15 . 1 1 29 29 ALA C C 29 177.638 177.638 179.147 -1.509 25818 3465 1 15 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.890 -1.587 25818 3466 1 15 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.259 0.726 25818 3467 1 15 . 1 1 29 29 ALA H H 29 8.050 8.050 7.538 0.512 25818 3468 1 15 . 1 1 30 30 LYS N N 30 116.476 116.476 117.858 -1.382 25818 3469 1 15 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.024 0.303 25818 3470 1 15 . 1 1 30 30 LYS C C 30 176.192 176.192 178.227 -2.035 25818 3471 1 15 . 1 1 30 30 LYS CA C 30 55.493 55.493 59.070 -3.577 25818 3472 1 15 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.410 -0.579 25818 3473 1 15 . 1 1 30 30 LYS H H 30 7.771 7.771 7.651 0.120 25818 3474 1 15 . 1 1 31 31 ALA N N 31 122.457 122.457 120.137 2.320 25818 3475 1 15 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.466 -0.337 25818 3476 1 15 . 1 1 31 31 ALA C C 31 177.401 177.401 178.931 -1.530 25818 3477 1 15 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.142 -0.404 25818 3478 1 15 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.208 0.054 25818 3479 1 15 . 1 1 31 31 ALA H H 31 7.924 7.924 7.901 0.023 25818 3480 1 15 . 1 1 32 32 ASP N N 32 116.883 116.883 119.522 -2.639 25818 3481 1 15 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.598 -0.173 25818 3482 1 15 . 1 1 32 32 ASP C C 32 176.690 176.690 177.729 -1.039 25818 3483 1 15 . 1 1 32 32 ASP CA C 32 55.303 55.303 56.684 -1.381 25818 3484 1 15 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.528 -0.308 25818 3485 1 15 . 1 1 32 32 ASP H H 32 8.401 8.401 7.822 0.579 25818 3486 1 15 . 1 1 33 33 VAL N N 33 116.175 116.175 118.507 -2.332 25818 3487 1 15 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.832 0.250 25818 3488 1 15 . 1 1 33 33 VAL C C 33 175.552 175.552 176.816 -1.264 25818 3489 1 15 . 1 1 33 33 VAL CA C 33 62.761 62.761 64.796 -2.035 25818 3490 1 15 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.673 0.733 25818 3491 1 15 . 1 1 33 33 VAL H H 33 7.665 7.665 7.659 0.006 25818 3492 1 15 . 1 1 34 34 LEU N N 34 120.012 120.012 118.533 1.479 25818 3493 1 15 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.349 -0.209 25818 3494 1 15 . 1 1 34 34 LEU C C 34 176.382 176.382 178.012 -1.630 25818 3495 1 15 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.513 -0.849 25818 3496 1 15 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.939 -0.453 25818 3497 1 15 . 1 1 34 34 LEU H H 34 7.795 7.795 7.183 0.612 25818 3498 1 15 . 1 1 35 35 PHE N N 35 116.572 116.572 116.601 -0.029 25818 3499 1 15 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.470 0.125 25818 3500 1 15 . 1 1 35 35 PHE C C 35 174.960 174.960 176.500 -1.540 25818 3501 1 15 . 1 1 35 35 PHE CA C 35 57.734 57.734 58.935 -1.201 25818 3502 1 15 . 1 1 35 35 PHE CB C 35 39.289 39.289 37.475 1.814 25818 3503 1 15 . 1 1 35 35 PHE H H 35 7.793 7.793 7.798 -0.005 25818 3504 1 15 . 1 1 36 36 ILE N N 36 119.136 119.136 118.717 0.419 25818 3505 1 15 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.887 0.221 25818 3506 1 15 . 1 1 36 36 ILE C C 36 174.975 174.975 176.991 -2.016 25818 3507 1 15 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.154 -2.291 25818 3508 1 15 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.919 1.091 25818 3509 1 15 . 1 1 36 36 ILE H H 36 7.686 7.686 7.443 0.243 25818 3510 1 15 . 1 1 37 37 ALA N N 37 127.555 127.555 121.302 6.253 25818 3511 1 15 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.483 0.030 25818 3512 1 15 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.211 0.226 25818 3513 1 15 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.487 -0.170 25818 3514 1 15 . 1 1 37 37 ALA H H 37 8.169 8.169 8.027 0.142 25818 3515 1 15 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.439 -0.054 25818 3516 1 15 . 1 1 38 38 PRO C C 38 176.643 176.643 176.312 0.331 25818 3517 1 15 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.405 0.593 25818 3518 1 15 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.654 -0.805 25818 3519 1 15 . 1 1 39 39 ARG N N 39 121.037 121.037 120.933 0.104 25818 3520 1 15 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.128 0.149 25818 3521 1 15 . 1 1 39 39 ARG C C 39 176.026 176.026 176.654 -0.628 25818 3522 1 15 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.568 -0.760 25818 3523 1 15 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.238 0.940 25818 3524 1 15 . 1 1 39 39 ARG H H 39 8.311 8.311 8.421 -0.110 25818 3525 1 15 . 1 1 40 40 GLU N N 40 122.834 122.834 125.271 -2.437 25818 3526 1 15 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.200 0.084 25818 3527 1 15 . 1 1 40 40 GLU CA C 40 54.336 54.336 56.115 -1.779 25818 3528 1 15 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.534 0.072 25818 3529 1 15 . 1 1 40 40 GLU H H 40 8.346 8.346 8.412 -0.066 25818 3530 1 15 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.301 0.031 25818 3531 1 15 . 1 1 41 41 PRO C C 41 177.496 177.496 177.013 0.483 25818 3532 1 15 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.678 0.115 25818 3533 1 15 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.530 -0.736 25818 3534 1 15 . 1 1 42 42 GLY N N 42 108.890 108.890 106.630 2.260 25818 3535 1 15 . 1 1 42 42 GLY C C 42 173.808 173.808 174.467 -0.659 25818 3536 1 15 . 1 1 42 42 GLY CA C 42 45.233 45.233 45.522 -0.289 25818 3537 1 15 . 1 1 42 42 GLY H H 42 8.412 8.412 8.606 -0.194 25818 3538 1 15 . 1 1 43 43 ALA N N 43 123.534 123.534 123.435 0.099 25818 3539 1 15 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.069 0.228 25818 3540 1 15 . 1 1 43 43 ALA C C 43 177.567 177.567 176.898 0.669 25818 3541 1 15 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.428 0.058 25818 3542 1 15 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.248 0.177 25818 3543 1 15 . 1 1 43 43 ALA H H 43 7.929 7.929 7.874 0.055 25818 3544 1 15 . 1 1 44 44 VAL N N 44 118.351 118.351 120.321 -1.970 25818 3545 1 15 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.099 0.019 25818 3546 1 15 . 1 1 44 44 VAL C C 44 175.647 175.647 176.462 -0.815 25818 3547 1 15 . 1 1 44 44 VAL CA C 44 62.060 62.060 63.133 -1.073 25818 3548 1 15 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.688 0.214 25818 3549 1 15 . 1 1 44 44 VAL H H 44 7.985 7.985 8.351 -0.366 25818 3550 1 15 . 1 1 45 45 SER N N 45 119.089 119.089 123.238 -4.149 25818 3551 1 15 . 1 1 45 45 SER HA H 45 4.394 4.394 4.580 -0.186 25818 3552 1 15 . 1 1 45 45 SER C C 45 172.840 172.840 173.575 -0.735 25818 3553 1 15 . 1 1 45 45 SER CA C 45 57.993 57.993 58.717 -0.724 25818 3554 1 15 . 1 1 45 45 SER CB C 45 64.261 64.261 63.835 0.426 25818 3555 1 15 . 1 1 45 45 SER H H 45 8.081 8.081 8.802 -0.721 25818 3556 1 16 . 1 1 2 2 SER N N 2 115.072 115.072 116.021 -0.949 25818 3557 1 16 . 1 1 2 2 SER HA H 2 4.322 4.322 4.264 0.058 25818 3558 1 16 . 1 1 2 2 SER C C 2 175.102 175.102 176.436 -1.334 25818 3559 1 16 . 1 1 2 2 SER CA C 2 58.862 58.862 60.877 -2.015 25818 3560 1 16 . 1 1 2 2 SER CB C 2 63.783 63.783 62.565 1.218 25818 3561 1 16 . 1 1 2 2 SER H H 2 8.287 8.287 8.619 -0.332 25818 3562 1 16 . 1 1 3 3 LYS N N 3 122.944 122.944 121.533 1.411 25818 3563 1 16 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.200 0.023 25818 3564 1 16 . 1 1 3 3 LYS C C 3 177.259 177.259 178.987 -1.728 25818 3565 1 16 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.495 -2.011 25818 3566 1 16 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.186 0.044 25818 3567 1 16 . 1 1 3 3 LYS H H 3 8.418 8.418 8.337 0.081 25818 3568 1 16 . 1 1 4 4 GLU N N 4 119.651 119.651 119.705 -0.054 25818 3569 1 16 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.109 -0.023 25818 3570 1 16 . 1 1 4 4 GLU C C 4 177.164 177.164 178.958 -1.794 25818 3571 1 16 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.454 -0.580 25818 3572 1 16 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.330 0.077 25818 3573 1 16 . 1 1 4 4 GLU H H 4 8.583 8.583 8.198 0.385 25818 3574 1 16 . 1 1 5 5 LEU N N 5 119.754 119.754 119.673 0.081 25818 3575 1 16 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.935 0.234 25818 3576 1 16 . 1 1 5 5 LEU C C 5 178.517 178.517 179.183 -0.666 25818 3577 1 16 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.530 -1.894 25818 3578 1 16 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.815 0.115 25818 3579 1 16 . 1 1 5 5 LEU H H 5 8.069 8.069 8.419 -0.350 25818 3580 1 16 . 1 1 6 6 GLU N N 6 121.615 121.615 120.078 1.537 25818 3581 1 16 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.008 0.080 25818 3582 1 16 . 1 1 6 6 GLU C C 6 177.306 177.306 179.190 -1.884 25818 3583 1 16 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.695 -0.687 25818 3584 1 16 . 1 1 6 6 GLU H H 6 8.367 8.367 7.567 0.800 25818 3585 1 16 . 1 1 7 7 LEU N N 7 119.398 119.398 120.923 -1.525 25818 3586 1 16 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.285 -0.459 25818 3587 1 16 . 1 1 7 7 LEU H H 7 8.215 8.215 7.942 0.273 25818 3588 1 16 . 1 1 8 8 ILE N N 8 120.843 120.843 119.418 1.425 25818 3589 1 16 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.421 -0.119 25818 3590 1 16 . 1 1 8 8 ILE H H 8 8.518 8.518 8.498 0.020 25818 3591 1 16 . 1 1 9 9 THR N N 9 115.829 115.829 116.212 -0.383 25818 3592 1 16 . 1 1 9 9 THR CA C 9 67.586 67.586 66.968 0.618 25818 3593 1 16 . 1 1 9 9 THR H H 9 7.782 7.782 7.811 -0.029 25818 3594 1 16 . 1 1 10 10 LEU N N 10 119.886 119.886 122.023 -2.137 25818 3595 1 16 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.910 0.044 25818 3596 1 16 . 1 1 10 10 LEU C C 10 177.875 177.875 178.436 -0.561 25818 3597 1 16 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.431 0.053 25818 3598 1 16 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.884 0.078 25818 3599 1 16 . 1 1 10 10 LEU H H 10 8.086 8.086 8.519 -0.433 25818 3600 1 16 . 1 1 11 11 THR N N 11 114.351 114.351 116.093 -1.742 25818 3601 1 16 . 1 1 11 11 THR HA H 11 4.220 4.220 4.064 0.156 25818 3602 1 16 . 1 1 11 11 THR CA C 11 67.939 67.939 67.450 0.489 25818 3603 1 16 . 1 1 11 11 THR H H 11 8.033 8.033 8.310 -0.278 25818 3604 1 16 . 1 1 12 12 VAL N N 12 120.398 120.398 120.902 -0.504 25818 3605 1 16 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.655 -0.087 25818 3606 1 16 . 1 1 12 12 VAL C C 12 177.733 177.733 178.165 -0.432 25818 3607 1 16 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.623 0.518 25818 3608 1 16 . 1 1 12 12 VAL H H 12 8.263 8.263 7.924 0.339 25818 3609 1 16 . 1 1 13 13 GLY N N 13 106.524 106.524 108.761 -2.237 25818 3610 1 16 . 1 1 13 13 GLY C C 13 174.414 174.414 175.704 -1.290 25818 3611 1 16 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.118 0.718 25818 3612 1 16 . 1 1 13 13 GLY H H 13 8.563 8.563 8.226 0.337 25818 3613 1 16 . 1 1 14 14 PHE N N 14 120.589 120.589 123.144 -2.555 25818 3614 1 16 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.428 -0.218 25818 3615 1 16 . 1 1 14 14 PHE C C 14 177.591 177.591 177.340 0.251 25818 3616 1 16 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.700 2.002 25818 3617 1 16 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.364 -0.448 25818 3618 1 16 . 1 1 14 14 PHE H H 14 8.678 8.678 8.255 0.423 25818 3619 1 16 . 1 1 15 15 GLY N N 15 106.691 106.691 107.730 -1.039 25818 3620 1 16 . 1 1 15 15 GLY C C 15 174.533 174.533 176.054 -1.521 25818 3621 1 16 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.122 0.585 25818 3622 1 16 . 1 1 15 15 GLY H H 15 8.582 8.582 8.864 -0.282 25818 3623 1 16 . 1 1 16 16 ILE N N 16 120.894 120.894 123.000 -2.106 25818 3624 1 16 . 1 1 16 16 ILE HA H 16 3.640 3.640 4.004 -0.364 25818 3625 1 16 . 1 1 16 16 ILE C C 16 178.658 178.658 177.508 1.150 25818 3626 1 16 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.783 1.647 25818 3627 1 16 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.630 -0.442 25818 3628 1 16 . 1 1 16 16 ILE H H 16 8.599 8.599 7.818 0.781 25818 3629 1 16 . 1 1 17 17 LEU N N 17 123.149 123.149 121.500 1.649 25818 3630 1 16 . 1 1 17 17 LEU HA H 17 3.960 3.960 3.883 0.077 25818 3631 1 16 . 1 1 17 17 LEU C C 17 178.207 178.207 178.823 -0.616 25818 3632 1 16 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.657 0.204 25818 3633 1 16 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.874 -0.261 25818 3634 1 16 . 1 1 17 17 LEU H H 17 8.206 8.206 7.691 0.515 25818 3635 1 16 . 1 1 18 18 ILE N N 18 117.975 117.975 118.963 -0.988 25818 3636 1 16 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.438 0.124 25818 3637 1 16 . 1 1 18 18 ILE C C 18 177.738 177.738 177.868 -0.130 25818 3638 1 16 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.122 -0.553 25818 3639 1 16 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.682 -1.170 25818 3640 1 16 . 1 1 18 18 ILE H H 18 8.455 8.455 7.382 1.073 25818 3641 1 16 . 1 1 19 19 PHE N N 19 119.303 119.303 120.597 -1.294 25818 3642 1 16 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.013 0.056 25818 3643 1 16 . 1 1 19 19 PHE C C 19 177.069 177.069 177.286 -0.217 25818 3644 1 16 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.398 0.553 25818 3645 1 16 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.775 0.343 25818 3646 1 16 . 1 1 19 19 PHE H H 19 8.609 8.609 7.797 0.812 25818 3647 1 16 . 1 1 20 20 SER N N 20 114.834 114.834 115.602 -0.768 25818 3648 1 16 . 1 1 20 20 SER HA H 20 4.010 4.010 3.375 0.635 25818 3649 1 16 . 1 1 20 20 SER C C 20 176.951 176.951 176.381 0.570 25818 3650 1 16 . 1 1 20 20 SER CA C 20 63.441 63.441 61.143 2.298 25818 3651 1 16 . 1 1 20 20 SER H H 20 8.571 8.571 8.138 0.433 25818 3652 1 16 . 1 1 21 21 LEU N N 21 124.956 124.956 123.218 1.738 25818 3653 1 16 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.998 0.054 25818 3654 1 16 . 1 1 21 21 LEU C C 21 178.041 178.041 178.460 -0.419 25818 3655 1 16 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.922 0.409 25818 3656 1 16 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.678 0.092 25818 3657 1 16 . 1 1 21 21 LEU H H 21 8.193 8.193 8.277 -0.084 25818 3658 1 16 . 1 1 22 22 ILE N N 22 119.365 119.365 118.435 0.930 25818 3659 1 16 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.652 -0.050 25818 3660 1 16 . 1 1 22 22 ILE C C 22 178.539 178.539 178.193 0.346 25818 3661 1 16 . 