data_25181 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25181 _Entry.PDB_ID 2MTS 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 25181 _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 LEU N N 2 121.238 121.238 122.772 -1.534 25181 2 1 1 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.723 1.017 25181 3 1 1 . 1 1 2 2 LEU H H 2 8.866 8.866 8.255 0.611 25181 4 1 1 . 1 1 3 3 GLU N N 3 119.669 119.669 120.246 -0.577 25181 5 1 1 . 1 1 3 3 GLU CA C 3 56.800 56.800 55.041 1.759 25181 6 1 1 . 1 1 3 3 GLU H H 3 8.812 8.812 8.269 0.543 25181 7 1 1 . 1 1 4 4 ASN N N 4 117.251 117.251 119.461 -2.210 25181 8 1 1 . 1 1 4 4 ASN CA C 4 53.610 53.610 55.731 -2.122 25181 9 1 1 . 1 1 4 4 ASN H H 4 8.318 8.318 8.588 -0.270 25181 10 1 1 . 1 1 5 5 LEU N N 5 120.686 120.686 117.839 2.847 25181 11 1 1 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.381 -1.501 25181 12 1 1 . 1 1 5 5 LEU H H 5 8.104 8.104 8.563 -0.459 25181 13 1 1 . 1 1 6 6 VAL N N 6 118.674 118.674 118.523 0.151 25181 14 1 1 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.673 -2.113 25181 15 1 1 . 1 1 6 6 VAL H H 6 7.955 7.955 7.016 0.939 25181 16 1 1 . 1 1 7 7 VAL N N 7 120.217 120.217 120.017 0.200 25181 17 1 1 . 1 1 7 7 VAL CA C 7 63.330 63.330 64.866 -1.536 25181 18 1 1 . 1 1 7 7 VAL H H 7 7.929 7.929 7.383 0.546 25181 19 1 1 . 1 1 8 8 LEU N N 8 121.924 121.924 121.501 0.423 25181 20 1 1 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.195 -2.685 25181 21 1 1 . 1 1 8 8 LEU H H 8 8.060 8.060 8.928 -0.868 25181 22 1 1 . 1 1 9 9 ASN N N 9 118.024 118.024 116.812 1.212 25181 23 1 1 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.663 -3.103 25181 24 1 1 . 1 1 9 9 ASN H H 9 8.256 8.256 7.882 0.374 25181 25 1 1 . 1 1 10 10 ALA N N 10 123.164 123.164 122.723 0.441 25181 26 1 1 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.751 -1.421 25181 27 1 1 . 1 1 10 10 ALA H H 10 8.372 8.372 7.397 0.975 25181 28 1 1 . 1 1 11 11 ALA N N 11 119.814 119.814 122.543 -2.729 25181 29 1 1 . 1 1 11 11 ALA CA C 11 53.420 53.420 55.468 -2.048 25181 30 1 1 . 1 1 11 11 ALA H H 11 8.272 8.272 8.752 -0.480 25181 31 1 1 . 1 1 12 12 SER N N 12 113.158 113.158 113.717 -0.559 25181 32 1 1 . 1 1 12 12 SER CA C 12 60.400 60.400 61.057 -0.657 25181 33 1 1 . 1 1 12 12 SER H H 12 8.090 8.090 7.801 0.289 25181 34 1 1 . 1 1 13 13 VAL N N 13 119.626 119.626 122.375 -2.749 25181 35 1 1 . 1 1 13 13 VAL CA C 13 63.380 63.380 64.792 -1.412 25181 36 1 1 . 1 1 13 13 VAL H H 13 7.946 7.946 7.425 0.521 25181 37 1 1 . 1 1 14 14 ALA N N 14 123.520 123.520 119.731 3.789 25181 38 1 1 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.416 -1.266 25181 39 1 1 . 1 1 14 14 ALA H H 14 8.189 8.189 8.424 -0.235 25181 40 1 1 . 1 1 15 15 GLY N N 15 106.080 106.080 104.499 1.581 25181 41 1 1 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.386 -0.156 25181 42 1 1 . 1 1 15 15 GLY H H 15 8.290 8.290 8.212 0.078 25181 43 1 1 . 1 1 16 16 ALA N N 16 123.019 123.019 125.150 -2.131 25181 44 1 1 . 1 1 16 16 ALA CA C 16 53.280 53.280 55.327 -2.047 25181 45 1 1 . 1 1 16 16 ALA H H 16 8.343 8.343 8.693 -0.350 25181 46 1 1 . 1 1 17 17 HIS N N 17 115.511 115.511 116.085 -0.574 25181 47 1 1 . 1 1 17 17 HIS CA C 17 57.080 57.080 58.969 -1.889 25181 48 1 1 . 1 1 17 17 HIS H H 17 8.626 8.626 8.945 -0.319 25181 49 1 1 . 1 1 18 18 GLY N N 18 109.241 109.241 107.903 1.338 25181 50 1 1 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.584 -0.104 25181 51 1 1 . 1 1 18 18 GLY H H 18 8.542 8.542 7.996 0.546 25181 52 1 1 . 1 1 19 19 ILE N N 19 120.602 120.602 118.240 2.362 25181 53 1 1 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.950 -0.390 25181 54 1 1 . 1 1 19 19 ILE H H 19 8.379 8.379 7.934 0.445 25181 55 1 1 . 1 1 20 20 LEU N N 20 120.271 120.271 119.732 0.539 25181 56 1 1 . 1 1 20 20 LEU CA C 20 58.100 58.100 57.403 0.697 25181 57 1 1 . 1 1 20 20 LEU H H 20 8.447 8.447 8.079 0.368 25181 58 1 1 . 1 1 21 21 SER N N 21 114.238 114.238 116.069 -1.831 25181 59 1 1 . 