1 1 22 22 ILE CA C 22 65.963 65.963 64.865 1.098 25818 3662 1 16 . 1 1 22 22 ILE CB C 22 37.864 37.864 36.929 0.935 25818 3663 1 16 . 1 1 22 22 ILE H H 22 8.131 8.131 7.741 0.390 25818 3664 1 16 . 1 1 23 23 VAL N N 23 119.397 119.397 120.864 -1.467 25818 3665 1 16 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.539 -0.197 25818 3666 1 16 . 1 1 23 23 VAL C C 23 177.330 177.330 178.078 -0.748 25818 3667 1 16 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.338 0.345 25818 3668 1 16 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.510 -0.139 25818 3669 1 16 . 1 1 23 23 VAL H H 23 8.440 8.440 7.467 0.973 25818 3670 1 16 . 1 1 24 24 THR N N 24 114.854 114.854 115.753 -0.899 25818 3671 1 16 . 1 1 24 24 THR HA H 24 4.172 4.172 4.008 0.164 25818 3672 1 16 . 1 1 24 24 THR C C 24 176.382 176.382 176.208 0.174 25818 3673 1 16 . 1 1 24 24 THR CA C 24 68.010 68.010 65.994 2.016 25818 3674 1 16 . 1 1 24 24 THR H H 24 7.969 7.969 8.221 -0.252 25818 3675 1 16 . 1 1 25 25 TYR N N 25 121.421 121.421 123.730 -2.309 25818 3676 1 16 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.201 -0.191 25818 3677 1 16 . 1 1 25 25 TYR C C 25 177.425 177.425 177.110 0.315 25818 3678 1 16 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.164 0.272 25818 3679 1 16 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.420 0.346 25818 3680 1 16 . 1 1 25 25 TYR H H 25 8.364 8.364 8.015 0.349 25818 3681 1 16 . 1 1 26 26 CYS N N 26 116.170 116.170 118.309 -2.139 25818 3682 1 16 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.982 -0.043 25818 3683 1 16 . 1 1 26 26 CYS C C 26 176.335 176.335 177.311 -0.976 25818 3684 1 16 . 1 1 26 26 CYS CA C 26 64.243 64.243 63.113 1.130 25818 3685 1 16 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.372 1.098 25818 3686 1 16 . 1 1 26 26 CYS H H 26 8.323 8.323 8.175 0.148 25818 3687 1 16 . 1 1 27 27 ILE N N 27 116.693 116.693 121.111 -4.418 25818 3688 1 16 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.513 0.283 25818 3689 1 16 . 1 1 27 27 ILE C C 27 176.737 176.737 177.822 -1.085 25818 3690 1 16 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.697 -1.590 25818 3691 1 16 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.689 0.186 25818 3692 1 16 . 1 1 27 27 ILE H H 27 8.259 8.259 8.087 0.172 25818 3693 1 16 . 1 1 28 28 ASN N N 28 117.531 117.531 118.326 -0.795 25818 3694 1 16 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.365 0.064 25818 3695 1 16 . 1 1 28 28 ASN C C 28 175.766 175.766 177.616 -1.850 25818 3696 1 16 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.123 -0.271 25818 3697 1 16 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.768 1.996 25818 3698 1 16 . 1 1 28 28 ASN H H 28 7.853 7.853 7.864 -0.011 25818 3699 1 16 . 1 1 29 29 ALA N N 29 120.505 120.505 122.940 -2.435 25818 3700 1 16 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.895 0.223 25818 3701 1 16 . 1 1 29 29 ALA C C 29 177.638 177.638 179.436 -1.798 25818 3702 1 16 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.892 -1.589 25818 3703 1 16 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.164 0.821 25818 3704 1 16 . 1 1 29 29 ALA H H 29 8.050 8.050 8.020 0.030 25818 3705 1 16 . 1 1 30 30 LYS N N 30 116.476 116.476 117.581 -1.105 25818 3706 1 16 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.079 0.248 25818 3707 1 16 . 1 1 30 30 LYS C C 30 176.192 176.192 178.389 -2.197 25818 3708 1 16 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.711 -3.218 25818 3709 1 16 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.371 -0.540 25818 3710 1 16 . 1 1 30 30 LYS H H 30 7.771 7.771 7.675 0.096 25818 3711 1 16 . 1 1 31 31 ALA N N 31 122.457 122.457 121.129 1.328 25818 3712 1 16 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.372 -0.243 25818 3713 1 16 . 1 1 31 31 ALA C C 31 177.401 177.401 179.330 -1.929 25818 3714 1 16 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.518 -0.780 25818 3715 1 16 . 1 1 31 31 ALA CB C 31 19.262 19.262 18.912 0.350 25818 3716 1 16 . 1 1 31 31 ALA H H 31 7.924 7.924 7.684 0.240 25818 3717 1 16 . 1 1 32 32 ASP N N 32 116.883 116.883 119.934 -3.051 25818 3718 1 16 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.615 -0.190 25818 3719 1 16 . 1 1 32 32 ASP C C 32 176.690 176.690 178.169 -1.479 25818 3720 1 16 . 1 1 32 32 ASP CA C 32 55.303 55.303 56.757 -1.454 25818 3721 1 16 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.712 -0.492 25818 3722 1 16 . 1 1 32 32 ASP H H 32 8.401 8.401 8.000 0.401 25818 3723 1 16 . 1 1 33 33 VAL N N 33 116.175 116.175 119.213 -3.038 25818 3724 1 16 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.768 0.314 25818 3725 1 16 . 1 1 33 33 VAL C C 33 175.552 175.552 177.328 -1.776 25818 3726 1 16 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.947 -3.186 25818 3727 1 16 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.339 1.067 25818 3728 1 16 . 1 1 33 33 VAL H H 33 7.665 7.665 7.746 -0.081 25818 3729 1 16 . 1 1 34 34 LEU N N 34 120.012 120.012 118.128 1.884 25818 3730 1 16 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.206 -0.066 25818 3731 1 16 . 1 1 34 34 LEU C C 34 176.382 176.382 177.837 -1.455 25818 3732 1 16 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.645 -0.981 25818 3733 1 16 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.450 0.036 25818 3734 1 16 . 1 1 34 34 LEU H H 34 7.795 7.795 7.332 0.463 25818 3735 1 16 . 1 1 35 35 PHE N N 35 116.572 116.572 116.537 0.035 25818 3736 1 16 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.444 0.151 25818 3737 1 16 . 1 1 35 35 PHE C C 35 174.960 174.960 176.545 -1.585 25818 3738 1 16 . 1 1 35 35 PHE CA C 35 57.734 57.734 59.263 -1.529 25818 3739 1 16 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.007 0.282 25818 3740 1 16 . 1 1 35 35 PHE H H 35 7.793 7.793 7.682 0.111 25818 3741 1 16 . 1 1 36 36 ILE N N 36 119.136 119.136 117.822 1.314 25818 3742 1 16 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.605 0.503 25818 3743 1 16 . 1 1 36 36 ILE C C 36 174.975 174.975 175.707 -0.732 25818 3744 1 16 . 1 1 36 36 ILE CA C 36 60.863 60.863 64.361 -3.498 25818 3745 1 16 . 1 1 36 36 ILE CB C 36 39.010 39.010 36.966 2.044 25818 3746 1 16 . 1 1 36 36 ILE H H 36 7.686 7.686 8.110 -0.424 25818 3747 1 16 . 1 1 37 37 ALA N N 37 127.555 127.555 122.521 5.034 25818 3748 1 16 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.811 -0.298 25818 3749 1 16 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.297 0.140 25818 3750 1 16 . 1 1 37 37 ALA CB C 37 18.317 18.317 19.414 -1.097 25818 3751 1 16 . 1 1 37 37 ALA H H 37 8.169 8.169 8.406 -0.237 25818 3752 1 16 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.689 -0.304 25818 3753 1 16 . 1 1 38 38 PRO C C 38 176.643 176.643 176.425 0.218 25818 3754 1 16 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.335 0.663 25818 3755 1 16 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.388 -0.539 25818 3756 1 16 . 1 1 39 39 ARG N N 39 121.037 121.037 118.911 2.126 25818 3757 1 16 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.549 -0.272 25818 3758 1 16 . 1 1 39 39 ARG C C 39 176.026 176.026 175.841 0.185 25818 3759 1 16 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.132 0.676 25818 3760 1 16 . 1 1 39 39 ARG CB C 39 31.178 31.178 31.040 0.139 25818 3761 1 16 . 1 1 39 39 ARG H H 39 8.311 8.311 8.192 0.119 25818 3762 1 16 . 1 1 40 40 GLU N N 40 122.834 122.834 124.300 -1.466 25818 3763 1 16 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.308 -0.024 25818 3764 1 16 . 1 1 40 40 GLU CA C 40 54.336 54.336 55.050 -0.714 25818 3765 1 16 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.776 -0.171 25818 3766 1 16 . 1 1 40 40 GLU H H 40 8.346 8.346 8.603 -0.257 25818 3767 1 16 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.291 0.041 25818 3768 1 16 . 1 1 41 41 PRO C C 41 177.496 177.496 177.012 0.484 25818 3769 1 16 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.628 0.165 25818 3770 1 16 . 1 1 41 41 PRO CB C 41 31.794 31.794 30.774 1.020 25818 3771 1 16 . 1 1 42 42 GLY N N 42 108.890 108.890 113.391 -4.501 25818 3772 1 16 . 1 1 42 42 GLY C C 42 173.808 173.808 174.418 -0.610 25818 3773 1 16 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.895 0.338 25818 3774 1 16 . 1 1 42 42 GLY H H 42 8.412 8.412 8.210 0.202 25818 3775 1 16 . 1 1 43 43 ALA N N 43 123.534 123.534 122.736 0.798 25818 3776 1 16 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.119 0.178 25818 3777 1 16 . 1 1 43 43 ALA C C 43 177.567 177.567 177.791 -0.224 25818 3778 1 16 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.955 -0.469 25818 3779 1 16 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.352 0.072 25818 3780 1 16 . 1 1 43 43 ALA H H 43 7.929 7.929 7.374 0.555 25818 3781 1 16 . 1 1 44 44 VAL N N 44 118.351 118.351 123.145 -4.794 25818 3782 1 16 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.063 0.055 25818 3783 1 16 . 1 1 44 44 VAL C C 44 175.647 175.647 176.373 -0.726 25818 3784 1 16 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.193 -0.133 25818 3785 1 16 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.227 0.674 25818 3786 1 16 . 1 1 44 44 VAL H H 44 7.985 7.985 8.025 -0.040 25818 3787 1 16 . 1 1 45 45 SER N N 45 119.089 119.089 121.985 -2.896 25818 3788 1 16 . 1 1 45 45 SER HA H 45 4.394 4.394 4.423 -0.029 25818 3789 1 16 . 1 1 45 45 SER C C 45 172.840 172.840 173.704 -0.864 25818 3790 1 16 . 1 1 45 45 SER CA C 45 57.993 57.993 58.885 -0.892 25818 3791 1 16 . 1 1 45 45 SER CB C 45 64.261 64.261 63.441 0.821 25818 3792 1 16 . 1 1 45 45 SER H H 45 8.081 8.081 8.448 -0.367 25818 3793 1 17 . 1 1 2 2 SER N N 2 115.072 115.072 114.305 0.767 25818 3794 1 17 . 1 1 2 2 SER HA H 2 4.322 4.322 3.954 0.368 25818 3795 1 17 . 1 1 2 2 SER C C 2 175.102 175.102 175.652 -0.550 25818 3796 1 17 . 1 1 2 2 SER CA C 2 58.862 58.862 60.750 -1.888 25818 3797 1 17 . 1 1 2 2 SER CB C 2 63.783 63.783 61.230 2.553 25818 3798 1 17 . 1 1 2 2 SER H H 2 8.287 8.287 8.622 -0.335 25818 3799 1 17 . 1 1 3 3 LYS N N 3 122.944 122.944 120.910 2.034 25818 3800 1 17 . 1 1 3 3 LYS HA H 3 4.223 4.223 3.930 0.293 25818 3801 1 17 . 1 1 3 3 LYS C C 3 177.259 177.259 178.495 -1.236 25818 3802 1 17 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.263 -1.779 25818 3803 1 17 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.070 0.160 25818 3804 1 17 . 1 1 3 3 LYS H H 3 8.418 8.418 8.308 0.110 25818 3805 1 17 . 1 1 4 4 GLU N N 4 119.651 119.651 119.722 -0.071 25818 3806 1 17 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.169 -0.083 25818 3807 1 17 . 1 1 4 4 GLU C C 4 177.164 177.164 178.897 -1.733 25818 3808 1 17 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.094 -0.220 25818 3809 1 17 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.008 0.399 25818 3810 1 17 . 1 1 4 4 GLU H H 4 8.583 8.583 8.660 -0.077 25818 3811 1 17 . 1 1 5 5 LEU N N 5 119.754 119.754 120.427 -0.673 25818 3812 1 17 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.998 0.171 25818 3813 1 17 . 1 1 5 5 LEU C C 5 178.517 178.517 179.313 -0.796 25818 3814 1 17 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.005 -1.369 25818 3815 1 17 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.638 0.292 25818 3816 1 17 . 1 1 5 5 LEU H H 5 8.069 8.069 7.962 0.107 25818 3817 1 17 . 1 1 6 6 GLU N N 6 121.615 121.615 119.961 1.654 25818 3818 1 17 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.964 0.124 25818 3819 1 17 . 1 1 6 6 GLU C C 6 177.306 177.306 179.270 -1.964 25818 3820 1 17 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.774 -0.766 25818 3821 1 17 . 1 1 6 6 GLU H H 6 8.367 8.367 8.425 -0.058 25818 3822 1 17 . 1 1 7 7 LEU N N 7 119.398 119.398 120.708 -1.310 25818 3823 1 17 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.267 -0.441 25818 3824 1 17 . 1 1 7 7 LEU H H 7 8.215 8.215 7.676 0.539 25818 3825 1 17 . 1 1 8 8 ILE N N 8 120.843 120.843 118.788 2.055 25818 3826 1 17 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.657 -0.355 25818 3827 1 17 . 1 1 8 8 ILE H H 8 8.518 8.518 7.999 0.519 25818 3828 1 17 . 1 1 9 9 THR N N 9 115.829 115.829 117.028 -1.199 25818 3829 1 17 . 1 1 9 9 THR CA C 9 67.586 67.586 67.025 0.561 25818 3830 1 17 . 1 1 9 9 THR H H 9 7.782 7.782 8.048 -0.266 25818 3831 1 17 . 1 1 10 10 LEU N N 10 119.886 119.886 121.920 -2.034 25818 3832 1 17 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.065 -0.111 25818 3833 1 17 . 1 1 10 10 LEU C C 10 177.875 177.875 178.909 -1.034 25818 3834 1 17 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.292 0.192 25818 3835 1 17 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.199 0.763 25818 3836 1 17 . 1 1 10 10 LEU H H 10 8.086 8.086 8.067 0.019 25818 3837 1 17 . 1 1 11 11 THR N N 11 114.351 114.351 116.513 -2.162 25818 3838 1 17 . 1 1 11 11 THR HA H 11 4.220 4.220 4.033 0.187 25818 3839 1 17 . 1 1 11 11 THR CA C 11 67.939 67.939 67.604 0.335 25818 3840 1 17 . 1 1 11 11 THR H H 11 8.033 8.033 8.100 -0.067 25818 3841 1 17 . 1 1 12 12 VAL N N 12 120.398 120.398 121.325 -0.927 25818 3842 1 17 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.620 -0.052 25818 3843 1 17 . 1 1 12 12 VAL C C 12 177.733 177.733 177.978 -0.245 25818 3844 1 17 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.598 0.543 25818 3845 1 17 . 1 1 12 12 VAL H H 12 8.263 8.263 8.321 -0.058 25818 3846 1 17 . 1 1 13 13 GLY N N 13 106.524 106.524 108.331 -1.807 25818 3847 1 17 . 1 1 13 13 GLY C C 13 174.414 174.414 175.758 -1.344 25818 3848 1 17 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.117 0.719 25818 3849 1 17 . 1 1 13 13 GLY H H 13 8.563 8.563 8.128 0.435 25818 3850 1 17 . 1 1 14 14 PHE N N 14 120.589 120.589 123.066 -2.477 25818 3851 1 17 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.369 -0.159 25818 3852 1 17 . 1 1 14 14 PHE C C 14 177.591 177.591 177.299 0.292 25818 3853 1 17 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.859 1.843 25818 3854 1 17 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.256 -0.340 25818 3855 1 17 . 1 1 14 14 PHE H H 14 8.678 8.678 8.519 0.159 25818 3856 1 17 . 1 1 15 15 GLY N N 15 106.691 106.691 107.917 -1.226 25818 3857 1 17 . 1 1 15 15 GLY C C 15 174.533 174.533 175.838 -1.305 25818 3858 1 17 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.112 0.595 25818 3859 1 17 . 