1 1 21 21 SER CA C 21 62.360 62.360 61.689 0.671 25181 60 1 1 . 1 1 21 21 SER H H 21 8.288 8.288 7.860 0.428 25181 61 1 1 . 1 1 22 22 PHE N N 22 120.907 120.907 121.055 -0.148 25181 62 1 1 . 1 1 22 22 PHE CA C 22 61.670 61.670 59.368 2.302 25181 63 1 1 . 1 1 22 22 PHE H H 22 8.199 8.199 7.792 0.407 25181 64 1 1 . 1 1 23 23 LEU N N 23 118.536 118.536 122.198 -3.662 25181 65 1 1 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.420 -0.460 25181 66 1 1 . 1 1 23 23 LEU H H 23 8.613 8.613 7.940 0.673 25181 67 1 1 . 1 1 24 24 VAL N N 24 120.897 120.897 116.692 4.205 25181 68 1 1 . 1 1 24 24 VAL CA C 24 66.990 66.990 66.736 0.255 25181 69 1 1 . 1 1 24 24 VAL H H 24 8.651 8.651 7.500 1.151 25181 70 1 1 . 1 1 25 25 PHE N N 25 119.495 119.495 120.970 -1.475 25181 71 1 1 . 1 1 25 25 PHE CA C 25 61.620 61.620 60.815 0.805 25181 72 1 1 . 1 1 25 25 PHE H H 25 8.372 8.372 7.893 0.479 25181 73 1 1 . 1 1 26 26 PHE N N 26 117.500 117.500 120.555 -3.055 25181 74 1 1 . 1 1 26 26 PHE CA C 26 61.480 61.480 62.354 -0.874 25181 75 1 1 . 1 1 26 26 PHE H H 26 8.990 8.990 9.306 -0.316 25181 76 1 1 . 1 1 27 27 SER N N 27 114.828 114.828 115.498 -0.670 25181 77 1 1 . 1 1 27 27 SER CA C 27 62.680 62.680 62.370 0.310 25181 78 1 1 . 1 1 27 27 SER H H 27 8.332 8.332 8.149 0.183 25181 79 1 1 . 1 1 28 28 ALA N N 28 123.714 123.714 122.429 1.285 25181 80 1 1 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.211 0.649 25181 81 1 1 . 1 1 28 28 ALA H H 28 8.370 8.370 7.552 0.818 25181 82 1 1 . 1 1 29 29 ALA N N 29 119.273 119.273 121.517 -2.244 25181 83 1 1 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.451 0.079 25181 84 1 1 . 1 1 29 29 ALA H H 29 8.309 8.309 7.294 1.015 25181 85 1 1 . 1 1 30 30 TRP N N 30 118.586 118.586 119.449 -0.863 25181 86 1 1 . 1 1 30 30 TRP CA C 30 60.280 60.280 61.313 -1.034 25181 87 1 1 . 1 1 30 30 TRP H H 30 8.493 8.493 8.511 -0.018 25181 88 1 1 . 1 1 31 31 TYR N N 31 119.618 119.618 119.453 0.165 25181 89 1 1 . 1 1 31 31 TYR CA C 31 61.110 61.110 60.655 0.455 25181 90 1 1 . 1 1 31 31 TYR H H 31 8.448 8.448 7.603 0.845 25181 91 1 1 . 1 1 32 32 ILE N N 32 117.717 117.717 118.617 -0.900 25181 92 1 1 . 1 1 32 32 ILE CA C 32 64.120 64.120 63.439 0.681 25181 93 1 1 . 1 1 32 32 ILE H H 32 8.398 8.398 7.379 1.019 25181 94 1 1 . 1 1 33 33 LYS N N 33 119.439 119.439 119.267 0.172 25181 95 1 1 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.384 0.906 25181 96 1 1 . 1 1 33 33 LYS H H 33 8.170 8.170 7.588 0.582 25181 97 1 1 . 1 1 34 34 GLY N N 34 105.462 105.462 106.727 -1.265 25181 98 1 1 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.122 0.338 25181 99 1 1 . 1 1 34 34 GLY H H 34 7.886 7.886 7.888 -0.002 25181 100 1 1 . 1 1 35 35 ARG N N 35 118.092 118.092 115.883 2.209 25181 101 1 1 . 1 1 35 35 ARG CA C 35 55.460 55.460 55.489 -0.029 25181 102 1 1 . 1 1 35 35 ARG H H 35 7.702 7.702 8.012 -0.310 25181 103 1 1 . 1 1 36 36 LEU N N 36 119.012 119.012 123.205 -4.193 25181 104 1 1 . 1 1 36 36 LEU CA C 36 54.400 54.400 55.199 -0.798 25181 105 1 1 . 1 1 36 36 LEU H H 36 7.676 7.676 8.193 -0.517 25181 106 1 1 . 1 1 37 37 ALA N N 37 124.067 124.067 123.090 0.977 25181 107 1 1 . 1 1 37 37 ALA CA C 37 50.140 50.140 51.412 -1.272 25181 108 1 1 . 1 1 37 37 ALA H H 37 8.133 8.133 8.303 -0.170 25181 109 1 1 . 1 1 39 39 GLY N N 39 108.143 108.143 110.592 -2.449 25181 110 1 1 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.195 0.035 25181 111 1 1 . 1 1 39 39 GLY H H 39 8.582 8.582 8.603 -0.021 25181 112 1 1 . 1 1 40 40 ALA N N 40 123.368 123.368 126.484 -3.116 25181 113 1 1 . 1 1 40 40 ALA CA C 40 52.500 52.500 53.533 -1.033 25181 114 1 1 . 1 1 40 40 ALA H H 40 8.007 8.007 8.216 -0.209 25181 115 1 1 . 1 1 41 41 ALA N N 41 121.434 121.434 120.737 0.697 25181 116 1 1 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.150 -0.960 25181 117 1 1 . 1 1 41 41 ALA H H 41 8.330 8.330 8.344 -0.014 25181 118 1 1 . 1 1 42 42 TYR N N 42 116.666 116.666 117.670 -1.004 25181 119 1 1 . 1 1 42 42 TYR CA C 42 58.380 58.380 60.853 -2.473 25181 120 1 1 . 1 1 42 42 TYR H H 42 7.939 7.939 8.067 -0.128 25181 121 1 1 . 1 1 43 43 ALA N N 43 122.521 122.521 123.584 -1.063 25181 122 1 1 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.832 -1.682 25181 123 1 1 . 1 1 43 43 ALA H H 43 8.029 8.029 7.981 0.048 25181 124 1 1 . 1 1 44 44 PHE N N 44 116.483 116.483 117.964 -1.481 25181 125 1 1 . 1 1 44 44 PHE CA C 44 58.790 58.790 60.919 -2.129 25181 126 1 1 . 1 1 44 44 PHE H H 44 8.071 8.071 8.744 -0.673 25181 127 1 1 . 1 1 45 45 TYR N N 45 117.436 117.436 118.280 -0.844 25181 128 1 1 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.164 -1.094 25181 129 1 1 . 1 1 45 45 TYR H H 45 7.986 7.986 7.557 0.429 25181 130 1 1 . 1 1 46 46 GLY N N 46 105.143 105.143 106.755 -1.612 25181 131 1 1 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.726 -1.266 25181 132 1 1 . 1 1 46 46 GLY H H 46 8.072 8.072 8.327 -0.255 25181 133 1 1 . 1 1 47 47 VAL N N 47 114.672 114.672 112.298 2.374 25181 134 1 1 . 1 1 47 47 VAL CA C 47 62.820 62.820 60.442 2.378 25181 135 1 1 . 1 1 47 47 VAL H H 47 7.914 7.914 7.897 0.017 25181 136 1 1 . 1 1 48 48 TRP N N 48 120.754 120.754 124.773 -4.019 25181 137 1 1 . 1 1 48 48 TRP CA C 48 61.900 61.900 61.995 -0.095 25181 138 1 1 . 1 1 48 48 TRP H H 48 8.047 8.047 7.792 0.255 25181 139 1 1 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.933 0.897 25181 140 1 1 . 1 1 50 50 LEU N N 50 113.896 113.896 119.443 -5.547 25181 141 1 1 . 1 1 50 50 LEU CA C 50 57.680 57.680 56.796 0.884 25181 142 1 1 . 1 1 50 50 LEU H H 50 7.205 7.205 7.868 -0.663 25181 143 1 1 . 1 1 51 51 LEU N N 51 117.594 117.594 119.411 -1.817 25181 144 1 1 . 1 1 51 51 LEU CA C 51 57.620 57.620 56.704 0.916 25181 145 1 1 . 1 1 51 51 LEU H H 51 8.005 8.005 7.390 0.615 25181 146 1 1 . 1 1 52 52 LEU N N 52 116.078 116.078 119.937 -3.859 25181 147 1 1 . 1 1 52 52 LEU CA C 52 57.580 57.580 58.125 -0.545 25181 148 1 1 . 1 1 52 52 LEU H H 52 7.992 7.992 7.743 0.249 25181 149 1 1 . 1 1 53 53 LEU N N 53 117.006 117.006 115.191 1.815 25181 150 1 1 . 1 1 53 53 LEU CA C 53 56.750 56.750 56.624 0.126 25181 151 1 1 . 1 1 53 53 LEU H H 53 7.719 7.719 7.423 0.296 25181 152 1 1 . 1 1 54 54 LEU N N 54 116.037 116.037 121.178 -5.141 25181 153 1 1 . 1 1 54 54 LEU CA C 54 57.500 57.500 57.682 -0.182 25181 154 1 1 . 1 1 54 54 LEU H H 54 7.957 7.957 7.273 0.684 25181 155 1 1 . 1 1 55 55 LEU N N 55 115.858 115.858 118.086 -2.228 25181 156 1 1 . 1 1 55 55 LEU CA C 55 56.020 56.020 55.758 0.262 25181 157 1 1 . 1 1 55 55 LEU H H 55 7.882 7.882 8.150 -0.268 25181 158 1 1 . 1 1 56 56 ALA N N 56 119.026 119.026 120.711 -1.685 25181 159 1 1 . 1 1 56 56 ALA CA C 56 51.990 51.990 54.768 -2.778 25181 160 1 1 . 1 1 56 56 ALA H H 56 7.828 7.828 7.591 0.237 25181 161 1 1 . 1 1 57 57 LEU N N 57 118.319 118.319 112.042 6.277 25181 162 1 1 . 1 1 57 57 LEU CA C 57 53.330 53.330 50.660 2.670 25181 163 1 1 . 1 1 57 57 LEU H H 57 7.548 7.548 7.398 0.150 25181 164 1 1 . 1 1 59 59 PRO CA C 59 63.610 63.610 65.000 -1.390 25181 165 1 1 . 1 1 60 60 ARG N N 60 117.573 117.573 118.754 -1.181 25181 166 1 1 . 1 1 60 60 ARG CA C 60 56.110 56.110 55.642 0.468 25181 167 1 1 . 1 1 60 60 ARG H H 60 8.170 8.170 8.577 -0.407 25181 168 1 1 . 1 1 61 61 ALA N N 61 122.434 122.434 120.991 1.443 25181 169 1 1 . 1 1 61 61 ALA CA C 61 52.450 52.450 50.839 1.611 25181 170 1 1 . 1 1 61 61 ALA H H 61 8.244 8.244 7.830 0.414 25181 171 1 1 . 1 1 62 62 TYR N N 62 116.252 116.252 120.763 -4.511 25181 172 1 1 . 1 1 62 62 TYR CA C 62 56.760 56.760 57.688 -0.928 25181 173 1 1 . 1 1 62 62 TYR H H 62 7.796 7.796 8.497 -0.701 25181 174 1 2 . 1 1 2 2 LEU N N 2 121.238 121.238 120.838 0.400 25181 175 1 2 . 1 1 2 2 LEU CA C 2 55.740 55.740 55.878 -0.138 25181 176 1 2 . 1 1 2 2 LEU H H 2 8.866 8.866 8.066 0.800 25181 177 1 2 . 1 1 3 3 GLU N N 3 119.669 119.669 118.064 1.605 25181 178 1 2 . 1 1 3 3 GLU CA C 3 56.800 56.800 57.993 -1.193 25181 179 1 2 . 1 1 3 3 GLU H H 3 8.812 8.812 8.364 0.448 25181 180 1 2 . 