1 1 15 15 GLY H H 15 8.582 8.582 8.470 0.112 25818 3860 1 17 . 1 1 16 16 ILE N N 16 120.894 120.894 122.784 -1.890 25818 3861 1 17 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.799 -0.159 25818 3862 1 17 . 1 1 16 16 ILE C C 16 178.658 178.658 177.549 1.109 25818 3863 1 17 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.703 0.727 25818 3864 1 17 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.065 -0.877 25818 3865 1 17 . 1 1 16 16 ILE H H 16 8.599 8.599 7.669 0.930 25818 3866 1 17 . 1 1 17 17 LEU N N 17 123.149 123.149 120.865 2.284 25818 3867 1 17 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.030 -0.070 25818 3868 1 17 . 1 1 17 17 LEU C C 17 178.207 178.207 179.122 -0.915 25818 3869 1 17 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.230 0.631 25818 3870 1 17 . 1 1 17 17 LEU CB C 17 41.613 41.613 40.940 0.673 25818 3871 1 17 . 1 1 17 17 LEU H H 17 8.206 8.206 7.673 0.533 25818 3872 1 17 . 1 1 18 18 ILE N N 18 117.975 117.975 119.340 -1.365 25818 3873 1 17 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.503 0.059 25818 3874 1 17 . 1 1 18 18 ILE C C 18 177.738 177.738 178.409 -0.671 25818 3875 1 17 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.861 -0.292 25818 3876 1 17 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.781 -0.269 25818 3877 1 17 . 1 1 18 18 ILE H H 18 8.455 8.455 7.550 0.905 25818 3878 1 17 . 1 1 19 19 PHE N N 19 119.303 119.303 120.219 -0.916 25818 3879 1 17 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.023 0.046 25818 3880 1 17 . 1 1 19 19 PHE C C 19 177.069 177.069 177.739 -0.670 25818 3881 1 17 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.074 -0.123 25818 3882 1 17 . 1 1 19 19 PHE CB C 19 39.118 39.118 39.182 -0.064 25818 3883 1 17 . 1 1 19 19 PHE H H 19 8.609 8.609 7.940 0.669 25818 3884 1 17 . 1 1 20 20 SER N N 20 114.834 114.834 116.021 -1.187 25818 3885 1 17 . 1 1 20 20 SER HA H 20 4.010 4.010 4.182 -0.172 25818 3886 1 17 . 1 1 20 20 SER C C 20 176.951 176.951 176.521 0.430 25818 3887 1 17 . 1 1 20 20 SER CA C 20 63.441 63.441 61.690 1.751 25818 3888 1 17 . 1 1 20 20 SER H H 20 8.571 8.571 8.142 0.429 25818 3889 1 17 . 1 1 21 21 LEU N N 21 124.956 124.956 123.158 1.798 25818 3890 1 17 . 1 1 21 21 LEU HA H 21 4.052 4.052 3.987 0.065 25818 3891 1 17 . 1 1 21 21 LEU C C 21 178.041 178.041 178.334 -0.293 25818 3892 1 17 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.179 0.152 25818 3893 1 17 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.082 -0.311 25818 3894 1 17 . 1 1 21 21 LEU H H 21 8.193 8.193 8.339 -0.146 25818 3895 1 17 . 1 1 22 22 ILE N N 22 119.365 119.365 118.744 0.621 25818 3896 1 17 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.538 0.064 25818 3897 1 17 . 1 1 22 22 ILE C C 22 178.539 178.539 177.787 0.752 25818 3898 1 17 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.570 0.393 25818 3899 1 17 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.663 0.201 25818 3900 1 17 . 1 1 22 22 ILE H H 22 8.131 8.131 7.465 0.666 25818 3901 1 17 . 1 1 23 23 VAL N N 23 119.397 119.397 120.840 -1.443 25818 3902 1 17 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.482 -0.140 25818 3903 1 17 . 1 1 23 23 VAL C C 23 177.330 177.330 178.122 -0.792 25818 3904 1 17 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.415 0.268 25818 3905 1 17 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.617 -0.246 25818 3906 1 17 . 1 1 23 23 VAL H H 23 8.440 8.440 7.569 0.871 25818 3907 1 17 . 1 1 24 24 THR N N 24 114.854 114.854 116.429 -1.575 25818 3908 1 17 . 1 1 24 24 THR HA H 24 4.172 4.172 3.935 0.237 25818 3909 1 17 . 1 1 24 24 THR C C 24 176.382 176.382 176.485 -0.103 25818 3910 1 17 . 1 1 24 24 THR CA C 24 68.010 68.010 67.284 0.726 25818 3911 1 17 . 1 1 24 24 THR H H 24 7.969 7.969 8.245 -0.276 25818 3912 1 17 . 1 1 25 25 TYR N N 25 121.421 121.421 123.683 -2.262 25818 3913 1 17 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.144 -0.134 25818 3914 1 17 . 1 1 25 25 TYR C C 25 177.425 177.425 177.331 0.094 25818 3915 1 17 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.287 0.149 25818 3916 1 17 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.471 0.295 25818 3917 1 17 . 1 1 25 25 TYR H H 25 8.364 8.364 7.937 0.427 25818 3918 1 17 . 1 1 26 26 CYS N N 26 116.170 116.170 118.202 -2.032 25818 3919 1 17 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.082 -0.143 25818 3920 1 17 . 1 1 26 26 CYS C C 26 176.335 176.335 177.291 -0.956 25818 3921 1 17 . 1 1 26 26 CYS CA C 26 64.243 64.243 63.303 0.940 25818 3922 1 17 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.282 1.188 25818 3923 1 17 . 1 1 26 26 CYS H H 26 8.323 8.323 8.611 -0.288 25818 3924 1 17 . 1 1 27 27 ILE N N 27 116.693 116.693 121.109 -4.416 25818 3925 1 17 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.523 0.273 25818 3926 1 17 . 1 1 27 27 ILE C C 27 176.737 176.737 177.689 -0.952 25818 3927 1 17 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.700 -1.593 25818 3928 1 17 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.685 0.190 25818 3929 1 17 . 1 1 27 27 ILE H H 27 8.259 8.259 8.007 0.252 25818 3930 1 17 . 1 1 28 28 ASN N N 28 117.531 117.531 118.130 -0.599 25818 3931 1 17 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.276 0.153 25818 3932 1 17 . 1 1 28 28 ASN C C 28 175.766 175.766 177.372 -1.606 25818 3933 1 17 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.218 -0.366 25818 3934 1 17 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.856 1.908 25818 3935 1 17 . 1 1 28 28 ASN H H 28 7.853 7.853 7.762 0.091 25818 3936 1 17 . 1 1 29 29 ALA N N 29 120.505 120.505 122.743 -2.238 25818 3937 1 17 . 1 1 29 29 ALA HA H 29 4.118 4.118 3.963 0.155 25818 3938 1 17 . 1 1 29 29 ALA C C 29 177.638 177.638 179.300 -1.662 25818 3939 1 17 . 1 1 29 29 ALA CA C 29 53.303 53.303 55.063 -1.760 25818 3940 1 17 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.234 0.751 25818 3941 1 17 . 1 1 29 29 ALA H H 29 8.050 8.050 7.731 0.319 25818 3942 1 17 . 1 1 30 30 LYS N N 30 116.476 116.476 117.453 -0.977 25818 3943 1 17 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.049 0.278 25818 3944 1 17 . 1 1 30 30 LYS C C 30 176.192 176.192 177.661 -1.469 25818 3945 1 17 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.857 -3.364 25818 3946 1 17 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.345 -0.514 25818 3947 1 17 . 1 1 30 30 LYS H H 30 7.771 7.771 7.908 -0.137 25818 3948 1 17 . 1 1 31 31 ALA N N 31 122.457 122.457 119.328 3.129 25818 3949 1 17 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.542 -0.413 25818 3950 1 17 . 1 1 31 31 ALA C C 31 177.401 177.401 178.503 -1.102 25818 3951 1 17 . 1 1 31 31 ALA CA C 31 53.738 53.738 53.784 -0.046 25818 3952 1 17 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.543 -0.281 25818 3953 1 17 . 1 1 31 31 ALA H H 31 7.924 7.924 7.725 0.199 25818 3954 1 17 . 1 1 32 32 ASP N N 32 116.883 116.883 121.081 -4.198 25818 3955 1 17 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.524 -0.099 25818 3956 1 17 . 1 1 32 32 ASP C C 32 176.690 176.690 178.306 -1.616 25818 3957 1 17 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.412 -2.109 25818 3958 1 17 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.449 -0.229 25818 3959 1 17 . 1 1 32 32 ASP H H 32 8.401 8.401 7.408 0.993 25818 3960 1 17 . 1 1 33 33 VAL N N 33 116.175 116.175 118.481 -2.306 25818 3961 1 17 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.756 0.326 25818 3962 1 17 . 1 1 33 33 VAL C C 33 175.552 175.552 176.947 -1.395 25818 3963 1 17 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.787 -3.026 25818 3964 1 17 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.108 1.298 25818 3965 1 17 . 1 1 33 33 VAL H H 33 7.665 7.665 7.740 -0.075 25818 3966 1 17 . 1 1 34 34 LEU N N 34 120.012 120.012 119.146 0.866 25818 3967 1 17 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.306 -0.166 25818 3968 1 17 . 1 1 34 34 LEU C C 34 176.382 176.382 178.127 -1.745 25818 3969 1 17 . 1 1 34 34 LEU CA C 34 55.664 55.664 57.250 -1.586 25818 3970 1 17 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.679 -0.194 25818 3971 1 17 . 1 1 34 34 LEU H H 34 7.795 7.795 7.151 0.644 25818 3972 1 17 . 1 1 35 35 PHE N N 35 116.572 116.572 116.066 0.506 25818 3973 1 17 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.339 0.256 25818 3974 1 17 . 1 1 35 35 PHE C C 35 174.960 174.960 176.368 -1.408 25818 3975 1 17 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.331 -2.597 25818 3976 1 17 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.402 -0.113 25818 3977 1 17 . 1 1 35 35 PHE H H 35 7.793 7.793 7.854 -0.061 25818 3978 1 17 . 1 1 36 36 ILE N N 36 119.136 119.136 119.908 -0.772 25818 3979 1 17 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.362 -0.254 25818 3980 1 17 . 1 1 36 36 ILE C C 36 174.975 174.975 176.284 -1.309 25818 3981 1 17 . 1 1 36 36 ILE CA C 36 60.863 60.863 59.609 1.254 25818 3982 1 17 . 1 1 36 36 ILE CB C 36 39.010 39.010 37.887 1.123 25818 3983 1 17 . 1 1 36 36 ILE H H 36 7.686 7.686 8.214 -0.528 25818 3984 1 17 . 1 1 37 37 ALA N N 37 127.555 127.555 123.849 3.706 25818 3985 1 17 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.317 0.196 25818 3986 1 17 . 1 1 37 37 ALA CA C 37 50.437 50.437 51.505 -1.068 25818 3987 1 17 . 1 1 37 37 ALA CB C 37 18.317 18.317 17.600 0.717 25818 3988 1 17 . 1 1 37 37 ALA H H 37 8.169 8.169 8.115 0.054 25818 3989 1 17 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.210 0.175 25818 3990 1 17 . 1 1 38 38 PRO C C 38 176.643 176.643 176.121 0.522 25818 3991 1 17 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.531 -0.533 25818 3992 1 17 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.074 -0.225 25818 3993 1 17 . 1 1 39 39 ARG N N 39 121.037 121.037 121.355 -0.318 25818 3994 1 17 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.576 -0.299 25818 3995 1 17 . 1 1 39 39 ARG C C 39 176.026 176.026 175.878 0.148 25818 3996 1 17 . 1 1 39 39 ARG CA C 39 55.808 55.808 56.117 -0.309 25818 3997 1 17 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.708 0.470 25818 3998 1 17 . 1 1 39 39 ARG H H 39 8.311 8.311 8.291 0.020 25818 3999 1 17 . 1 1 40 40 GLU N N 40 122.834 122.834 124.447 -1.613 25818 4000 1 17 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.501 -0.217 25818 4001 1 17 . 1 1 40 40 GLU CA C 40 54.336 54.336 54.428 -0.092 25818 4002 1 17 . 1 1 40 40 GLU CB C 40 29.606 29.606 30.236 -0.630 25818 4003 1 17 . 1 1 40 40 GLU H H 40 8.346 8.346 8.511 -0.165 25818 4004 1 17 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.377 -0.045 25818 4005 1 17 . 1 1 41 41 PRO C C 41 177.496 177.496 176.874 0.622 25818 4006 1 17 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.280 0.513 25818 4007 1 17 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.463 -0.669 25818 4008 1 17 . 1 1 42 42 GLY N N 42 108.890 108.890 106.365 2.525 25818 4009 1 17 . 1 1 42 42 GLY C C 42 173.808 173.808 174.041 -0.233 25818 4010 1 17 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.533 0.700 25818 4011 1 17 . 1 1 42 42 GLY H H 42 8.412 8.412 7.826 0.586 25818 4012 1 17 . 1 1 43 43 ALA N N 43 123.534 123.534 119.809 3.725 25818 4013 1 17 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.017 0.280 25818 4014 1 17 . 1 1 43 43 ALA C C 43 177.567 177.567 176.837 0.730 25818 4015 1 17 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.523 -0.037 25818 4016 1 17 . 1 1 43 43 ALA CB C 43 19.425 19.425 17.905 1.520 25818 4017 1 17 . 1 1 43 43 ALA H H 43 7.929 7.929 7.932 -0.003 25818 4018 1 17 . 1 1 44 44 VAL N N 44 118.351 118.351 118.905 -0.554 25818 4019 1 17 . 1 1 44 44 VAL HA H 44 4.118 4.118 3.885 0.233 25818 4020 1 17 . 1 1 44 44 VAL C C 44 175.647 175.647 177.266 -1.619 25818 4021 1 17 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.800 -0.740 25818 4022 1 17 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.913 0.988 25818 4023 1 17 . 1 1 44 44 VAL H H 44 7.985 7.985 7.666 0.319 25818 4024 1 17 . 1 1 45 45 SER N N 45 119.089 119.089 120.121 -1.032 25818 4025 1 17 . 1 1 45 45 SER HA H 45 4.394 4.394 4.252 0.142 25818 4026 1 17 . 1 1 45 45 SER C C 45 172.840 172.840 174.202 -1.362 25818 4027 1 17 . 1 1 45 45 SER CA C 45 57.993 57.993 59.126 -1.133 25818 4028 1 17 . 1 1 45 45 SER CB C 45 64.261 64.261 63.606 0.655 25818 4029 1 17 . 1 1 45 45 SER H H 45 8.081 8.081 8.137 -0.056 25818 4030 1 18 . 1 1 2 2 SER N N 2 115.072 115.072 114.943 0.129 25818 4031 1 18 . 1 1 2 2 SER HA H 2 4.322 4.322 4.138 0.184 25818 4032 1 18 . 1 1 2 2 SER C C 2 175.102 175.102 176.032 -0.930 25818 4033 1 18 . 1 1 2 2 SER CA C 2 58.862 58.862 60.124 -1.262 25818 4034 1 18 . 1 1 2 2 SER CB C 2 63.783 63.783 62.740 1.043 25818 4035 1 18 . 1 1 2 2 SER H H 2 8.287 8.287 8.585 -0.298 25818 4036 1 18 . 1 1 3 3 LYS N N 3 122.944 122.944 122.184 0.760 25818 4037 1 18 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.035 0.188 25818 4038 1 18 . 1 1 3 3 LYS C C 3 177.259 177.259 178.707 -1.448 25818 4039 1 18 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.341 -1.857 25818 4040 1 18 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.217 0.013 25818 4041 1 18 . 1 1 3 3 LYS H H 3 8.418 8.418 8.320 0.098 25818 4042 1 18 . 1 1 4 4 GLU N N 4 119.651 119.651 119.421 0.230 25818 4043 1 18 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.091 -0.005 25818 4044 1 18 . 1 1 4 4 GLU C C 4 177.164 177.164 178.651 -1.487 25818 4045 1 18 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.141 -0.267 25818 4046 1 18 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.055 0.351 25818 4047 1 18 . 1 1 4 4 GLU H H 4 8.583 8.583 8.024 0.559 25818 4048 1 18 . 1 1 5 5 LEU N N 5 119.754 119.754 121.168 -1.414 25818 4049 1 18 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.978 0.191 25818 4050 1 18 . 1 1 5 5 LEU C C 5 178.517 178.517 179.444 -0.927 25818 4051 1 18 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.930 -1.294 25818 4052 1 18 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.861 0.069 25818 4053 1 18 . 1 1 5 5 LEU H H 5 8.069 8.069 7.757 0.312 25818 4054 1 18 . 1 1 6 6 GLU N N 6 121.615 121.615 119.535 2.080 25818 4055 1 18 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.092 -0.004 25818 4056 1 18 . 