1 1 4 4 ASN N N 4 117.251 117.251 115.466 1.785 25181 181 1 2 . 1 1 4 4 ASN CA C 4 53.610 53.610 54.521 -0.911 25181 182 1 2 . 1 1 4 4 ASN H H 4 8.318 8.318 8.376 -0.058 25181 183 1 2 . 1 1 5 5 LEU N N 5 120.686 120.686 122.539 -1.853 25181 184 1 2 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.624 -1.744 25181 185 1 2 . 1 1 5 5 LEU H H 5 8.104 8.104 7.898 0.206 25181 186 1 2 . 1 1 6 6 VAL N N 6 118.674 118.674 118.581 0.093 25181 187 1 2 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.957 -2.397 25181 188 1 2 . 1 1 6 6 VAL H H 6 7.955 7.955 8.137 -0.182 25181 189 1 2 . 1 1 7 7 VAL N N 7 120.217 120.217 118.898 1.319 25181 190 1 2 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.929 -2.599 25181 191 1 2 . 1 1 7 7 VAL H H 7 7.929 7.929 7.606 0.323 25181 192 1 2 . 1 1 8 8 LEU N N 8 121.924 121.924 119.758 2.166 25181 193 1 2 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.045 -2.535 25181 194 1 2 . 1 1 8 8 LEU H H 8 8.060 8.060 8.298 -0.238 25181 195 1 2 . 1 1 9 9 ASN N N 9 118.024 118.024 115.768 2.256 25181 196 1 2 . 1 1 9 9 ASN CA C 9 53.560 53.560 55.923 -2.363 25181 197 1 2 . 1 1 9 9 ASN H H 9 8.256 8.256 7.618 0.638 25181 198 1 2 . 1 1 10 10 ALA N N 10 123.164 123.164 122.615 0.549 25181 199 1 2 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.654 -1.324 25181 200 1 2 . 1 1 10 10 ALA H H 10 8.372 8.372 8.429 -0.057 25181 201 1 2 . 1 1 11 11 ALA N N 11 119.814 119.814 120.771 -0.957 25181 202 1 2 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.767 -1.347 25181 203 1 2 . 1 1 11 11 ALA H H 11 8.272 8.272 8.054 0.218 25181 204 1 2 . 1 1 12 12 SER N N 12 113.158 113.158 113.947 -0.789 25181 205 1 2 . 1 1 12 12 SER CA C 12 60.400 60.400 61.390 -0.990 25181 206 1 2 . 1 1 12 12 SER H H 12 8.090 8.090 7.683 0.407 25181 207 1 2 . 1 1 13 13 VAL N N 13 119.626 119.626 119.043 0.583 25181 208 1 2 . 1 1 13 13 VAL CA C 13 63.380 63.380 63.132 0.248 25181 209 1 2 . 1 1 13 13 VAL H H 13 7.946 7.946 8.049 -0.103 25181 210 1 2 . 1 1 14 14 ALA N N 14 123.520 123.520 120.742 2.778 25181 211 1 2 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.001 -0.851 25181 212 1 2 . 1 1 14 14 ALA H H 14 8.189 8.189 7.632 0.557 25181 213 1 2 . 1 1 15 15 GLY N N 15 106.080 106.080 104.345 1.735 25181 214 1 2 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.286 -0.056 25181 215 1 2 . 1 1 15 15 GLY H H 15 8.290 8.290 7.869 0.421 25181 216 1 2 . 1 1 16 16 ALA N N 16 123.019 123.019 125.674 -2.655 25181 217 1 2 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.273 -0.993 25181 218 1 2 . 1 1 16 16 ALA H H 16 8.343 8.343 8.544 -0.201 25181 219 1 2 . 1 1 17 17 HIS N N 17 115.511 115.511 115.104 0.407 25181 220 1 2 . 1 1 17 17 HIS CA C 17 57.080 57.080 56.039 1.041 25181 221 1 2 . 1 1 17 17 HIS H H 17 8.626 8.626 7.880 0.746 25181 222 1 2 . 1 1 18 18 GLY N N 18 109.241 109.241 109.252 -0.011 25181 223 1 2 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.678 -0.198 25181 224 1 2 . 1 1 18 18 GLY H H 18 8.542 8.542 7.527 1.015 25181 225 1 2 . 1 1 19 19 ILE N N 19 120.602 120.602 121.049 -0.447 25181 226 1 2 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.832 -0.272 25181 227 1 2 . 1 1 19 19 ILE H H 19 8.379 8.379 7.251 1.128 25181 228 1 2 . 1 1 20 20 LEU N N 20 120.271 120.271 119.117 1.154 25181 229 1 2 . 1 1 20 20 LEU CA C 20 58.100 58.100 56.621 1.479 25181 230 1 2 . 1 1 20 20 LEU H H 20 8.447 8.447 7.950 0.497 25181 231 1 2 . 1 1 21 21 SER N N 21 114.238 114.238 116.263 -2.025 25181 232 1 2 . 1 1 21 21 SER CA C 21 62.360 62.360 61.702 0.658 25181 233 1 2 . 1 1 21 21 SER H H 21 8.288 8.288 7.923 0.365 25181 234 1 2 . 1 1 22 22 PHE N N 22 120.907 120.907 120.541 0.366 25181 235 1 2 . 1 1 22 22 PHE CA C 22 61.670 61.670 60.839 0.831 25181 236 1 2 . 1 1 22 22 PHE H H 22 8.199 8.199 7.224 0.975 25181 237 1 2 . 1 1 23 23 LEU N N 23 118.536 118.536 120.326 -1.790 25181 238 1 2 . 1 1 23 23 LEU CA C 23 57.960 57.960 57.961 -0.001 25181 239 1 2 . 1 1 23 23 LEU H H 23 8.613 8.613 7.503 1.110 25181 240 1 2 . 1 1 24 24 VAL N N 24 120.897 120.897 118.319 2.578 25181 241 1 2 . 1 1 24 24 VAL CA C 24 66.990 66.990 65.329 1.661 25181 242 1 2 . 1 1 24 24 VAL H H 24 8.651 8.651 7.729 0.922 25181 243 1 2 . 1 1 25 25 PHE N N 25 119.495 119.495 121.420 -1.925 25181 244 1 2 . 1 1 25 25 PHE CA C 25 61.620 61.620 61.632 -0.012 25181 245 1 2 . 1 1 25 25 PHE H H 25 8.372 8.372 8.149 0.223 25181 246 1 2 . 1 1 26 26 PHE N N 26 117.500 117.500 119.305 -1.805 25181 247 1 2 . 1 1 26 26 PHE CA C 26 61.480 61.480 62.956 -1.476 25181 248 1 2 . 1 1 26 26 PHE H H 26 8.990 8.990 8.167 0.823 25181 249 1 2 . 1 1 27 27 SER N N 27 114.828 114.828 114.663 0.165 25181 250 1 2 . 1 1 27 27 SER CA C 27 62.680 62.680 62.250 0.430 25181 251 1 2 . 1 1 27 27 SER H H 27 8.332 8.332 8.574 -0.242 25181 252 1 2 . 1 1 28 28 ALA N N 28 123.714 123.714 122.509 1.205 25181 253 1 2 . 1 1 28 28 ALA CA C 28 54.860 54.860 53.939 0.921 25181 254 1 2 . 1 1 28 28 ALA H H 28 8.370 8.370 7.488 0.882 25181 255 1 2 . 1 1 29 29 ALA N N 29 119.273 119.273 122.637 -3.364 25181 256 1 2 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.588 -0.058 25181 257 1 2 . 1 1 29 29 ALA H H 29 8.309 8.309 7.932 0.377 25181 258 1 2 . 1 1 30 30 TRP N N 30 118.586 118.586 118.021 0.565 25181 259 1 2 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.546 -0.266 25181 260 1 2 . 1 1 30 30 TRP H H 30 8.493 8.493 8.172 0.321 25181 261 1 2 . 1 1 31 31 TYR N N 31 119.618 119.618 118.657 0.961 25181 262 1 2 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.586 -0.475 25181 263 1 2 . 1 1 31 31 TYR H H 31 8.448 8.448 8.307 0.141 25181 264 1 2 . 1 1 32 32 ILE N N 32 117.717 117.717 118.237 -0.520 25181 265 1 2 . 1 1 32 32 ILE CA C 32 64.120 64.120 64.051 0.069 25181 266 1 2 . 1 1 32 32 ILE H H 32 8.398 8.398 7.459 0.939 25181 267 1 2 . 1 1 33 33 LYS N N 33 119.439 119.439 119.091 0.348 25181 268 1 2 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.306 -0.016 25181 269 1 2 . 1 1 33 33 LYS H H 33 8.170 8.170 8.014 0.156 25181 270 1 2 . 1 1 34 34 GLY N N 34 105.462 105.462 107.803 -2.341 25181 271 1 2 . 1 1 34 34 GLY CA C 34 45.460 45.460 46.146 -0.686 25181 272 1 2 . 1 1 34 34 GLY H H 34 7.886 7.886 8.423 -0.537 25181 273 1 2 . 1 1 35 35 ARG N N 35 118.092 118.092 118.970 -0.878 25181 274 1 2 . 1 1 35 35 ARG CA C 35 55.460 55.460 56.329 -0.869 25181 275 1 2 . 1 1 35 35 ARG H H 35 7.702 7.702 8.161 -0.459 25181 276 1 2 . 1 1 36 36 LEU N N 36 119.012 119.012 119.452 -0.440 25181 277 1 2 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.190 0.210 25181 278 1 2 . 1 1 36 36 LEU H H 36 7.676 7.676 7.469 0.207 25181 279 1 2 . 1 1 37 37 ALA N N 37 124.067 124.067 130.013 -5.946 25181 280 1 2 . 1 1 37 37 ALA CA C 37 50.140 50.140 50.937 -0.797 25181 281 1 2 . 1 1 37 37 ALA H H 37 8.133 8.133 8.359 -0.226 25181 282 1 2 . 1 1 39 39 GLY N N 39 108.143 108.143 108.019 0.124 25181 283 1 2 . 1 1 39 39 GLY CA C 39 45.230 45.230 46.622 -1.392 25181 284 1 2 . 1 1 39 39 GLY H H 39 8.582 8.582 8.367 0.215 25181 285 1 2 . 1 1 40 40 ALA N N 40 123.368 123.368 127.158 -3.790 25181 286 1 2 . 1 1 40 40 ALA CA C 40 52.500 52.500 53.999 -1.499 25181 287 1 2 . 1 1 40 40 ALA H H 40 8.007 8.007 8.289 -0.282 25181 288 1 2 . 1 1 41 41 ALA N N 41 121.434 121.434 119.698 1.736 25181 289 1 2 . 1 1 41 41 ALA CA C 41 53.190 53.190 53.548 -0.358 25181 290 1 2 . 1 1 41 41 ALA H H 41 8.330 8.330 7.712 0.618 25181 291 1 2 . 1 1 42 42 TYR N N 42 116.666 116.666 119.264 -2.598 25181 292 1 2 . 1 1 42 42 TYR CA C 42 58.380 58.380 61.378 -2.998 25181 293 1 2 . 1 1 42 42 TYR H H 42 7.939 7.939 7.629 0.310 25181 294 1 2 . 1 1 43 43 ALA N N 43 122.521 122.521 121.126 1.395 25181 295 1 2 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.134 -0.984 25181 296 1 2 . 1 1 43 43 ALA H H 43 8.029 8.029 8.195 -0.166 25181 297 1 2 . 1 1 44 44 PHE N N 44 116.483 116.483 119.582 -3.099 25181 298 1 2 . 1 1 44 44 PHE CA C 44 58.790 58.790 61.161 -2.371 25181 299 1 2 . 1 1 44 44 PHE H H 44 8.071 8.071 7.971 0.100 25181 300 1 2 . 