1 1 6 6 GLU C C 6 177.306 177.306 179.098 -1.792 25818 4057 1 18 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.298 -0.290 25818 4058 1 18 . 1 1 6 6 GLU H H 6 8.367 8.367 7.885 0.482 25818 4059 1 18 . 1 1 7 7 LEU N N 7 119.398 119.398 121.212 -1.814 25818 4060 1 18 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.202 -0.376 25818 4061 1 18 . 1 1 7 7 LEU H H 7 8.215 8.215 7.944 0.271 25818 4062 1 18 . 1 1 8 8 ILE N N 8 120.843 120.843 119.045 1.798 25818 4063 1 18 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.721 -0.419 25818 4064 1 18 . 1 1 8 8 ILE H H 8 8.518 8.518 7.857 0.661 25818 4065 1 18 . 1 1 9 9 THR N N 9 115.829 115.829 116.553 -0.724 25818 4066 1 18 . 1 1 9 9 THR CA C 9 67.586 67.586 66.357 1.229 25818 4067 1 18 . 1 1 9 9 THR H H 9 7.782 7.782 7.745 0.037 25818 4068 1 18 . 1 1 10 10 LEU N N 10 119.886 119.886 122.036 -2.150 25818 4069 1 18 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.040 -0.086 25818 4070 1 18 . 1 1 10 10 LEU C C 10 177.875 177.875 178.428 -0.553 25818 4071 1 18 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.727 -0.243 25818 4072 1 18 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.922 0.041 25818 4073 1 18 . 1 1 10 10 LEU H H 10 8.086 8.086 8.730 -0.644 25818 4074 1 18 . 1 1 11 11 THR N N 11 114.351 114.351 116.071 -1.720 25818 4075 1 18 . 1 1 11 11 THR HA H 11 4.220 4.220 4.056 0.164 25818 4076 1 18 . 1 1 11 11 THR CA C 11 67.939 67.939 66.995 0.944 25818 4077 1 18 . 1 1 11 11 THR H H 11 8.033 8.033 8.345 -0.312 25818 4078 1 18 . 1 1 12 12 VAL N N 12 120.398 120.398 120.301 0.097 25818 4079 1 18 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.903 -0.335 25818 4080 1 18 . 1 1 12 12 VAL C C 12 177.733 177.733 178.224 -0.491 25818 4081 1 18 . 1 1 12 12 VAL CA C 12 67.141 67.141 65.411 1.730 25818 4082 1 18 . 1 1 12 12 VAL H H 12 8.263 8.263 8.237 0.026 25818 4083 1 18 . 1 1 13 13 GLY N N 13 106.524 106.524 109.347 -2.823 25818 4084 1 18 . 1 1 13 13 GLY C C 13 174.414 174.414 175.758 -1.344 25818 4085 1 18 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.214 0.622 25818 4086 1 18 . 1 1 13 13 GLY H H 13 8.563 8.563 8.104 0.459 25818 4087 1 18 . 1 1 14 14 PHE N N 14 120.589 120.589 122.819 -2.230 25818 4088 1 18 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.443 -0.233 25818 4089 1 18 . 1 1 14 14 PHE C C 14 177.591 177.591 177.174 0.417 25818 4090 1 18 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.144 1.558 25818 4091 1 18 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.419 -0.503 25818 4092 1 18 . 1 1 14 14 PHE H H 14 8.678 8.678 8.304 0.374 25818 4093 1 18 . 1 1 15 15 GLY N N 15 106.691 106.691 108.064 -1.373 25818 4094 1 18 . 1 1 15 15 GLY C C 15 174.533 174.533 176.045 -1.512 25818 4095 1 18 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.121 0.586 25818 4096 1 18 . 1 1 15 15 GLY H H 15 8.582 8.582 8.184 0.398 25818 4097 1 18 . 1 1 16 16 ILE N N 16 120.894 120.894 122.812 -1.918 25818 4098 1 18 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.972 -0.332 25818 4099 1 18 . 1 1 16 16 ILE C C 16 178.658 178.658 177.562 1.096 25818 4100 1 18 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.970 1.460 25818 4101 1 18 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.610 -0.422 25818 4102 1 18 . 1 1 16 16 ILE H H 16 8.599 8.599 7.912 0.687 25818 4103 1 18 . 1 1 17 17 LEU N N 17 123.149 123.149 121.601 1.548 25818 4104 1 18 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.012 -0.052 25818 4105 1 18 . 1 1 17 17 LEU C C 17 178.207 178.207 178.724 -0.517 25818 4106 1 18 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.528 0.333 25818 4107 1 18 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.977 -0.364 25818 4108 1 18 . 1 1 17 17 LEU H H 17 8.206 8.206 7.702 0.504 25818 4109 1 18 . 1 1 18 18 ILE N N 18 117.975 117.975 119.205 -1.230 25818 4110 1 18 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.430 0.132 25818 4111 1 18 . 1 1 18 18 ILE C C 18 177.738 177.738 178.115 -0.377 25818 4112 1 18 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.786 -0.217 25818 4113 1 18 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.643 -0.131 25818 4114 1 18 . 1 1 18 18 ILE H H 18 8.455 8.455 7.444 1.011 25818 4115 1 18 . 1 1 19 19 PHE N N 19 119.303 119.303 119.441 -0.138 25818 4116 1 18 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.069 0.000 25818 4117 1 18 . 1 1 19 19 PHE C C 19 177.069 177.069 178.199 -1.130 25818 4118 1 18 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.164 -0.213 25818 4119 1 18 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.568 0.550 25818 4120 1 18 . 1 1 19 19 PHE H H 19 8.609 8.609 7.870 0.739 25818 4121 1 18 . 1 1 20 20 SER N N 20 114.834 114.834 116.071 -1.237 25818 4122 1 18 . 1 1 20 20 SER HA H 20 4.010 4.010 4.202 -0.192 25818 4123 1 18 . 1 1 20 20 SER C C 20 176.951 176.951 176.573 0.378 25818 4124 1 18 . 1 1 20 20 SER CA C 20 63.441 63.441 61.586 1.855 25818 4125 1 18 . 1 1 20 20 SER H H 20 8.571 8.571 8.010 0.561 25818 4126 1 18 . 1 1 21 21 LEU N N 21 124.956 124.956 123.548 1.408 25818 4127 1 18 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.003 0.049 25818 4128 1 18 . 1 1 21 21 LEU C C 21 178.041 178.041 178.438 -0.397 25818 4129 1 18 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.270 0.061 25818 4130 1 18 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.068 -0.297 25818 4131 1 18 . 1 1 21 21 LEU H H 21 8.193 8.193 8.412 -0.219 25818 4132 1 18 . 1 1 22 22 ILE N N 22 119.365 119.365 118.774 0.591 25818 4133 1 18 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.665 -0.063 25818 4134 1 18 . 1 1 22 22 ILE C C 22 178.539 178.539 178.020 0.519 25818 4135 1 18 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.504 0.458 25818 4136 1 18 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.777 0.087 25818 4137 1 18 . 1 1 22 22 ILE H H 22 8.131 8.131 7.647 0.484 25818 4138 1 18 . 1 1 23 23 VAL N N 23 119.397 119.397 120.787 -1.390 25818 4139 1 18 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.704 -0.362 25818 4140 1 18 . 1 1 23 23 VAL C C 23 177.330 177.330 178.188 -0.858 25818 4141 1 18 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.739 0.944 25818 4142 1 18 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.294 0.077 25818 4143 1 18 . 1 1 23 23 VAL H H 23 8.440 8.440 7.652 0.788 25818 4144 1 18 . 1 1 24 24 THR N N 24 114.854 114.854 116.254 -1.400 25818 4145 1 18 . 1 1 24 24 THR HA H 24 4.172 4.172 3.954 0.218 25818 4146 1 18 . 1 1 24 24 THR C C 24 176.382 176.382 176.284 0.098 25818 4147 1 18 . 1 1 24 24 THR CA C 24 68.010 68.010 67.104 0.906 25818 4148 1 18 . 1 1 24 24 THR H H 24 7.969 7.969 8.624 -0.655 25818 4149 1 18 . 1 1 25 25 TYR N N 25 121.421 121.421 123.388 -1.967 25818 4150 1 18 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.159 -0.149 25818 4151 1 18 . 1 1 25 25 TYR C C 25 177.425 177.425 177.414 0.011 25818 4152 1 18 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.147 0.289 25818 4153 1 18 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.317 0.449 25818 4154 1 18 . 1 1 25 25 TYR H H 25 8.364 8.364 7.869 0.495 25818 4155 1 18 . 1 1 26 26 CYS N N 26 116.170 116.170 117.854 -1.684 25818 4156 1 18 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.996 -0.057 25818 4157 1 18 . 1 1 26 26 CYS C C 26 176.335 176.335 177.351 -1.016 25818 4158 1 18 . 1 1 26 26 CYS CA C 26 64.243 64.243 63.536 0.707 25818 4159 1 18 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.489 0.981 25818 4160 1 18 . 1 1 26 26 CYS H H 26 8.323 8.323 7.942 0.381 25818 4161 1 18 . 1 1 27 27 ILE N N 27 116.693 116.693 121.234 -4.541 25818 4162 1 18 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.591 0.205 25818 4163 1 18 . 1 1 27 27 ILE C C 27 176.737 176.737 177.611 -0.874 25818 4164 1 18 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.505 -1.398 25818 4165 1 18 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.851 0.024 25818 4166 1 18 . 1 1 27 27 ILE H H 27 8.259 8.259 8.005 0.254 25818 4167 1 18 . 1 1 28 28 ASN N N 28 117.531 117.531 118.229 -0.698 25818 4168 1 18 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.296 0.133 25818 4169 1 18 . 1 1 28 28 ASN C C 28 175.766 175.766 175.980 -0.214 25818 4170 1 18 . 1 1 28 28 ASN CA C 28 55.852 55.852 55.870 -0.018 25818 4171 1 18 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.885 1.879 25818 4172 1 18 . 1 1 28 28 ASN H H 28 7.853 7.853 8.174 -0.321 25818 4173 1 18 . 1 1 29 29 ALA N N 29 120.505 120.505 120.423 0.082 25818 4174 1 18 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.007 0.111 25818 4175 1 18 . 1 1 29 29 ALA C C 29 177.638 177.638 179.586 -1.948 25818 4176 1 18 . 1 1 29 29 ALA CA C 29 53.303 53.303 53.894 -0.591 25818 4177 1 18 . 1 1 29 29 ALA CB C 29 18.985 18.985 19.247 -0.262 25818 4178 1 18 . 1 1 29 29 ALA H H 29 8.050 8.050 7.328 0.722 25818 4179 1 18 . 1 1 30 30 LYS N N 30 116.476 116.476 119.049 -2.573 25818 4180 1 18 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.041 0.286 25818 4181 1 18 . 1 1 30 30 LYS C C 30 176.192 176.192 178.625 -2.433 25818 4182 1 18 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.405 -2.912 25818 4183 1 18 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.125 -0.294 25818 4184 1 18 . 1 1 30 30 LYS H H 30 7.771 7.771 7.773 -0.002 25818 4185 1 18 . 1 1 31 31 ALA N N 31 122.457 122.457 122.431 0.026 25818 4186 1 18 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.170 -0.041 25818 4187 1 18 . 1 1 31 31 ALA C C 31 177.401 177.401 178.847 -1.446 25818 4188 1 18 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.479 -0.741 25818 4189 1 18 . 1 1 31 31 ALA CB C 31 19.262 19.262 17.985 1.277 25818 4190 1 18 . 1 1 31 31 ALA H H 31 7.924 7.924 7.910 0.014 25818 4191 1 18 . 1 1 32 32 ASP N N 32 116.883 116.883 119.408 -2.525 25818 4192 1 18 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.330 0.095 25818 4193 1 18 . 1 1 32 32 ASP C C 32 176.690 176.690 178.323 -1.633 25818 4194 1 18 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.270 -1.968 25818 4195 1 18 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.349 -0.129 25818 4196 1 18 . 1 1 32 32 ASP H H 32 8.401 8.401 7.755 0.646 25818 4197 1 18 . 1 1 33 33 VAL N N 33 116.175 116.175 119.486 -3.311 25818 4198 1 18 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.761 0.321 25818 4199 1 18 . 1 1 33 33 VAL C C 33 175.552 175.552 177.660 -2.108 25818 4200 1 18 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.706 -2.945 25818 4201 1 18 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.861 0.545 25818 4202 1 18 . 1 1 33 33 VAL H H 33 7.665 7.665 7.796 -0.131 25818 4203 1 18 . 1 1 34 34 LEU N N 34 120.012 120.012 118.859 1.153 25818 4204 1 18 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.233 -0.093 25818 4205 1 18 . 1 1 34 34 LEU C C 34 176.382 176.382 178.086 -1.704 25818 4206 1 18 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.552 -0.888 25818 4207 1 18 . 1 1 34 34 LEU CB C 34 42.486 42.486 41.599 0.887 25818 4208 1 18 . 1 1 34 34 LEU H H 34 7.795 7.795 7.853 -0.058 25818 4209 1 18 . 1 1 35 35 PHE N N 35 116.572 116.572 115.378 1.194 25818 4210 1 18 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.374 0.221 25818 4211 1 18 . 1 1 35 35 PHE C C 35 174.960 174.960 177.012 -2.052 25818 4212 1 18 . 1 1 35 35 PHE CA C 35 57.734 57.734 60.133 -2.399 25818 4213 1 18 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.227 0.062 25818 4214 1 18 . 1 1 35 35 PHE H H 35 7.793 7.793 7.926 -0.133 25818 4215 1 18 . 1 1 36 36 ILE N N 36 119.136 119.136 117.908 1.228 25818 4216 1 18 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.073 0.035 25818 4217 1 18 . 1 1 36 36 ILE C C 36 174.975 174.975 176.186 -1.211 25818 4218 1 18 . 1 1 36 36 ILE CA C 36 60.863 60.863 61.908 -1.046 25818 4219 1 18 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.851 0.159 25818 4220 1 18 . 1 1 36 36 ILE H H 36 7.686 7.686 7.533 0.153 25818 4221 1 18 . 1 1 37 37 ALA N N 37 127.555 127.555 122.748 4.807 25818 4222 1 18 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.415 0.098 25818 4223 1 18 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.429 0.008 25818 4224 1 18 . 1 1 37 37 ALA CB C 37 18.317 18.317 17.859 0.458 25818 4225 1 18 . 1 1 37 37 ALA H H 37 8.169 8.169 7.623 0.546 25818 4226 1 18 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.231 0.154 25818 4227 1 18 . 1 1 38 38 PRO C C 38 176.643 176.643 176.197 0.446 25818 4228 1 18 . 1 1 38 38 PRO CA C 38 62.998 62.998 63.650 -0.652 25818 4229 1 18 . 1 1 38 38 PRO CB C 38 31.849 31.849 31.995 -0.146 25818 4230 1 18 . 1 1 39 39 ARG N N 39 121.037 121.037 121.796 -0.759 25818 4231 1 18 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.539 -0.262 25818 4232 1 18 . 1 1 39 39 ARG C C 39 176.026 176.026 175.003 1.023 25818 4233 1 18 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.363 0.445 25818 4234 1 18 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.704 0.474 25818 4235 1 18 . 1 1 39 39 ARG H H 39 8.311 8.311 8.355 -0.044 25818 4236 1 18 . 1 1 40 40 GLU N N 40 122.834 122.834 124.652 -1.818 25818 4237 1 18 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.845 -0.561 25818 4238 1 18 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.859 0.477 25818 4239 1 18 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.164 0.442 25818 4240 1 18 . 1 1 40 40 GLU H H 40 8.346 8.346 8.587 -0.241 25818 4241 1 18 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.500 -0.168 25818 4242 1 18 . 1 1 41 41 PRO C C 41 177.496 177.496 176.542 0.954 25818 4243 1 18 . 1 1 41 41 PRO CA C 41 63.793 63.793 62.893 0.900 25818 4244 1 18 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.923 -0.129 25818 4245 1 18 . 1 1 42 42 GLY N N 42 108.890 108.890 105.751 3.139 25818 4246 1 18 . 1 1 42 42 GLY C C 42 173.808 173.808 173.775 0.033 25818 4247 1 18 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.457 0.776 25818 4248 1 18 . 1 1 42 42 GLY H H 42 8.412 8.412 8.230 0.182 25818 4249 1 18 . 1 1 43 43 ALA N N 43 123.534 123.534 121.137 2.397 25818 4250 1 18 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.060 0.237 25818 4251 1 18 . 1 1 43 43 ALA C C 43 177.567 177.567 175.528 2.039 25818 4252 1 18 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.373 0.113 25818 4253 1 18 . 1 1 43 43 ALA CB C 43 19.425 19.425 18.865 0.560 25818 4254 1 18 . 1 1 43 43 ALA H H 43 7.929 7.929 7.952 -0.023 25818 4255 1 18 . 1 1 44 44 VAL N N 44 118.351 118.351 122.712 -4.361 25818 4256 1 18 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.237 -0.119 25818 4257 1 18 . 1 1 44 44 VAL C C 44 175.647 175.647 175.885 -0.238 25818 4258 1 18 . 1 1 44 44 VAL CA C 44 62.060 62.060 61.569 0.491 25818 4259 1 18 . 1 1 44 44 VAL CB C 44 32.901 32.901 34.226 -1.325 25818 4260 1 18 . 1 1 44 44 VAL H H 44 7.985 7.985 8.044 -0.059 25818 4261 1 18 . 1 1 45 45 SER N N 45 119.089 119.089 120.493 -1.404 25818 4262 1 18 . 1 1 45 45 SER HA H 45 4.394 4.394 4.195 0.199 25818 4263 1 18 . 1 1 45 45 SER C C 45 172.840 172.840 173.894 -1.054 25818 4264 1 18 . 1 1 45 45 SER CA C 45 57.993 57.993 59.192 -1.199 25818 4265 1 18 . 1 1 45 45 SER CB C 45 64.261 64.261 62.993 1.268 25818 4266 1 18 . 1 1 45 45 SER H H 45 8.081 8.081 8.500 -0.419 25818 4267 1 19 . 1 1 2 2 SER N N 2 115.072 115.072 113.914 1.158 25818 4268 1 19 . 1 1 2 2 SER HA H 2 4.322 4.322 4.189 0.133 25818 4269 1 19 . 1 1 2 2 SER C C 2 175.102 175.102 175.000 0.102 25818 4270 1 19 . 1 1 2 2 SER CA C 2 58.862 58.862 58.951 -0.089 25818 4271 1 19 . 1 1 2 2 SER CB C 2 63.783 63.783 62.940 0.843 25818 4272 1 19 . 1 1 2 2 SER H H 2 8.287 8.287 8.189 0.098 25818 4273 1 19 . 1 1 3 3 LYS N N 3 122.944 122.944 121.319 1.625 25818 4274 1 19 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.009 0.214 25818 4275 1 19 . 1 1 3 3 LYS C C 3 177.259 177.259 178.331 -1.072 25818 4276 1 19 . 1 1 3 3 LYS CA C 3 57.484 57.484 58.610 -1.126 25818 4277 1 19 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.359 -0.129 25818 4278 1 19 . 1 1 3 3 LYS H H 3 8.418 8.418 8.429 -0.011 25818 4279 1 19 . 1 1 4 4 GLU N N 4 119.651 119.651 120.049 -0.398 25818 4280 1 19 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.121 -0.035 25818 4281 1 19 . 1 1 4 4 GLU C C 4 177.164 177.164 178.621 -1.457 25818 4282 1 19 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.499 -0.625 25818 4283 1 19 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.161 0.246 25818 4284 1 19 . 1 1 4 4 GLU H H 4 8.583 8.583 8.481 0.102 25818 4285 1 19 . 1 1 5 5 LEU N N 5 119.754 119.754 119.035 0.719 25818 4286 1 19 . 1 1 5 5 LEU HA H 5 4.169 4.169 4.045 0.124 25818 4287 1 19 . 1 1 5 5 LEU C C 5 178.517 178.517 178.854 -0.337 25818 4288 1 19 . 1 1 5 5 LEU CA C 5 56.636 56.636 57.611 -0.975 25818 4289 1 19 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.618 0.312 25818 4290 1 19 . 1 1 5 5 LEU H H 5 8.069 8.069 7.919 0.150 25818 4291 1 19 . 1 1 6 6 GLU N N 6 121.615 121.615 120.283 1.332 25818 4292 1 19 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.936 0.152 25818 4293 1 19 . 1 1 6 6 GLU C C 6 177.306 177.306 179.059 -1.753 25818 4294 1 19 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.779 -0.771 25818 4295 1 19 . 1 1 6 6 GLU H H 6 8.367 8.367 7.943 0.424 25818 4296 1 19 . 1 1 7 7 LEU N N 7 119.398 119.398 120.559 -1.161 25818 4297 1 19 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.252 -0.426 25818 4298 1 19 . 1 1 7 7 LEU H H 7 8.215 8.215 7.932 0.283 25818 4299 1 19 . 1 1 8 8 ILE N N 8 120.843 120.843 118.743 2.100 25818 4300 1 19 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.599 -0.297 25818 4301 1 19 . 1 1 8 8 ILE H H 8 8.518 8.518 7.752 0.766 25818 4302 1 19 . 1 1 9 9 THR N N 9 115.829 115.829 117.304 -1.475 25818 4303 1 19 . 1 1 9 9 THR CA C 9 67.586 67.586 67.459 0.127 25818 4304 1 19 . 1 1 9 9 THR H H 9 7.782 7.782 8.266 -0.484 25818 4305 1 19 . 1 1 10 10 LEU N N 10 119.886 119.886 121.888 -2.002 25818 4306 1 19 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.067 -0.113 25818 4307 1 19 . 1 1 10 10 LEU C C 10 177.875 177.875 178.858 -0.983 25818 4308 1 19 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.277 0.207 25818 4309 1 19 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.706 0.256 25818 4310 1 19 . 1 1 10 10 LEU H H 10 8.086 8.086 8.162 -0.076 25818 4311 1 19 . 1 1 11 11 THR N N 11 114.351 114.351 116.579 -2.228 25818 4312 1 19 . 1 1 11 11 THR HA H 11 4.220 4.220 4.032 0.188 25818 4313 1 19 . 1 1 11 11 THR CA C 11 67.939 67.939 67.660 0.279 25818 4314 1 19 . 1 1 11 11 THR H H 11 8.033 8.033 7.852 0.181 25818 4315 1 19 . 1 1 12 12 VAL N N 12 120.398 120.398 121.563 -1.165 25818 4316 1 19 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.602 -0.034 25818 4317 1 19 . 1 1 12 12 VAL C C 12 177.733 177.733 178.052 -0.319 25818 4318 1 19 . 1 1 12 12 VAL CA C 12 67.141 67.141 67.096 0.045 25818 4319 1 19 . 1 1 12 12 VAL H H 12 8.263 8.263 8.151 0.112 25818 4320 1 19 . 1 1 13 13 GLY N N 13 106.524 106.524 107.803 -1.279 25818 4321 1 19 . 1 1 13 13 GLY C C 13 174.414 174.414 175.731 -1.317 25818 4322 1 19 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.147 0.689 25818 4323 1 19 . 1 1 13 13 GLY H H 13 8.563 8.563 8.100 0.463 25818 4324 1 19 . 1 1 14 14 PHE N N 14 120.589 120.589 123.154 -2.565 25818 4325 1 19 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.332 -0.122 25818 4326 1 19 . 1 1 14 14 PHE C C 14 177.591 177.591 177.316 0.275 25818 4327 1 19 . 1 1 14 14 PHE CA C 14 61.702 61.702 60.019 1.683 25818 4328 1 19 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.202 -0.286 25818 4329 1 19 . 1 1 14 14 PHE H H 14 8.678 8.678 8.037 0.641 25818 4330 1 19 . 1 1 15 15 GLY N N 15 106.691 106.691 107.820 -1.129 25818 4331 1 19 . 1 1 15 15 GLY C C 15 174.533 174.533 175.903 -1.370 25818 4332 1 19 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.124 0.583 25818 4333 1 19 . 1 1 15 15 GLY H H 15 8.582 8.582 8.548 0.034 25818 4334 1 19 . 1 1 16 16 ILE N N 16 120.894 120.894 122.842 -1.948 25818 4335 1 19 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.837 -0.197 25818 4336 1 19 . 1 1 16 16 ILE C C 16 178.658 178.658 177.455 1.203 25818 4337 1 19 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.673 0.757 25818 4338 1 19 . 1 1 16 16 ILE CB C 16 37.188 37.188 38.144 -0.956 25818 4339 1 19 . 1 1 16 16 ILE H H 16 8.599 8.599 7.946 0.653 25818 4340 1 19 . 1 1 17 17 LEU N N 17 123.149 123.149 122.019 1.130 25818 4341 1 19 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.140 -0.180 25818 4342 1 19 . 1 1 17 17 LEU C C 17 178.207 178.207 179.054 -0.847 25818 4343 1 19 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.365 0.496 25818 4344 1 19 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.961 -0.348 25818 4345 1 19 . 1 1 17 17 LEU H H 17 8.206 8.206 7.810 0.396 25818 4346 1 19 . 1 1 18 18 ILE N N 18 117.975 117.975 119.406 -1.431 25818 4347 1 19 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.393 0.169 25818 4348 1 19 . 1 1 18 18 ILE C C 18 177.738 177.738 177.918 -0.180 25818 4349 1 19 . 1 1 18 18 ILE CA C 18 64.569 64.569 65.245 -0.676 25818 4350 1 19 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.513 -1.000 25818 4351 1 19 . 1 1 18 18 ILE H H 18 8.455 8.455 7.350 1.105 25818 4352 1 19 . 1 1 19 19 PHE N N 19 119.303 119.303 119.555 -0.252 25818 4353 1 19 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.073 -0.004 25818 4354 1 19 . 1 1 19 19 PHE C C 19 177.069 177.069 177.373 -0.304 25818 4355 1 19 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.218 -0.267 25818 4356 1 19 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.926 0.192 25818 4357 1 19 . 1 1 19 19 PHE H H 19 8.609 8.609 7.798 0.811 25818 4358 1 19 . 1 1 20 20 SER N N 20 114.834 114.834 115.983 -1.149 25818 4359 1 19 . 1 1 20 20 SER HA H 20 4.010 4.010 4.132 -0.122 25818 4360 1 19 . 1 1 20 20 SER C C 20 176.951 176.951 176.580 0.371 25818 4361 1 19 . 1 1 20 20 SER CA C 20 63.441 63.441 61.731 1.710 25818 4362 1 19 . 1 1 20 20 SER H H 20 8.571 8.571 8.357 0.214 25818 4363 1 19 . 1 1 21 21 LEU N N 21 124.956 124.956 123.582 1.374 25818 4364 1 19 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.097 -0.045 25818 4365 1 19 . 1 1 21 21 LEU C C 21 178.041 178.041 178.112 -0.071 25818 4366 1 19 . 1 1 21 21 LEU CA C 21 58.331 58.331 57.867 0.464 25818 4367 1 19 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.758 0.013 25818 4368 1 19 . 1 1 21 21 LEU H H 21 8.193 8.193 8.054 0.139 25818 4369 1 19 . 1 1 22 22 ILE N N 22 119.365 119.365 118.831 0.534 25818 4370 1 19 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.650 -0.048 25818 4371 1 19 . 1 1 22 22 ILE C C 22 178.539 178.539 178.089 0.450 25818 4372 1 19 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.520 0.443 25818 4373 1 19 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.636 0.228 25818 4374 1 19 . 1 1 22 22 ILE H H 22 8.131 8.131 7.564 0.567 25818 4375 1 19 . 1 1 23 23 VAL N N 23 119.397 119.397 121.295 -1.898 25818 4376 1 19 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.598 -0.256 25818 4377 1 19 . 1 1 23 23 VAL C C 23 177.330 177.330 178.059 -0.729 25818 4378 1 19 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.508 0.175 25818 4379 1 19 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.793 -0.422 25818 4380 1 19 . 1 1 23 23 VAL H H 23 8.440 8.440 7.733 0.707 25818 4381 1 19 . 1 1 24 24 THR N N 24 114.854 114.854 116.520 -1.666 25818 4382 1 19 . 1 1 24 24 THR HA H 24 4.172 4.172 3.964 0.208 25818 4383 1 19 . 1 1 24 24 THR C C 24 176.382 176.382 176.478 -0.096 25818 4384 1 19 . 1 1 24 24 THR CA C 24 68.010 68.010 66.920 1.090 25818 4385 1 19 . 1 1 24 24 THR H H 24 7.969 7.969 8.062 -0.093 25818 4386 1 19 . 1 1 25 25 TYR N N 25 121.421 121.421 123.626 -2.205 25818 4387 1 19 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.160 -0.150 25818 4388 1 19 . 1 1 25 25 TYR C C 25 177.425 177.425 177.336 0.089 25818 4389 1 19 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.015 0.421 25818 4390 1 19 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.105 0.661 25818 4391 1 19 . 1 1 25 25 TYR H H 25 8.364 8.364 8.061 0.303 25818 4392 1 19 . 1 1 26 26 CYS N N 26 116.170 116.170 118.042 -1.872 25818 4393 1 19 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.766 0.173 25818 4394 1 19 . 1 1 26 26 CYS C C 26 176.335 176.335 177.067 -0.732 25818 4395 1 19 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.554 -0.311 25818 4396 1 19 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.450 0.020 25818 4397 1 19 . 1 1 26 26 CYS H H 26 8.323 8.323 8.148 0.175 25818 4398 1 19 . 1 1 27 27 ILE N N 27 116.693 116.693 120.949 -4.256 25818 4399 1 19 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.532 0.264 25818 4400 1 19 . 1 1 27 27 ILE C C 27 176.737 176.737 177.672 -0.935 25818 4401 1 19 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.450 -1.343 25818 4402 1 19 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.762 0.113 25818 4403 1 19 . 1 1 27 27 ILE H H 27 8.259 8.259 7.716 0.543 25818 4404 1 19 . 1 1 28 28 ASN N N 28 117.531 117.531 118.256 -0.725 25818 4405 1 19 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.378 0.051 25818 4406 1 19 . 1 1 28 28 ASN C C 28 175.766 175.766 176.958 -1.192 25818 4407 1 19 . 1 1 28 28 ASN CA C 28 55.852 55.852 55.891 -0.039 25818 4408 1 19 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.943 1.821 25818 4409 1 19 . 1 1 28 28 ASN H H 28 7.853 7.853 8.062 -0.209 25818 4410 1 19 . 1 1 29 29 ALA N N 29 120.505 120.505 122.164 -1.659 25818 4411 1 19 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.002 0.116 25818 4412 1 19 . 1 1 29 29 ALA C C 29 177.638 177.638 179.716 -2.078 25818 4413 1 19 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.353 -1.050 25818 4414 1 19 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.683 0.302 25818 4415 1 19 . 1 1 29 29 ALA H H 29 8.050 8.050 7.923 0.127 25818 4416 1 19 . 1 1 30 30 LYS N N 30 116.476 116.476 118.979 -2.503 25818 4417 1 19 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.989 0.338 25818 4418 1 19 . 1 1 30 30 LYS C C 30 176.192 176.192 178.876 -2.684 25818 4419 1 19 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.744 -3.251 25818 4420 1 19 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.032 -0.201 25818 4421 1 19 . 1 1 30 30 LYS H H 30 7.771 7.771 7.992 -0.221 25818 4422 1 19 . 1 1 31 31 ALA N N 31 122.457 122.457 122.248 0.209 25818 4423 1 19 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.155 -0.026 25818 4424 1 19 . 1 1 31 31 ALA C C 31 177.401 177.401 179.143 -1.742 25818 4425 1 19 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.698 -0.960 25818 4426 1 19 . 1 1 31 31 ALA CB C 31 19.262 19.262 18.146 1.116 25818 4427 1 19 . 1 1 31 31 ALA H H 31 7.924 7.924 7.740 0.184 25818 4428 1 19 . 1 1 32 32 ASP N N 32 116.883 116.883 117.275 -0.392 25818 4429 1 19 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.589 -0.164 25818 4430 1 19 . 1 1 32 32 ASP C C 32 176.690 176.690 177.310 -0.620 25818 4431 1 19 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.213 -1.910 25818 4432 1 19 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.987 -0.767 25818 4433 1 19 . 1 1 32 32 ASP H H 32 8.401 8.401 7.929 0.472 25818 4434 1 19 . 1 1 33 33 VAL N N 33 116.175 116.175 119.515 -3.340 25818 4435 1 19 . 1 1 33 33 VAL HA H 33 4.082 4.082 4.044 0.038 25818 4436 1 19 . 1 1 33 33 VAL C C 33 175.552 175.552 176.460 -0.908 25818 4437 1 19 . 1 1 33 33 VAL CA C 33 62.761 62.761 63.867 -1.106 25818 4438 1 19 . 1 1 33 33 VAL CB C 33 32.406 32.406 32.419 -0.014 25818 4439 1 19 . 1 1 33 33 VAL H H 33 7.665 7.665 7.892 -0.227 25818 4440 1 19 . 1 1 34 34 LEU N N 34 120.012 120.012 119.543 0.469 25818 4441 1 19 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.384 -0.244 25818 4442 1 19 . 1 1 34 34 LEU C C 34 176.382 176.382 178.094 -1.712 25818 4443 1 19 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.642 -0.978 25818 4444 1 19 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.500 -0.014 25818 4445 1 19 . 1 1 34 34 LEU H H 34 7.795 7.795 7.761 0.034 25818 4446 1 19 . 1 1 35 35 PHE N N 35 116.572 116.572 116.762 -0.190 25818 4447 1 19 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.445 0.150 25818 4448 1 19 . 1 1 35 35 PHE C C 35 174.960 174.960 176.926 -1.966 25818 4449 1 19 . 1 1 35 35 PHE CA C 35 57.734 57.734 58.390 -0.656 25818 4450 1 19 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.204 1.085 25818 4451 1 19 . 