1 1 45 45 TYR N N 45 117.436 117.436 119.332 -1.896 25181 301 1 2 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.474 -1.404 25181 302 1 2 . 1 1 45 45 TYR H H 45 7.986 7.986 8.504 -0.518 25181 303 1 2 . 1 1 46 46 GLY N N 46 105.143 105.143 104.042 1.101 25181 304 1 2 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.841 -0.381 25181 305 1 2 . 1 1 46 46 GLY H H 46 8.072 8.072 8.216 -0.144 25181 306 1 2 . 1 1 47 47 VAL N N 47 114.672 114.672 115.097 -0.425 25181 307 1 2 . 1 1 47 47 VAL CA C 47 62.820 62.820 59.378 3.442 25181 308 1 2 . 1 1 47 47 VAL H H 47 7.914 7.914 7.490 0.424 25181 309 1 2 . 1 1 48 48 TRP N N 48 120.754 120.754 125.426 -4.672 25181 310 1 2 . 1 1 48 48 TRP CA C 48 61.900 61.900 62.774 -0.874 25181 311 1 2 . 1 1 48 48 TRP H H 48 8.047 8.047 7.927 0.120 25181 312 1 2 . 1 1 49 49 PRO CA C 49 65.830 65.830 65.029 0.801 25181 313 1 2 . 1 1 50 50 LEU N N 50 113.896 113.896 117.525 -3.629 25181 314 1 2 . 1 1 50 50 LEU CA C 50 57.680 57.680 55.511 2.169 25181 315 1 2 . 1 1 50 50 LEU H H 50 7.205 7.205 7.264 -0.059 25181 316 1 2 . 1 1 51 51 LEU N N 51 117.594 117.594 121.722 -4.128 25181 317 1 2 . 1 1 51 51 LEU CA C 51 57.620 57.620 57.498 0.121 25181 318 1 2 . 1 1 51 51 LEU H H 51 8.005 8.005 8.177 -0.172 25181 319 1 2 . 1 1 52 52 LEU N N 52 116.078 116.078 119.815 -3.737 25181 320 1 2 . 1 1 52 52 LEU CA C 52 57.580 57.580 56.185 1.395 25181 321 1 2 . 1 1 52 52 LEU H H 52 7.992 7.992 7.778 0.214 25181 322 1 2 . 1 1 53 53 LEU N N 53 117.006 117.006 120.671 -3.665 25181 323 1 2 . 1 1 53 53 LEU CA C 53 56.750 56.750 58.392 -1.642 25181 324 1 2 . 1 1 53 53 LEU H H 53 7.719 7.719 7.906 -0.187 25181 325 1 2 . 1 1 54 54 LEU N N 54 116.037 116.037 112.570 3.467 25181 326 1 2 . 1 1 54 54 LEU CA C 54 57.500 57.500 56.861 0.639 25181 327 1 2 . 1 1 54 54 LEU H H 54 7.957 7.957 7.499 0.458 25181 328 1 2 . 1 1 55 55 LEU N N 55 115.858 115.858 116.975 -1.117 25181 329 1 2 . 1 1 55 55 LEU CA C 55 56.020 56.020 55.253 0.767 25181 330 1 2 . 1 1 55 55 LEU H H 55 7.882 7.882 7.363 0.519 25181 331 1 2 . 1 1 56 56 ALA N N 56 119.026 119.026 119.603 -0.577 25181 332 1 2 . 1 1 56 56 ALA CA C 56 51.990 51.990 53.877 -1.887 25181 333 1 2 . 1 1 56 56 ALA H H 56 7.828 7.828 8.387 -0.559 25181 334 1 2 . 1 1 57 57 LEU N N 57 118.319 118.319 119.760 -1.441 25181 335 1 2 . 1 1 57 57 LEU CA C 57 53.330 53.330 51.082 2.248 25181 336 1 2 . 1 1 57 57 LEU H H 57 7.548 7.548 7.395 0.153 25181 337 1 2 . 1 1 59 59 PRO CA C 59 63.610 63.610 65.049 -1.438 25181 338 1 2 . 1 1 60 60 ARG N N 60 117.573 117.573 120.349 -2.776 25181 339 1 2 . 1 1 60 60 ARG CA C 60 56.110 56.110 56.713 -0.603 25181 340 1 2 . 1 1 60 60 ARG H H 60 8.170 8.170 8.323 -0.153 25181 341 1 2 . 1 1 61 61 ALA N N 61 122.434 122.434 119.455 2.979 25181 342 1 2 . 1 1 61 61 ALA CA C 61 52.450 52.450 51.874 0.576 25181 343 1 2 . 1 1 61 61 ALA H H 61 8.244 8.244 8.163 0.081 25181 344 1 2 . 1 1 62 62 TYR N N 62 116.252 116.252 113.083 3.169 25181 345 1 2 . 1 1 62 62 TYR CA C 62 56.760 56.760 56.634 0.126 25181 346 1 2 . 1 1 62 62 TYR H H 62 7.796 7.796 7.708 0.088 25181 347 1 3 . 1 1 2 2 LEU N N 2 121.238 121.238 124.687 -3.449 25181 348 1 3 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.920 0.820 25181 349 1 3 . 1 1 2 2 LEU H H 2 8.866 8.866 8.144 0.722 25181 350 1 3 . 1 1 3 3 GLU N N 3 119.669 119.669 123.113 -3.444 25181 351 1 3 . 1 1 3 3 GLU CA C 3 56.800 56.800 55.379 1.421 25181 352 1 3 . 1 1 3 3 GLU H H 3 8.812 8.812 8.193 0.619 25181 353 1 3 . 1 1 4 4 ASN N N 4 117.251 117.251 116.259 0.992 25181 354 1 3 . 1 1 4 4 ASN CA C 4 53.610 53.610 54.683 -1.073 25181 355 1 3 . 1 1 4 4 ASN H H 4 8.318 8.318 8.604 -0.286 25181 356 1 3 . 1 1 5 5 LEU N N 5 120.686 120.686 123.633 -2.947 25181 357 1 3 . 1 1 5 5 LEU CA C 5 55.880 55.880 56.328 -0.448 25181 358 1 3 . 1 1 5 5 LEU H H 5 8.104 8.104 8.460 -0.356 25181 359 1 3 . 1 1 6 6 VAL N N 6 118.674 118.674 120.010 -1.336 25181 360 1 3 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.580 -2.020 25181 361 1 3 . 