1 1 35 35 PHE H H 35 7.793 7.793 7.857 -0.064 25818 4452 1 19 . 1 1 36 36 ILE N N 36 119.136 119.136 119.278 -0.142 25818 4453 1 19 . 1 1 36 36 ILE HA H 36 4.108 4.108 3.765 0.343 25818 4454 1 19 . 1 1 36 36 ILE C C 36 174.975 174.975 176.810 -1.835 25818 4455 1 19 . 1 1 36 36 ILE CA C 36 60.863 60.863 63.585 -2.722 25818 4456 1 19 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.018 0.992 25818 4457 1 19 . 1 1 36 36 ILE H H 36 7.686 7.686 7.600 0.086 25818 4458 1 19 . 1 1 37 37 ALA N N 37 127.555 127.555 121.803 5.752 25818 4459 1 19 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.553 -0.040 25818 4460 1 19 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.469 -0.032 25818 4461 1 19 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.471 -0.154 25818 4462 1 19 . 1 1 37 37 ALA H H 37 8.169 8.169 8.077 0.092 25818 4463 1 19 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.460 -0.075 25818 4464 1 19 . 1 1 38 38 PRO C C 38 176.643 176.643 176.035 0.608 25818 4465 1 19 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.505 0.493 25818 4466 1 19 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.651 -0.802 25818 4467 1 19 . 1 1 39 39 ARG N N 39 121.037 121.037 119.616 1.421 25818 4468 1 19 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.404 -0.127 25818 4469 1 19 . 1 1 39 39 ARG C C 39 176.026 176.026 175.873 0.153 25818 4470 1 19 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.854 -0.046 25818 4471 1 19 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.972 0.206 25818 4472 1 19 . 1 1 39 39 ARG H H 39 8.311 8.311 8.429 -0.118 25818 4473 1 19 . 1 1 40 40 GLU N N 40 122.834 122.834 123.597 -0.763 25818 4474 1 19 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.770 -0.486 25818 4475 1 19 . 1 1 40 40 GLU CA C 40 54.336 54.336 52.769 1.567 25818 4476 1 19 . 1 1 40 40 GLU CB C 40 29.606 29.606 28.720 0.887 25818 4477 1 19 . 1 1 40 40 GLU H H 40 8.346 8.346 8.377 -0.031 25818 4478 1 19 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.201 0.131 25818 4479 1 19 . 1 1 41 41 PRO C C 41 177.496 177.496 177.086 0.410 25818 4480 1 19 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.774 0.019 25818 4481 1 19 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.786 0.008 25818 4482 1 19 . 1 1 42 42 GLY N N 42 108.890 108.890 112.257 -3.367 25818 4483 1 19 . 1 1 42 42 GLY C C 42 173.808 173.808 174.504 -0.696 25818 4484 1 19 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.985 0.248 25818 4485 1 19 . 1 1 42 42 GLY H H 42 8.412 8.412 8.432 -0.020 25818 4486 1 19 . 1 1 43 43 ALA N N 43 123.534 123.534 121.930 1.604 25818 4487 1 19 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.094 0.203 25818 4488 1 19 . 1 1 43 43 ALA C C 43 177.567 177.567 176.914 0.653 25818 4489 1 19 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.977 -0.491 25818 4490 1 19 . 1 1 43 43 ALA CB C 43 19.425 19.425 19.762 -0.338 25818 4491 1 19 . 1 1 43 43 ALA H H 43 7.929 7.929 7.638 0.291 25818 4492 1 19 . 1 1 44 44 VAL N N 44 118.351 118.351 122.398 -4.047 25818 4493 1 19 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.182 -0.064 25818 4494 1 19 . 1 1 44 44 VAL C C 44 175.647 175.647 176.327 -0.680 25818 4495 1 19 . 1 1 44 44 VAL CA C 44 62.060 62.060 61.099 0.961 25818 4496 1 19 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.916 0.985 25818 4497 1 19 . 1 1 44 44 VAL H H 44 7.985 7.985 8.152 -0.167 25818 4498 1 19 . 1 1 45 45 SER N N 45 119.089 119.089 121.382 -2.293 25818 4499 1 19 . 1 1 45 45 SER HA H 45 4.394 4.394 4.315 0.079 25818 4500 1 19 . 1 1 45 45 SER C C 45 172.840 172.840 175.448 -2.608 25818 4501 1 19 . 1 1 45 45 SER CA C 45 57.993 57.993 58.219 -0.226 25818 4502 1 19 . 1 1 45 45 SER CB C 45 64.261 64.261 63.870 0.392 25818 4503 1 19 . 1 1 45 45 SER H H 45 8.081 8.081 8.430 -0.349 25818 4504 1 20 . 1 1 2 2 SER N N 2 115.072 115.072 115.986 -0.914 25818 4505 1 20 . 1 1 2 2 SER HA H 2 4.322 4.322 4.179 0.143 25818 4506 1 20 . 1 1 2 2 SER C C 2 175.102 175.102 176.845 -1.743 25818 4507 1 20 . 1 1 2 2 SER CA C 2 58.862 58.862 61.253 -2.391 25818 4508 1 20 . 1 1 2 2 SER CB C 2 63.783 63.783 62.938 0.846 25818 4509 1 20 . 1 1 2 2 SER H H 2 8.287 8.287 8.519 -0.232 25818 4510 1 20 . 1 1 3 3 LYS N N 3 122.944 122.944 121.015 1.929 25818 4511 1 20 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.107 0.116 25818 4512 1 20 . 1 1 3 3 LYS C C 3 177.259 177.259 178.838 -1.579 25818 4513 1 20 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.236 -1.752 25818 4514 1 20 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.326 -0.096 25818 4515 1 20 . 1 1 3 3 LYS H H 3 8.418 8.418 8.388 0.030 25818 4516 1 20 . 1 1 4 4 GLU N N 4 119.651 119.651 119.369 0.282 25818 4517 1 20 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.064 0.022 25818 4518 1 20 . 1 1 4 4 GLU C C 4 177.164 177.164 178.830 -1.666 25818 4519 1 20 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.517 -0.643 25818 4520 1 20 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.407 -0.000 25818 4521 1 20 . 1 1 4 4 GLU H H 4 8.583 8.583 8.203 0.380 25818 4522 1 20 . 1 1 5 5 LEU N N 5 119.754 119.754 119.607 0.147 25818 4523 1 20 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.928 0.241 25818 4524 1 20 . 1 1 5 5 LEU C C 5 178.517 178.517 179.038 -0.521 25818 4525 1 20 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.156 -1.520 25818 4526 1 20 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.919 0.011 25818 4527 1 20 . 1 1 5 5 LEU H H 5 8.069 8.069 8.130 -0.061 25818 4528 1 20 . 1 1 6 6 GLU N N 6 121.615 121.615 119.805 1.810 25818 4529 1 20 . 1 1 6 6 GLU HA H 6 4.088 4.088 4.006 0.082 25818 4530 1 20 . 1 1 6 6 GLU C C 6 177.306 177.306 179.018 -1.712 25818 4531 1 20 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.469 -0.462 25818 4532 1 20 . 1 1 6 6 GLU H H 6 8.367 8.367 8.038 0.329 25818 4533 1 20 . 1 1 7 7 LEU N N 7 119.398 119.398 120.696 -1.298 25818 4534 1 20 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.383 -0.557 25818 4535 1 20 . 1 1 7 7 LEU H H 7 8.215 8.215 8.027 0.188 25818 4536 1 20 . 1 1 8 8 ILE N N 8 120.843 120.843 119.027 1.816 25818 4537 1 20 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.807 -0.505 25818 4538 1 20 . 1 1 8 8 ILE H H 8 8.518 8.518 8.214 0.304 25818 4539 1 20 . 1 1 9 9 THR N N 9 115.829 115.829 116.929 -1.100 25818 4540 1 20 . 1 1 9 9 THR CA C 9 67.586 67.586 67.250 0.336 25818 4541 1 20 . 1 1 9 9 THR H H 9 7.782 7.782 8.047 -0.265 25818 4542 1 20 . 1 1 10 10 LEU N N 10 119.886 119.886 121.679 -1.793 25818 4543 1 20 . 1 1 10 10 LEU HA H 10 3.954 3.954 3.964 -0.010 25818 4544 1 20 . 1 1 10 10 LEU C C 10 177.875 177.875 178.818 -0.943 25818 4545 1 20 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.172 0.312 25818 4546 1 20 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.679 0.283 25818 4547 1 20 . 1 1 10 10 LEU H H 10 8.086 8.086 7.798 0.288 25818 4548 1 20 . 1 1 11 11 THR N N 11 114.351 114.351 116.220 -1.869 25818 4549 1 20 . 1 1 11 11 THR HA H 11 4.220 4.220 4.116 0.104 25818 4550 1 20 . 1 1 11 11 THR CA C 11 67.939 67.939 66.962 0.977 25818 4551 1 20 . 1 1 11 11 THR H H 11 8.033 8.033 8.212 -0.179 25818 4552 1 20 . 1 1 12 12 VAL N N 12 120.398 120.398 120.432 -0.034 25818 4553 1 20 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.680 -0.112 25818 4554 1 20 . 1 1 12 12 VAL C C 12 177.733 177.733 178.261 -0.528 25818 4555 1 20 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.694 0.447 25818 4556 1 20 . 1 1 12 12 VAL H H 12 8.263 8.263 8.084 0.179 25818 4557 1 20 . 1 1 13 13 GLY N N 13 106.524 106.524 108.927 -2.403 25818 4558 1 20 . 1 1 13 13 GLY C C 13 174.414 174.414 175.854 -1.440 25818 4559 1 20 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.088 0.748 25818 4560 1 20 . 1 1 13 13 GLY H H 13 8.563 8.563 7.838 0.725 25818 4561 1 20 . 1 1 14 14 PHE N N 14 120.589 120.589 123.119 -2.530 25818 4562 1 20 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.493 -0.283 25818 4563 1 20 . 1 1 14 14 PHE C C 14 177.591 177.591 177.233 0.358 25818 4564 1 20 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.072 2.630 25818 4565 1 20 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.319 -0.403 25818 4566 1 20 . 1 1 14 14 PHE H H 14 8.678 8.678 8.140 0.538 25818 4567 1 20 . 1 1 15 15 GLY N N 15 106.691 106.691 108.035 -1.344 25818 4568 1 20 . 1 1 15 15 GLY C C 15 174.533 174.533 175.987 -1.454 25818 4569 1 20 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.068 0.639 25818 4570 1 20 . 1 1 15 15 GLY H H 15 8.582 8.582 8.834 -0.252 25818 4571 1 20 . 1 1 16 16 ILE N N 16 120.894 120.894 122.661 -1.767 25818 4572 1 20 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.784 -0.144 25818 4573 1 20 . 1 1 16 16 ILE C C 16 178.658 178.658 177.622 1.036 25818 4574 1 20 . 1 1 16 16 ILE CA C 16 65.430 65.430 63.887 1.543 25818 4575 1 20 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.450 -0.262 25818 4576 1 20 . 1 1 16 16 ILE H H 16 8.599 8.599 7.735 0.864 25818 4577 1 20 . 1 1 17 17 LEU N N 17 123.149 123.149 121.427 1.722 25818 4578 1 20 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.006 -0.046 25818 4579 1 20 . 1 1 17 17 LEU C C 17 178.207 178.207 179.066 -0.859 25818 4580 1 20 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.771 0.090 25818 4581 1 20 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.687 -0.074 25818 4582 1 20 . 1 1 17 17 LEU H H 17 8.206 8.206 7.702 0.504 25818 4583 1 20 . 1 1 18 18 ILE N N 18 117.975 117.975 118.877 -0.902 25818 4584 1 20 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.537 0.025 25818 4585 1 20 . 1 1 18 18 ILE C C 18 177.738 177.738 178.328 -0.590 25818 4586 1 20 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.781 -0.212 25818 4587 1 20 . 1 1 18 18 ILE CB C 18 36.512 36.512 36.816 -0.304 25818 4588 1 20 . 1 1 18 18 ILE H H 18 8.455 8.455 7.472 0.983 25818 4589 1 20 . 1 1 19 19 PHE N N 19 119.303 119.303 119.932 -0.629 25818 4590 1 20 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.048 0.021 25818 4591 1 20 . 1 1 19 19 PHE C C 19 177.069 177.069 178.266 -1.197 25818 4592 1 20 . 1 1 19 19 PHE CA C 19 61.951 61.951 62.105 -0.154 25818 4593 1 20 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.546 0.572 25818 4594 1 20 . 1 1 19 19 PHE H H 19 8.609 8.609 7.958 0.651 25818 4595 1 20 . 1 1 20 20 SER N N 20 114.834 114.834 115.901 -1.067 25818 4596 1 20 . 1 1 20 20 SER HA H 20 4.010 4.010 4.205 -0.195 25818 4597 1 20 . 1 1 20 20 SER C C 20 176.951 176.951 176.844 0.107 25818 4598 1 20 . 1 1 20 20 SER CA C 20 63.441 63.441 62.138 1.303 25818 4599 1 20 . 1 1 20 20 SER H H 20 8.571 8.571 8.425 0.146 25818 4600 1 20 . 1 1 21 21 LEU N N 21 124.956 124.956 123.532 1.424 25818 4601 1 20 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.031 0.021 25818 4602 1 20 . 1 1 21 21 LEU C C 21 178.041 178.041 178.465 -0.424 25818 4603 1 20 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.299 0.032 25818 4604 1 20 . 1 1 21 21 LEU CB C 21 41.771 41.771 42.029 -0.258 25818 4605 1 20 . 1 1 21 21 LEU H H 21 8.193 8.193 8.337 -0.144 25818 4606 1 20 . 1 1 22 22 ILE N N 22 119.365 119.365 118.779 0.586 25818 4607 1 20 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.570 0.032 25818 4608 1 20 . 1 1 22 22 ILE C C 22 178.539 178.539 178.046 0.493 25818 4609 1 20 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.617 0.346 25818 4610 1 20 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.733 0.130 25818 4611 1 20 . 1 1 22 22 ILE H H 22 8.131 8.131 7.562 0.569 25818 4612 1 20 . 1 1 23 23 VAL N N 23 119.397 119.397 120.400 -1.003 25818 4613 1 20 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.624 -0.282 25818 4614 1 20 . 1 1 23 23 VAL C C 23 177.330 177.330 178.044 -0.714 25818 4615 1 20 . 1 1 23 23 VAL CA C 23 67.683 67.683 66.878 0.805 25818 4616 1 20 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.619 -0.248 25818 4617 1 20 . 1 1 23 23 VAL H H 23 8.440 8.440 7.544 0.896 25818 4618 1 20 . 1 1 24 24 THR N N 24 114.854 114.854 117.080 -2.226 25818 4619 1 20 . 1 1 24 24 THR HA H 24 4.172 4.172 4.002 0.170 25818 4620 1 20 . 1 1 24 24 THR C C 24 176.382 176.382 176.140 0.242 25818 4621 1 20 . 1 1 24 24 THR CA C 24 68.010 68.010 66.857 1.153 25818 4622 1 20 . 1 1 24 24 THR H H 24 7.969 7.969 8.693 -0.724 25818 4623 1 20 . 1 1 25 25 TYR N N 25 121.421 121.421 122.914 -1.493 25818 4624 1 20 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.259 -0.249 25818 4625 1 20 . 1 1 25 25 TYR C C 25 177.425 177.425 177.040 0.385 25818 4626 1 20 . 1 1 25 25 TYR CA C 25 62.436 62.436 61.940 0.496 25818 4627 1 20 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.616 0.150 25818 4628 1 20 . 1 1 25 25 TYR H H 25 8.364 8.364 8.011 0.353 25818 4629 1 20 . 1 1 26 26 CYS N N 26 116.170 116.170 118.430 -2.260 25818 4630 1 20 . 1 1 26 26 CYS HA H 26 3.939 3.939 4.019 -0.080 25818 4631 1 20 . 1 1 26 26 CYS C C 26 176.335 176.335 177.220 -0.885 25818 4632 1 20 . 1 1 26 26 CYS CA C 26 64.243 64.243 65.146 -0.903 25818 4633 1 20 . 1 1 26 26 CYS CB C 26 27.470 27.470 27.251 0.219 25818 4634 1 20 . 1 1 26 26 CYS H H 26 8.323 8.323 7.951 0.372 25818 4635 1 20 . 1 1 27 27 ILE N N 27 116.693 116.693 121.218 -4.525 25818 4636 1 20 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.516 0.280 25818 4637 1 20 . 1 1 27 27 ILE C C 27 176.737 176.737 177.673 -0.936 25818 4638 1 20 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.748 -1.641 25818 4639 1 20 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.805 0.070 25818 4640 1 20 . 1 1 27 27 ILE H H 27 8.259 8.259 8.038 0.221 25818 4641 1 20 . 1 1 28 28 ASN N N 28 117.531 117.531 117.819 -0.288 25818 4642 1 20 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.304 0.125 25818 4643 1 20 . 1 1 28 28 ASN C C 28 175.766 175.766 177.367 -1.601 25818 4644 1 20 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.146 -0.294 25818 4645 1 20 . 1 1 28 28 ASN CB C 28 39.764 39.764 37.835 1.929 25818 4646 1 20 . 1 1 28 28 ASN H H 28 7.853 7.853 7.745 0.108 25818 4647 1 20 . 1 1 29 29 ALA N N 29 120.505 120.505 122.865 -2.360 25818 4648 1 20 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.105 0.013 25818 4649 1 20 . 1 1 29 29 ALA C C 29 177.638 177.638 179.365 -1.727 25818 4650 1 20 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.838 -1.535 25818 4651 1 20 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.430 0.555 25818 4652 1 20 . 