1 1 6 6 VAL H H 6 7.955 7.955 7.671 0.284 25181 362 1 3 . 1 1 7 7 VAL N N 7 120.217 120.217 119.337 0.880 25181 363 1 3 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.190 -1.860 25181 364 1 3 . 1 1 7 7 VAL H H 7 7.929 7.929 7.488 0.441 25181 365 1 3 . 1 1 8 8 LEU N N 8 121.924 121.924 121.636 0.288 25181 366 1 3 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.587 -3.077 25181 367 1 3 . 1 1 8 8 LEU H H 8 8.060 8.060 8.153 -0.093 25181 368 1 3 . 1 1 9 9 ASN N N 9 118.024 118.024 116.943 1.081 25181 369 1 3 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.062 -2.502 25181 370 1 3 . 1 1 9 9 ASN H H 9 8.256 8.256 7.689 0.567 25181 371 1 3 . 1 1 10 10 ALA N N 10 123.164 123.164 122.442 0.722 25181 372 1 3 . 1 1 10 10 ALA CA C 10 53.330 53.330 55.185 -1.855 25181 373 1 3 . 1 1 10 10 ALA H H 10 8.372 8.372 8.042 0.330 25181 374 1 3 . 1 1 11 11 ALA N N 11 119.814 119.814 120.891 -1.077 25181 375 1 3 . 1 1 11 11 ALA CA C 11 53.420 53.420 55.208 -1.788 25181 376 1 3 . 1 1 11 11 ALA H H 11 8.272 8.272 8.732 -0.460 25181 377 1 3 . 1 1 12 12 SER N N 12 113.158 113.158 114.351 -1.193 25181 378 1 3 . 1 1 12 12 SER CA C 12 60.400 60.400 61.692 -1.292 25181 379 1 3 . 1 1 12 12 SER H H 12 8.090 8.090 7.545 0.545 25181 380 1 3 . 1 1 13 13 VAL N N 13 119.626 119.626 121.161 -1.535 25181 381 1 3 . 1 1 13 13 VAL CA C 13 63.380 63.380 65.235 -1.855 25181 382 1 3 . 1 1 13 13 VAL H H 13 7.946 7.946 8.164 -0.218 25181 383 1 3 . 1 1 14 14 ALA N N 14 123.520 123.520 119.917 3.603 25181 384 1 3 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.519 -1.369 25181 385 1 3 . 1 1 14 14 ALA H H 14 8.189 8.189 8.403 -0.214 25181 386 1 3 . 1 1 15 15 GLY N N 15 106.080 106.080 104.940 1.140 25181 387 1 3 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.263 -0.033 25181 388 1 3 . 1 1 15 15 GLY H H 15 8.290 8.290 7.888 0.402 25181 389 1 3 . 1 1 16 16 ALA N N 16 123.019 123.019 126.499 -3.480 25181 390 1 3 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.588 -1.308 25181 391 1 3 . 1 1 16 16 ALA H H 16 8.343 8.343 8.473 -0.130 25181 392 1 3 . 1 1 17 17 HIS N N 17 115.511 115.511 118.379 -2.868 25181 393 1 3 . 1 1 17 17 HIS CA C 17 57.080 57.080 56.138 0.942 25181 394 1 3 . 1 1 17 17 HIS H H 17 8.626 8.626 8.469 0.157 25181 395 1 3 . 1 1 18 18 GLY N N 18 109.241 109.241 107.500 1.741 25181 396 1 3 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.084 0.396 25181 397 1 3 . 1 1 18 18 GLY H H 18 8.542 8.542 7.891 0.651 25181 398 1 3 . 1 1 19 19 ILE N N 19 120.602 120.602 122.716 -2.114 25181 399 1 3 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.641 -0.081 25181 400 1 3 . 1 1 19 19 ILE H H 19 8.379 8.379 7.769 0.610 25181 401 1 3 . 1 1 20 20 LEU N N 20 120.271 120.271 119.387 0.884 25181 402 1 3 . 1 1 20 20 LEU CA C 20 58.100 58.100 57.633 0.467 25181 403 1 3 . 1 1 20 20 LEU H H 20 8.447 8.447 8.114 0.333 25181 404 1 3 . 1 1 21 21 SER N N 21 114.238 114.238 115.236 -0.998 25181 405 1 3 . 1 1 21 21 SER CA C 21 62.360 62.360 61.106 1.254 25181 406 1 3 . 1 1 21 21 SER H H 21 8.288 8.288 8.328 -0.040 25181 407 1 3 . 1 1 22 22 PHE N N 22 120.907 120.907 121.891 -0.984 25181 408 1 3 . 1 1 22 22 PHE CA C 22 61.670 61.670 60.968 0.702 25181 409 1 3 . 1 1 22 22 PHE H H 22 8.199 8.199 7.768 0.431 25181 410 1 3 . 1 1 23 23 LEU N N 23 118.536 118.536 122.162 -3.626 25181 411 1 3 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.741 -0.781 25181 412 1 3 . 1 1 23 23 LEU H H 23 8.613 8.613 8.008 0.605 25181 413 1 3 . 1 1 24 24 VAL N N 24 120.897 120.897 116.472 4.425 25181 414 1 3 . 1 1 24 24 VAL CA C 24 66.990 66.990 65.953 1.037 25181 415 1 3 . 1 1 24 24 VAL H H 24 8.651 8.651 7.645 1.006 25181 416 1 3 . 1 1 25 25 PHE N N 25 119.495 119.495 120.997 -1.502 25181 417 1 3 . 1 1 25 25 PHE CA C 25 61.620 61.620 62.626 -1.006 25181 418 1 3 . 1 1 25 25 PHE H H 25 8.372 8.372 7.584 0.788 25181 419 1 3 . 1 1 26 26 PHE N N 26 117.500 117.500 118.503 -1.003 25181 420 1 3 . 1 1 26 26 PHE CA C 26 61.480 61.480 62.637 -1.157 25181 421 1 3 . 