1 1 29 29 ALA H H 29 8.050 8.050 7.648 0.402 25818 4653 1 20 . 1 1 30 30 LYS N N 30 116.476 116.476 118.871 -2.395 25818 4654 1 20 . 1 1 30 30 LYS HA H 30 4.327 4.327 3.997 0.330 25818 4655 1 20 . 1 1 30 30 LYS C C 30 176.192 176.192 178.506 -2.314 25818 4656 1 20 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.764 -3.271 25818 4657 1 20 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.404 -0.573 25818 4658 1 20 . 1 1 30 30 LYS H H 30 7.771 7.771 7.881 -0.110 25818 4659 1 20 . 1 1 31 31 ALA N N 31 122.457 122.457 121.643 0.814 25818 4660 1 20 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.398 -0.269 25818 4661 1 20 . 1 1 31 31 ALA C C 31 177.401 177.401 178.906 -1.505 25818 4662 1 20 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.299 -0.561 25818 4663 1 20 . 1 1 31 31 ALA CB C 31 19.262 19.262 19.084 0.178 25818 4664 1 20 . 1 1 31 31 ALA H H 31 7.924 7.924 7.968 -0.044 25818 4665 1 20 . 1 1 32 32 ASP N N 32 116.883 116.883 120.636 -3.753 25818 4666 1 20 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.577 -0.152 25818 4667 1 20 . 1 1 32 32 ASP C C 32 176.690 176.690 178.546 -1.856 25818 4668 1 20 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.419 -2.116 25818 4669 1 20 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.474 -0.254 25818 4670 1 20 . 1 1 32 32 ASP H H 32 8.401 8.401 8.056 0.345 25818 4671 1 20 . 1 1 33 33 VAL N N 33 116.175 116.175 118.921 -2.746 25818 4672 1 20 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.791 0.291 25818 4673 1 20 . 1 1 33 33 VAL C C 33 175.552 175.552 176.727 -1.175 25818 4674 1 20 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.646 -2.885 25818 4675 1 20 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.208 1.198 25818 4676 1 20 . 1 1 33 33 VAL H H 33 7.665 7.665 7.750 -0.085 25818 4677 1 20 . 1 1 34 34 LEU N N 34 120.012 120.012 119.785 0.227 25818 4678 1 20 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.104 0.036 25818 4679 1 20 . 1 1 34 34 LEU C C 34 176.382 176.382 178.813 -2.431 25818 4680 1 20 . 1 1 34 34 LEU CA C 34 55.664 55.664 57.525 -1.861 25818 4681 1 20 . 1 1 34 34 LEU CB C 34 42.486 42.486 41.968 0.518 25818 4682 1 20 . 1 1 34 34 LEU H H 34 7.795 7.795 7.315 0.480 25818 4683 1 20 . 1 1 35 35 PHE N N 35 116.572 116.572 118.492 -1.920 25818 4684 1 20 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.329 0.266 25818 4685 1 20 . 1 1 35 35 PHE C C 35 174.960 174.960 177.182 -2.222 25818 4686 1 20 . 1 1 35 35 PHE CA C 35 57.734 57.734 61.542 -3.808 25818 4687 1 20 . 1 1 35 35 PHE CB C 35 39.289 39.289 39.681 -0.392 25818 4688 1 20 . 1 1 35 35 PHE H H 35 7.793 7.793 7.684 0.109 25818 4689 1 20 . 1 1 36 36 ILE N N 36 119.136 119.136 117.043 2.093 25818 4690 1 20 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.270 -0.162 25818 4691 1 20 . 1 1 36 36 ILE C C 36 174.975 174.975 175.693 -0.718 25818 4692 1 20 . 1 1 36 36 ILE CA C 36 60.863 60.863 59.042 1.821 25818 4693 1 20 . 1 1 36 36 ILE CB C 36 39.010 39.010 35.285 3.725 25818 4694 1 20 . 1 1 36 36 ILE H H 36 7.686 7.686 8.327 -0.641 25818 4695 1 20 . 1 1 37 37 ALA N N 37 127.555 127.555 124.401 3.154 25818 4696 1 20 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.254 0.259 25818 4697 1 20 . 1 1 37 37 ALA CA C 37 50.437 50.437 51.169 -0.732 25818 4698 1 20 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.317 0.000 25818 4699 1 20 . 1 1 37 37 ALA H H 37 8.169 8.169 7.233 0.936 25818 4700 1 20 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.481 -0.096 25818 4701 1 20 . 1 1 38 38 PRO C C 38 176.643 176.643 175.613 1.030 25818 4702 1 20 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.568 0.430 25818 4703 1 20 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.510 -0.661 25818 4704 1 20 . 1 1 39 39 ARG N N 39 121.037 121.037 119.198 1.839 25818 4705 1 20 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.427 -0.150 25818 4706 1 20 . 1 1 39 39 ARG C C 39 176.026 176.026 175.756 0.270 25818 4707 1 20 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.903 -0.095 25818 4708 1 20 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.646 0.532 25818 4709 1 20 . 1 1 39 39 ARG H H 39 8.311 8.311 8.351 -0.040 25818 4710 1 20 . 1 1 40 40 GLU N N 40 122.834 122.834 123.039 -0.205 25818 4711 1 20 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.663 -0.379 25818 4712 1 20 . 1 1 40 40 GLU CA C 40 54.336 54.336 53.426 0.910 25818 4713 1 20 . 1 1 40 40 GLU CB C 40 29.606 29.606 28.916 0.690 25818 4714 1 20 . 1 1 40 40 GLU H H 40 8.346 8.346 8.311 0.035 25818 4715 1 20 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.181 0.151 25818 4716 1 20 . 1 1 41 41 PRO C C 41 177.496 177.496 177.910 -0.414 25818 4717 1 20 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.989 -0.196 25818 4718 1 20 . 1 1 41 41 PRO CB C 41 31.794 31.794 32.128 -0.334 25818 4719 1 20 . 1 1 42 42 GLY N N 42 108.890 108.890 105.503 3.387 25818 4720 1 20 . 1 1 42 42 GLY C C 42 173.808 173.808 173.603 0.205 25818 4721 1 20 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.404 0.829 25818 4722 1 20 . 1 1 42 42 GLY H H 42 8.412 8.412 8.230 0.182 25818 4723 1 20 . 1 1 43 43 ALA N N 43 123.534 123.534 122.912 0.622 25818 4724 1 20 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.080 0.217 25818 4725 1 20 . 1 1 43 43 ALA C C 43 177.567 177.567 176.847 0.720 25818 4726 1 20 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.746 -0.260 25818 4727 1 20 . 1 1 43 43 ALA CB C 43 19.425 19.425 18.715 0.709 25818 4728 1 20 . 1 1 43 43 ALA H H 43 7.929 7.929 7.818 0.111 25818 4729 1 20 . 1 1 44 44 VAL N N 44 118.351 118.351 120.310 -1.959 25818 4730 1 20 . 1 1 44 44 VAL HA H 44 4.118 4.118 3.827 0.291 25818 4731 1 20 . 1 1 44 44 VAL C C 44 175.647 175.647 174.964 0.683 25818 4732 1 20 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.006 0.054 25818 4733 1 20 . 1 1 44 44 VAL CB C 44 32.901 32.901 31.872 1.029 25818 4734 1 20 . 1 1 44 44 VAL H H 44 7.985 7.985 8.344 -0.359 25818 4735 1 20 . 1 1 45 45 SER N N 45 119.089 119.089 120.668 -1.579 25818 4736 1 20 . 1 1 45 45 SER HA H 45 4.394 4.394 4.606 -0.212 25818 4737 1 20 . 1 1 45 45 SER C C 45 172.840 172.840 174.346 -1.506 25818 4738 1 20 . 1 1 45 45 SER CA C 45 57.993 57.993 57.907 0.086 25818 4739 1 20 . 1 1 45 45 SER CB C 45 64.261 64.261 63.261 1.000 25818 4740 1 20 . 1 1 45 45 SER H H 45 8.081 8.081 8.141 -0.060 25818 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 42 1.950 0.687 1.847 25818 2 1 1 "Average Difference" HA 44 0.193 -0.021 0.194 25818 3 1 1 "Average Difference" C 38 1.172 0.766 0.899 25818 4 1 1 "Average Difference" CA 44 1.222 0.314 1.195 25818 5 1 1 "Average Difference" CB 33 0.644 -0.133 0.640 25818 6 1 1 "Average Difference" HN 42 0.435 -0.191 0.396 25818 7 1 2 "Average Difference" N 42 1.891 0.742 1.760 25818 8 1 2 "Average Difference" HA 44 0.196 0.011 0.198 25818 9 1 2 "Average Difference" C 38 1.156 0.700 0.933 25818 10 1 2 "Average Difference" CA 44 1.169 0.302 1.143 25818 11 1 2 "Average Difference" CB 33 0.715 -0.135 0.713 25818 12 1 2 "Average Difference" HN 42 0.389 -0.160 0.359 25818 13 1 3 "Average Difference" N 42 2.049 0.572 1.991 25818 14 1 3 "Average Difference" HA 44 0.194 -0.000 0.196 25818 15 1 3 "Average Difference" C 38 1.125 0.696 0.896 25818 16 1 3 "Average Difference" CA 44 1.234 0.314 1.207 25818 17 1 3 "Average Difference" CB 33 0.775 -0.220 0.755 25818 18 1 3 "Average Difference" HN 42 0.412 -0.187 0.372 25818 19 1 4 "Average Difference" N 42 2.037 0.663 1.950 25818 20 1 4 "Average Difference" HA 44 0.186 -0.040 0.183 25818 21 1 4 "Average Difference" C 38 1.100 0.718 0.844 25818 22 1 4 "Average Difference" CA 44 1.175 0.403 1.117 25818 23 1 4 "Average Difference" CB 33 0.601 -0.156 0.589 25818 24 1 4 "Average Difference" HN 42 0.415 -0.171 0.383 25818 25 1 5 "Average Difference" N 42 2.282 0.355 2.282 25818 26 1 5 "Average Difference" HA 44 0.175 -0.034 0.174 25818 27 1 5 "Average Difference" C 38 1.150 0.796 0.841 25818 28 1 5 "Average Difference" CA 44 1.272 0.422 1.214 25818 29 1 5 "Average Difference" CB 33 0.751 -0.364 0.667 25818 30 1 5 "Average Difference" HN 42 0.414 -0.122 0.400 25818 31 1 6 "Average Difference" N 42 2.149 0.828 2.007 25818 32 1 6 "Average Difference" HA 44 0.199 -0.039 0.197 25818 33 1 6 "Average Difference" C 38 1.119 0.673 0.906 25818 34 1 6 "Average Difference" CA 44 1.095 0.267 1.074 25818 35 1 6 "Average Difference" CB 33 0.650 -0.153 0.641 25818 36 1 6 "Average Difference" HN 42 0.399 -0.155 0.373 25818 37 1 7 "Average Difference" N 42 2.142 0.661 2.062 25818 38 1 7 "Average Difference" HA 44 0.198 -0.009 0.200 25818 39 1 7 "Average Difference" C 38 1.078 0.655 0.868 25818 40 1 7 "Average Difference" CA 44 1.240 0.250 1.228 25818 41 1 7 "Average Difference" CB 33 0.710 -0.164 0.701 25818 42 1 7 "Average Difference" HN 42 0.408 -0.154 0.382 25818 43 1 8 "Average Difference" N 42 2.113 0.623 2.044 25818 44 1 8 "Average Difference" HA 44 0.173 -0.030 0.172 25818 45 1 8 "Average Difference" C 38 1.127 0.670 0.919 25818 46 1 8 "Average Difference" CA 44 1.150 0.189 1.147 25818 47 1 8 "Average Difference" CB 33 0.700 -0.214 0.676 25818 48 1 8 "Average Difference" HN 42 0.441 -0.218 0.388 25818 49 1 9 "Average Difference" N 42 2.118 0.811 1.980 25818 50 1 9 "Average Difference" HA 44 0.199 0.018 0.201 25818 51 1 9 "Average Difference" C 38 1.069 0.682 0.834 25818 52 1 9 "Average Difference" CA 44 1.108 0.261 1.090 25818 53 1 9 "Average Difference" CB 33 0.674 -0.251 0.635 25818 54 1 9 "Average Difference" HN 42 0.422 -0.205 0.373 25818 55 1 10 "Average Difference" N 42 2.080 0.884 1.905 25818 56 1 10 "Average Difference" HA 44 0.173 -0.012 0.174 25818 57 1 10 "Average Difference" C 38 1.166 0.765 0.891 25818 58 1 10 "Average Difference" CA 44 1.167 0.209 1.161 25818 59 1 10 "Average Difference" CB 33 0.655 -0.244 0.617 25818 60 1 10 "Average Difference" HN 42 0.409 -0.190 0.367 25818 61 1 11 "Average Difference" N 42 2.030 0.352 2.023 25818 62 1 11 "Average Difference" HA 44 0.181 -0.017 0.182 25818 63 1 11 "Average Difference" C 38 1.094 0.768 0.789 25818 64 1 11 "Average Difference" CA 44 1.198 0.282 1.178 25818 65 1 11 "Average Difference" CB 33 0.695 -0.216 0.671 25818 66 1 11 "Average Difference" HN 42 0.396 -0.158 0.367 25818 67 1 12 "Average Difference" N 42 1.959 0.628 1.878 25818 68 1 12 "Average Difference" HA 44 0.194 -0.041 0.192 25818 69 1 12 "Average Difference" C 38 1.203 0.767 0.938 25818 70 1 12 "Average Difference" CA 44 1.263 0.362 1.224 25818 71 1 12 "Average Difference" CB 33 0.679 -0.274 0.631 25818 72 1 12 "Average Difference" HN 42 0.405 -0.203 0.355 25818 73 1 13 "Average Difference" N 42 2.192 0.886 2.029 25818 74 1 13 "Average Difference" HA 44 0.203 -0.039 0.201 25818 75 1 13 "Average Difference" C 38 1.184 0.812 0.874 25818 76 1 13 "Average Difference" CA 44 1.169 0.264 1.152 25818 77 1 13 "Average Difference" CB 33 0.751 -0.267 0.713 25818 78 1 13 "Average Difference" HN 42 0.404 -0.224 0.340 25818 79 1 14 "Average Difference" N 42 2.228 0.633 2.162 25818 80 1 14 "Average Difference" HA 44 0.207 -0.045 0.205 25818 81 1 14 "Average Difference" C 38 1.162 0.739 0.909 25818 82 1 14 "Average Difference" CA 44 1.250 0.210 1.247 25818 83 1 14 "Average Difference" CB 33 0.596 -0.162 0.582 25818 84 1 14 "Average Difference" HN 42 0.401 -0.190 0.357 25818 85 1 15 "Average Difference" N 42 2.065 0.597 2.001 25818 86 1 15 "Average Difference" HA 44 0.183 -0.030 0.182 25818 87 1 15 "Average Difference" C 38 1.109 0.719 0.855 25818 88 1 15 "Average Difference" CA 44 1.260 0.335 1.228 25818 89 1 15 "Average Difference" CB 33 0.601 -0.163 0.588 25818 90 1 15 "Average Difference" HN 42 0.457 -0.153 0.436 25818 91 1 16 "Average Difference" N 42 2.152 0.769 2.034 25818 92 1 16 "Average Difference" HA 44 0.214 -0.027 0.215 25818 93 1 16 "Average Difference" C 38 1.141 0.761 0.861 25818 94 1 16 "Average Difference" CA 44 1.353 0.266 1.342 25818 95 1 16 "Average Difference" CB 33 0.781 -0.259 0.749 25818 96 1 16 "Average Difference" HN 42 0.418 -0.168 0.387 25818 97 1 17 "Average Difference" N 42 1.979 0.474 1.944 25818 98 1 17 "Average Difference" HA 44 0.196 -0.032 0.196 25818 99 1 17 "Average Difference" C 38 1.101 0.721 0.844 25818 100 1 17 "Average Difference" CA 44 1.225 0.332 1.193 25818 101 1 17 "Average Difference" CB 33 0.843 -0.339 0.784 25818 102 1 17 "Average Difference" HN 42 0.425 -0.198 0.380 25818 103 1 18 "Average Difference" N 42 2.020 0.584 1.957 25818 104 1 18 "Average Difference" HA 44 0.200 0.003 0.203 25818 105 1 18 "Average Difference" C 38 1.204 0.649 1.027 25818 106 1 18 "Average Difference" CA 44 1.163 0.143 1.168 25818 107 1 18 "Average Difference" CB 33 0.655 -0.233 0.622 25818 108 1 18 "Average Difference" HN 42 0.446 -0.197 0.405 25818 109 1 19 "Average Difference" N 42 2.013 0.716 1.904 25818 110 1 19 "Average Difference" HA 44 0.176 -0.011 0.178 25818 111 1 19 "Average Difference" C 38 1.169 0.708 0.942 25818 112 1 19 "Average Difference" CA 44 1.017 0.180 1.012 25818 113 1 19 "Average Difference" CB 33 0.650 -0.159 0.640 25818 114 1 19 "Average Difference" HN 42 0.386 -0.192 0.339 25818 115 1 20 "Average Difference" N 42 1.907 0.584 1.838 25818 116 1 20 "Average Difference" HA 44 0.184 -0.008 0.186 25818 117 1 20 "Average Difference" C 38 1.228 0.767 0.973 25818 118 1 20 "Average Difference" CA 44 1.360 0.281 1.347 25818 119 1 20 "Average Difference" CB 33 0.883 -0.318 0.837 25818 120 1 20 "Average Difference" HN 42 0.435 -0.191 0.396 25818 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 25818 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 SER N N 2 115.072 115.072 115.664 -0.592 25818 2 1 . 1 1 2 2 SER HA H 2 4.322 4.322 4.167 0.155 25818 3 1 . 1 1 2 2 SER C C 2 175.102 175.102 176.116 -1.014 25818 4 1 . 1 1 2 2 SER CA C 2 58.862 58.862 60.604 -1.742 25818 5 1 . 1 1 2 2 SER CB C 2 63.783 63.783 62.770 1.013 25818 6 1 . 1 1 2 2 SER H H 2 8.287 8.287 8.533 -0.246 25818 7 1 . 1 1 3 3 LYS N N 3 122.944 122.944 120.898 2.046 25818 8 1 . 1 1 3 3 LYS HA H 3 4.223 4.223 4.078 0.145 25818 9 1 . 1 1 3 3 LYS C C 3 177.259 177.259 178.623 -1.364 25818 10 1 . 1 1 3 3 LYS CA C 3 57.484 57.484 59.310 -1.826 25818 11 1 . 1 1 3 3 LYS CB C 3 32.230 32.230 32.133 0.097 25818 12 1 . 1 1 3 3 LYS H H 3 8.418 8.418 8.389 0.029 25818 13 1 . 1 1 4 4 GLU N N 4 119.651 119.651 119.417 0.234 25818 14 1 . 1 1 4 4 GLU HA H 4 4.086 4.086 4.086 -0.000 25818 15 1 . 1 1 4 4 GLU C C 4 177.164 177.164 178.906 -1.742 25818 16 1 . 1 1 4 4 GLU CA C 4 58.874 58.874 59.296 -0.422 25818 17 1 . 1 1 4 4 GLU CB C 4 29.407 29.407 29.196 0.211 25818 18 1 . 1 1 4 4 GLU H H 4 8.583 8.583 8.256 0.327 25818 19 1 . 1 1 5 5 LEU N N 5 119.754 119.754 119.992 -0.238 25818 20 1 . 1 1 5 5 LEU HA H 5 4.169 4.169 3.964 0.205 25818 21 1 . 1 1 5 5 LEU C C 5 178.517 178.517 179.172 -0.655 25818 22 1 . 1 1 5 5 LEU CA C 5 56.636 56.636 58.084 -1.448 25818 23 1 . 1 1 5 5 LEU CB C 5 41.930 41.930 41.733 0.197 25818 24 1 . 1 1 5 5 LEU H H 5 8.069 8.069 8.083 -0.014 25818 25 1 . 1 1 6 6 GLU N N 6 121.615 121.615 119.843 1.772 25818 26 1 . 1 1 6 6 GLU HA H 6 4.088 4.088 3.998 0.090 25818 27 1 . 1 1 6 6 GLU C C 6 177.306 177.306 179.155 -1.849 25818 28 1 . 1 1 6 6 GLU CA C 6 59.008 59.008 59.593 -0.585 25818 29 1 . 1 1 6 6 GLU H H 6 8.367 8.367 8.059 0.308 25818 30 1 . 1 1 7 7 LEU N N 7 119.398 119.398 120.930 -1.532 25818 31 1 . 1 1 7 7 LEU CA C 7 57.826 57.826 58.237 -0.411 25818 32 1 . 1 1 7 7 LEU H H 7 8.215 8.215 8.045 0.170 25818 33 1 . 1 1 8 8 ILE N N 8 120.843 120.843 119.000 1.843 25818 34 1 . 1 1 8 8 ILE CA C 8 65.302 65.302 65.581 -0.279 25818 35 1 . 1 1 8 8 ILE H H 8 8.518 8.518 8.017 0.501 25818 36 1 . 1 1 9 9 THR N N 9 115.829 115.829 117.003 -1.174 25818 37 1 . 1 1 9 9 THR CA C 9 67.586 67.586 67.059 0.526 25818 38 1 . 1 1 9 9 THR H H 9 7.782 7.782 7.982 -0.200 25818 39 1 . 1 1 10 10 LEU N N 10 119.886 119.886 121.864 -1.978 25818 40 1 . 1 1 10 10 LEU HA H 10 3.954 3.954 4.018 -0.064 25818 41 1 . 1 1 10 10 LEU C C 10 177.875 177.875 178.680 -0.805 25818 42 1 . 1 1 10 10 LEU CA C 10 58.484 58.484 58.484 0.000 25818 43 1 . 1 1 10 10 LEU CB C 10 41.962 41.962 41.653 0.309 25818 44 1 . 1 1 10 10 LEU H H 10 8.086 8.086 8.273 -0.187 25818 45 1 . 1 1 11 11 THR N N 11 114.351 114.351 116.357 -2.006 25818 46 1 . 1 1 11 11 THR HA H 11 4.220 4.220 4.039 0.181 25818 47 1 . 1 1 11 11 THR CA C 11 67.939 67.939 67.288 0.651 25818 48 1 . 1 1 11 11 THR H H 11 8.033 8.033 8.028 0.005 25818 49 1 . 1 1 12 12 VAL N N 12 120.398 120.398 120.860 -0.462 25818 50 1 . 1 1 12 12 VAL HA H 12 3.568 3.568 3.704 -0.136 25818 51 1 . 1 1 12 12 VAL C C 12 177.733 177.733 178.197 -0.464 25818 52 1 . 1 1 12 12 VAL CA C 12 67.141 67.141 66.416 0.725 25818 53 1 . 1 1 12 12 VAL H H 12 8.263 8.263 8.179 0.084 25818 54 1 . 1 1 13 13 GLY N N 13 106.524 106.524 108.579 -2.055 25818 55 1 . 1 1 13 13 GLY C C 13 174.414 174.414 175.774 -1.360 25818 56 1 . 1 1 13 13 GLY CA C 13 47.836 47.836 47.128 0.708 25818 57 1 . 1 1 13 13 GLY H H 13 8.563 8.563 8.090 0.473 25818 58 1 . 1 1 14 14 PHE N N 14 120.589 120.589 123.078 -2.489 25818 59 1 . 1 1 14 14 PHE HA H 14 4.210 4.210 4.385 -0.175 25818 60 1 . 1 1 14 14 PHE C C 14 177.591 177.591 177.301 0.290 25818 61 1 . 1 1 14 14 PHE CA C 14 61.702 61.702 59.951 1.751 25818 62 1 . 1 1 14 14 PHE CB C 14 38.916 38.916 39.321 -0.405 25818 63 1 . 1 1 14 14 PHE H H 14 8.678 8.678 8.481 0.197 25818 64 1 . 1 1 15 15 GLY N N 15 106.691 106.691 107.940 -1.249 25818 65 1 . 1 1 15 15 GLY C C 15 174.533 174.533 175.908 -1.375 25818 66 1 . 1 1 15 15 GLY CA C 15 47.707 47.707 47.146 0.561 25818 67 1 . 1 1 15 15 GLY H H 15 8.582 8.582 8.593 -0.011 25818 68 1 . 1 1 16 16 ILE N N 16 120.894 120.894 122.830 -1.936 25818 69 1 . 1 1 16 16 ILE HA H 16 3.640 3.640 3.835 -0.195 25818 70 1 . 1 1 16 16 ILE C C 16 178.658 178.658 177.502 1.156 25818 71 1 . 1 1 16 16 ILE CA C 16 65.430 65.430 64.286 1.144 25818 72 1 . 1 1 16 16 ILE CB C 16 37.188 37.188 37.891 -0.703 25818 73 1 . 1 1 16 16 ILE H H 16 8.599 8.599 7.792 0.807 25818 74 1 . 1 1 17 17 LEU N N 17 123.149 123.149 121.557 1.592 25818 75 1 . 1 1 17 17 LEU HA H 17 3.960 3.960 4.004 -0.044 25818 76 1 . 1 1 17 17 LEU C C 17 178.207 178.207 178.958 -0.751 25818 77 1 . 1 1 17 17 LEU CA C 17 58.861 58.861 58.405 0.456 25818 78 1 . 1 1 17 17 LEU CB C 17 41.613 41.613 41.764 -0.151 25818 79 1 . 1 1 17 17 LEU H H 17 8.206 8.206 7.732 0.474 25818 80 1 . 1 1 18 18 ILE N N 18 117.975 117.975 119.204 -1.229 25818 81 1 . 1 1 18 18 ILE HA H 18 3.562 3.562 3.480 0.082 25818 82 1 . 1 1 18 18 ILE C C 18 177.738 177.738 178.108 -0.370 25818 83 1 . 1 1 18 18 ILE CA C 18 64.569 64.569 64.941 -0.372 25818 84 1 . 1 1 18 18 ILE CB C 18 36.512 36.512 37.118 -0.606 25818 85 1 . 1 1 18 18 ILE H H 18 8.455 8.455 7.450 1.005 25818 86 1 . 1 1 19 19 PHE N N 19 119.303 119.303 120.171 -0.868 25818 87 1 . 1 1 19 19 PHE HA H 19 4.069 4.069 4.045 0.024 25818 88 1 . 1 1 19 19 PHE C C 19 177.069 177.069 177.589 -0.520 25818 89 1 . 1 1 19 19 PHE CA C 19 61.951 61.951 61.987 -0.036 25818 90 1 . 1 1 19 19 PHE CB C 19 39.118 39.118 38.917 0.201 25818 91 1 . 1 1 19 19 PHE H H 19 8.609 8.609 7.886 0.723 25818 92 1 . 1 1 20 20 SER N N 20 114.834 114.834 116.072 -1.238 25818 93 1 . 1 1 20 20 SER HA H 20 4.010 4.010 4.059 -0.049 25818 94 1 . 1 1 20 20 SER C C 20 176.951 176.951 176.530 0.421 25818 95 1 . 1 1 20 20 SER CA C 20 63.441 63.441 61.757 1.684 25818 96 1 . 1 1 20 20 SER H H 20 8.571 8.571 8.273 0.298 25818 97 1 . 1 1 21 21 LEU N N 21 124.956 124.956 123.460 1.496 25818 98 1 . 1 1 21 21 LEU HA H 21 4.052 4.052 4.017 0.035 25818 99 1 . 1 1 21 21 LEU C C 21 178.041 178.041 178.388 -0.347 25818 100 1 . 1 1 21 21 LEU CA C 21 58.331 58.331 58.170 0.161 25818 101 1 . 1 1 21 21 LEU CB C 21 41.771 41.771 41.978 -0.207 25818 102 1 . 1 1 21 21 LEU H H 21 8.193 8.193 8.257 -0.064 25818 103 1 . 1 1 22 22 ILE N N 22 119.365 119.365 118.714 0.651 25818 104 1 . 1 1 22 22 ILE HA H 22 3.602 3.602 3.614 -0.012 25818 105 1 . 1 1 22 22 ILE C C 22 178.539 178.539 177.933 0.606 25818 106 1 . 1 1 22 22 ILE CA C 22 65.963 65.963 65.411 0.552 25818 107 1 . 1 1 22 22 ILE CB C 22 37.864 37.864 37.591 0.273 25818 108 1 . 1 1 22 22 ILE H H 22 8.131 8.131 7.620 0.511 25818 109 1 . 1 1 23 23 VAL N N 23 119.397 119.397 120.690 -1.293 25818 110 1 . 1 1 23 23 VAL HA H 23 3.342 3.342 3.569 -0.227 25818 111 1 . 1 1 23 23 VAL C C 23 177.330 177.330 178.107 -0.777 25818 112 1 . 1 1 23 23 VAL CA C 23 67.683 67.683 67.012 0.671 25818 113 1 . 1 1 23 23 VAL CB C 23 31.371 31.371 31.350 0.021 25818 114 1 . 1 1 23 23 VAL H H 23 8.440 8.440 7.544 0.896 25818 115 1 . 1 1 24 24 THR N N 24 114.854 114.854 116.692 -1.838 25818 116 1 . 1 1 24 24 THR HA H 24 4.172 4.172 3.953 0.219 25818 117 1 . 1 1 24 24 THR C C 24 176.382 176.382 176.331 0.051 25818 118 1 . 1 1 24 24 THR CA C 24 68.010 68.010 67.103 0.907 25818 119 1 . 1 1 24 24 THR H H 24 7.969 7.969 8.376 -0.407 25818 120 1 . 1 1 25 25 TYR N N 25 121.421 121.421 123.393 -1.972 25818 121 1 . 1 1 25 25 TYR HA H 25 4.010 4.010 4.167 -0.157 25818 122 1 . 1 1 25 25 TYR C C 25 177.425 177.425 177.223 0.202 25818 123 1 . 1 1 25 25 TYR CA C 25 62.436 62.436 62.091 0.345 25818 124 1 . 1 1 25 25 TYR CB C 25 38.766 38.766 38.356 0.410 25818 125 1 . 1 1 25 25 TYR H H 25 8.364 8.364 7.959 0.405 25818 126 1 . 1 1 26 26 CYS N N 26 116.170 116.170 118.021 -1.851 25818 127 1 . 1 1 26 26 CYS HA H 26 3.939 3.939 3.967 -0.028 25818 128 1 . 1 1 26 26 CYS C C 26 176.335 176.335 177.190 -0.855 25818 129 1 . 1 1 26 26 CYS CA C 26 64.243 64.243 64.292 -0.049 25818 130 1 . 1 1 26 26 CYS CB C 26 27.470 27.470 26.973 0.497 25818 131 1 . 1 1 26 26 CYS H H 26 8.323 8.323 8.119 0.204 25818 132 1 . 1 1 27 27 ILE N N 27 116.693 116.693 121.128 -4.435 25818 133 1 . 1 1 27 27 ILE HA H 27 3.796 3.796 3.539 0.257 25818 134 1 . 1 1 27 27 ILE C C 27 176.737 176.737 177.655 -0.917 25818 135 1 . 1 1 27 27 ILE CA C 27 64.107 64.107 65.465 -1.357 25818 136 1 . 1 1 27 27 ILE CB C 27 37.875 37.875 37.645 0.230 25818 137 1 . 1 1 27 27 ILE H H 27 8.259 8.259 7.883 0.377 25818 138 1 . 1 1 28 28 ASN N N 28 117.531 117.531 118.227 -0.696 25818 139 1 . 1 1 28 28 ASN HA H 28 4.429 4.429 4.307 0.122 25818 140 1 . 1 1 28 28 ASN C C 28 175.766 175.766 177.195 -1.429 25818 141 1 . 1 1 28 28 ASN CA C 28 55.852 55.852 56.223 -0.371 25818 142 1 . 1 1 28 28 ASN CB C 28 39.764 39.764 38.053 1.711 25818 143 1 . 1 1 28 28 ASN H H 28 7.853 7.853 8.051 -0.197 25818 144 1 . 1 1 29 29 ALA N N 29 120.505 120.505 122.444 -1.939 25818 145 1 . 1 1 29 29 ALA HA H 29 4.118 4.118 4.007 0.111 25818 146 1 . 1 1 29 29 ALA C C 29 177.638 177.638 179.329 -1.691 25818 147 1 . 1 1 29 29 ALA CA C 29 53.303 53.303 54.669 -1.366 25818 148 1 . 1 1 29 29 ALA CB C 29 18.985 18.985 18.552 0.433 25818 149 1 . 1 1 29 29 ALA H H 29 8.050 8.050 7.660 0.390 25818 150 1 . 1 1 30 30 LYS N N 30 116.476 116.476 118.301 -1.825 25818 151 1 . 1 1 30 30 LYS HA H 30 4.327 4.327 4.007 0.320 25818 152 1 . 1 1 30 30 LYS C C 30 176.192 176.192 178.255 -2.063 25818 153 1 . 1 1 30 30 LYS CA C 30 55.493 55.493 58.877 -3.384 25818 154 1 . 1 1 30 30 LYS CB C 30 31.831 31.831 32.271 -0.440 25818 155 1 . 1 1 30 30 LYS H H 30 7.771 7.771 7.842 -0.071 25818 156 1 . 1 1 31 31 ALA N N 31 122.457 122.457 121.105 1.352 25818 157 1 . 1 1 31 31 ALA HA H 31 4.129 4.129 4.347 -0.218 25818 158 1 . 1 1 31 31 ALA C C 31 177.401 177.401 179.100 -1.699 25818 159 1 . 1 1 31 31 ALA CA C 31 53.738 53.738 54.266 -0.528 25818 160 1 . 1 1 31 31 ALA CB C 31 19.262 19.262 18.870 0.393 25818 161 1 . 1 1 31 31 ALA H H 31 7.924 7.924 7.793 0.131 25818 162 1 . 1 1 32 32 ASP N N 32 116.883 116.883 119.815 -2.932 25818 163 1 . 1 1 32 32 ASP HA H 32 4.425 4.425 4.557 -0.132 25818 164 1 . 1 1 32 32 ASP C C 32 176.690 176.690 178.061 -1.371 25818 165 1 . 1 1 32 32 ASP CA C 32 55.303 55.303 57.219 -1.916 25818 166 1 . 1 1 32 32 ASP CB C 32 40.220 40.220 40.650 -0.430 25818 167 1 . 1 1 32 32 ASP H H 32 8.401 8.401 7.965 0.436 25818 168 1 . 1 1 33 33 VAL N N 33 116.175 116.175 119.150 -2.975 25818 169 1 . 1 1 33 33 VAL HA H 33 4.082 4.082 3.801 0.281 25818 170 1 . 1 1 33 33 VAL C C 33 175.552 175.552 176.922 -1.370 25818 171 1 . 1 1 33 33 VAL CA C 33 62.761 62.761 65.170 -2.409 25818 172 1 . 1 1 33 33 VAL CB C 33 32.406 32.406 31.612 0.794 25818 173 1 . 1 1 33 33 VAL H H 33 7.665 7.665 7.741 -0.076 25818 174 1 . 1 1 34 34 LEU N N 34 120.012 120.012 119.037 0.975 25818 175 1 . 1 1 34 34 LEU HA H 34 4.140 4.140 4.218 -0.078 25818 176 1 . 1 1 34 34 LEU C C 34 176.382 176.382 178.053 -1.671 25818 177 1 . 1 1 34 34 LEU CA C 34 55.664 55.664 56.729 -1.065 25818 178 1 . 1 1 34 34 LEU CB C 34 42.486 42.486 42.298 0.188 25818 179 1 . 1 1 34 34 LEU H H 34 7.795 7.795 7.422 0.373 25818 180 1 . 1 1 35 35 PHE N N 35 116.572 116.572 116.218 0.354 25818 181 1 . 1 1 35 35 PHE HA H 35 4.595 4.595 4.375 0.220 25818 182 1 . 1 1 35 35 PHE C C 35 174.960 174.960 176.744 -1.784 25818 183 1 . 1 1 35 35 PHE CA C 35 57.734 57.734 59.775 -2.040 25818 184 1 . 1 1 35 35 PHE CB C 35 39.289 39.289 38.848 0.441 25818 185 1 . 1 1 35 35 PHE H H 35 7.793 7.793 7.710 0.083 25818 186 1 . 1 1 36 36 ILE N N 36 119.136 119.136 118.732 0.404 25818 187 1 . 1 1 36 36 ILE HA H 36 4.108 4.108 4.037 0.071 25818 188 1 . 1 1 36 36 ILE C C 36 174.975 174.975 176.453 -1.478 25818 189 1 . 1 1 36 36 ILE CA C 36 60.863 60.863 62.077 -1.214 25818 190 1 . 1 1 36 36 ILE CB C 36 39.010 39.010 38.032 0.978 25818 191 1 . 1 1 36 36 ILE H H 36 7.686 7.686 7.681 0.005 25818 192 1 . 1 1 37 37 ALA N N 37 127.555 127.555 122.628 4.927 25818 193 1 . 1 1 37 37 ALA HA H 37 4.513 4.513 4.510 0.003 25818 194 1 . 1 1 37 37 ALA CA C 37 50.437 50.437 50.514 -0.077 25818 195 1 . 1 1 37 37 ALA CB C 37 18.317 18.317 18.319 -0.002 25818 196 1 . 1 1 37 37 ALA H H 37 8.169 8.169 7.945 0.224 25818 197 1 . 1 1 38 38 PRO HA H 38 4.385 4.385 4.379 0.006 25818 198 1 . 1 1 38 38 PRO C C 38 176.643 176.643 176.157 0.486 25818 199 1 . 1 1 38 38 PRO CA C 38 62.998 62.998 62.887 0.111 25818 200 1 . 1 1 38 38 PRO CB C 38 31.849 31.849 32.381 -0.532 25818 201 1 . 1 1 39 39 ARG N N 39 121.037 121.037 120.558 0.479 25818 202 1 . 1 1 39 39 ARG HA H 39 4.277 4.277 4.385 -0.108 25818 203 1 . 1 1 39 39 ARG C C 39 176.026 176.026 175.969 0.057 25818 204 1 . 1 1 39 39 ARG CA C 39 55.808 55.808 55.932 -0.124 25818 205 1 . 1 1 39 39 ARG CB C 39 31.178 31.178 30.688 0.490 25818 206 1 . 1 1 39 39 ARG H H 39 8.311 8.311 8.359 -0.048 25818 207 1 . 1 1 40 40 GLU N N 40 122.834 122.834 123.699 -0.865 25818 208 1 . 1 1 40 40 GLU HA H 40 4.284 4.284 4.571 -0.287 25818 209 1 . 1 1 40 40 GLU CA C 40 54.336 54.336 54.079 0.257 25818 210 1 . 1 1 40 40 GLU CB C 40 29.606 29.606 29.512 0.094 25818 211 1 . 1 1 40 40 GLU H H 40 8.346 8.346 8.465 -0.119 25818 212 1 . 1 1 41 41 PRO HA H 41 4.332 4.332 4.278 0.054 25818 213 1 . 1 1 41 41 PRO C C 41 177.496 177.496 177.238 0.258 25818 214 1 . 1 1 41 41 PRO CA C 41 63.793 63.793 63.763 0.030 25818 215 1 . 1 1 41 41 PRO CB C 41 31.794 31.794 31.859 -0.065 25818 216 1 . 1 1 42 42 GLY N N 42 108.890 108.890 108.687 0.203 25818 217 1 . 1 1 42 42 GLY C C 42 173.808 173.808 174.278 -0.470 25818 218 1 . 1 1 42 42 GLY CA C 42 45.233 45.233 44.941 0.292 25818 219 1 . 1 1 42 42 GLY H H 42 8.412 8.412 8.316 0.096 25818 220 1 . 1 1 43 43 ALA N N 43 123.534 123.534 122.464 1.070 25818 221 1 . 1 1 43 43 ALA HA H 43 4.297 4.297 4.154 0.143 25818 222 1 . 1 1 43 43 ALA C C 43 177.567 177.567 177.132 0.435 25818 223 1 . 1 1 43 43 ALA CA C 43 52.486 52.486 52.670 -0.184 25818 224 1 . 1 1 43 43 ALA CB C 43 19.425 19.425 18.921 0.504 25818 225 1 . 1 1 43 43 ALA H H 43 7.929 7.929 7.877 0.052 25818 226 1 . 1 1 44 44 VAL N N 44 118.351 118.351 120.514 -2.163 25818 227 1 . 1 1 44 44 VAL HA H 44 4.118 4.118 4.061 0.057 25818 228 1 . 1 1 44 44 VAL C C 44 175.647 175.647 175.877 -0.230 25818 229 1 . 1 1 44 44 VAL CA C 44 62.060 62.060 62.257 -0.197 25818 230 1 . 1 1 44 44 VAL CB C 44 32.901 32.901 32.209 0.692 25818 231 1 . 1 1 44 44 VAL H H 44 7.985 7.985 8.031 -0.046 25818 232 1 . 1 1 45 45 SER N N 45 119.089 119.089 122.061 -2.972 25818 233 1 . 1 1 45 45 SER HA H 45 4.394 4.394 4.416 -0.022 25818 234 1 . 1 1 45 45 SER C C 45 172.840 172.840 173.991 -1.151 25818 235 1 . 1 1 45 45 SER CA C 45 57.993 57.993 58.411 -0.418 25818 236 1 . 1 1 45 45 SER CB C 45 64.261 64.261 63.595 0.666 25818 237 1 . 1 1 45 45 SER H H 45 8.081 8.081 8.365 -0.284 25818 stop_ save_