1 1 26 26 PHE H H 26 8.990 8.990 9.127 -0.137 25181 422 1 3 . 1 1 27 27 SER N N 27 114.828 114.828 116.321 -1.493 25181 423 1 3 . 1 1 27 27 SER CA C 27 62.680 62.680 62.473 0.207 25181 424 1 3 . 1 1 27 27 SER H H 27 8.332 8.332 8.434 -0.102 25181 425 1 3 . 1 1 28 28 ALA N N 28 123.714 123.714 122.880 0.834 25181 426 1 3 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.501 0.359 25181 427 1 3 . 1 1 28 28 ALA H H 28 8.370 8.370 7.749 0.621 25181 428 1 3 . 1 1 29 29 ALA N N 29 119.273 119.273 121.502 -2.229 25181 429 1 3 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.510 0.020 25181 430 1 3 . 1 1 29 29 ALA H H 29 8.309 8.309 7.962 0.347 25181 431 1 3 . 1 1 30 30 TRP N N 30 118.586 118.586 118.470 0.116 25181 432 1 3 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.461 -0.181 25181 433 1 3 . 1 1 30 30 TRP H H 30 8.493 8.493 8.755 -0.262 25181 434 1 3 . 1 1 31 31 TYR N N 31 119.618 119.618 117.891 1.727 25181 435 1 3 . 1 1 31 31 TYR CA C 31 61.110 61.110 60.493 0.617 25181 436 1 3 . 1 1 31 31 TYR H H 31 8.448 8.448 7.420 1.028 25181 437 1 3 . 1 1 32 32 ILE N N 32 117.717 117.717 119.535 -1.818 25181 438 1 3 . 1 1 32 32 ILE CA C 32 64.120 64.120 64.328 -0.208 25181 439 1 3 . 1 1 32 32 ILE H H 32 8.398 8.398 8.340 0.058 25181 440 1 3 . 1 1 33 33 LYS N N 33 119.439 119.439 117.775 1.664 25181 441 1 3 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.735 0.555 25181 442 1 3 . 1 1 33 33 LYS H H 33 8.170 8.170 7.975 0.195 25181 443 1 3 . 1 1 34 34 GLY N N 34 105.462 105.462 107.295 -1.833 25181 444 1 3 . 1 1 34 34 GLY CA C 34 45.460 45.460 44.979 0.481 25181 445 1 3 . 1 1 34 34 GLY H H 34 7.886 7.886 8.115 -0.229 25181 446 1 3 . 1 1 35 35 ARG N N 35 118.092 118.092 121.615 -3.523 25181 447 1 3 . 1 1 35 35 ARG CA C 35 55.460 55.460 57.222 -1.762 25181 448 1 3 . 1 1 35 35 ARG H H 35 7.702 7.702 8.511 -0.809 25181 449 1 3 . 1 1 36 36 LEU N N 36 119.012 119.012 120.391 -1.379 25181 450 1 3 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.255 0.145 25181 451 1 3 . 1 1 36 36 LEU H H 36 7.676 7.676 8.050 -0.374 25181 452 1 3 . 1 1 37 37 ALA N N 37 124.067 124.067 122.615 1.452 25181 453 1 3 . 1 1 37 37 ALA CA C 37 50.140 50.140 51.414 -1.274 25181 454 1 3 . 1 1 37 37 ALA H H 37 8.133 8.133 7.284 0.849 25181 455 1 3 . 1 1 39 39 GLY N N 39 108.143 108.143 109.333 -1.190 25181 456 1 3 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.244 -0.014 25181 457 1 3 . 1 1 39 39 GLY H H 39 8.582 8.582 8.579 0.003 25181 458 1 3 . 1 1 40 40 ALA N N 40 123.368 123.368 124.704 -1.336 25181 459 1 3 . 1 1 40 40 ALA CA C 40 52.500 52.500 52.773 -0.273 25181 460 1 3 . 1 1 40 40 ALA H H 40 8.007 8.007 8.552 -0.545 25181 461 1 3 . 1 1 41 41 ALA N N 41 121.434 121.434 122.855 -1.421 25181 462 1 3 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.045 -0.856 25181 463 1 3 . 1 1 41 41 ALA H H 41 8.330 8.330 7.844 0.486 25181 464 1 3 . 1 1 42 42 TYR N N 42 116.666 116.666 119.473 -2.807 25181 465 1 3 . 1 1 42 42 TYR CA C 42 58.380 58.380 59.941 -1.561 25181 466 1 3 . 1 1 42 42 TYR H H 42 7.939 7.939 8.253 -0.314 25181 467 1 3 . 1 1 43 43 ALA N N 43 122.521 122.521 122.435 0.086 25181 468 1 3 . 1 1 43 43 ALA CA C 43 53.150 53.150 53.853 -0.703 25181 469 1 3 . 1 1 43 43 ALA H H 43 8.029 8.029 7.361 0.668 25181 470 1 3 . 1 1 44 44 PHE N N 44 116.483 116.483 119.209 -2.726 25181 471 1 3 . 1 1 44 44 PHE CA C 44 58.790 58.790 60.568 -1.778 25181 472 1 3 . 1 1 44 44 PHE H H 44 8.071 8.071 7.862 0.209 25181 473 1 3 . 1 1 45 45 TYR N N 45 117.436 117.436 118.287 -0.851 25181 474 1 3 . 1 1 45 45 TYR CA C 45 59.070 59.070 59.441 -0.371 25181 475 1 3 . 1 1 45 45 TYR H H 45 7.986 7.986 8.071 -0.085 25181 476 1 3 . 1 1 46 46 GLY N N 46 105.143 105.143 104.336 0.807 25181 477 1 3 . 1 1 46 46 GLY CA C 46 45.460 45.460 44.496 0.964 25181 478 1 3 . 1 1 46 46 GLY H H 46 8.072 8.072 7.169 0.903 25181 479 1 3 . 1 1 47 47 VAL N N 47 114.672 114.672 120.243 -5.571 25181 480 1 3 . 1 1 47 47 VAL CA C 47 62.820 62.820 59.120 3.700 25181 481 1 3 . 1 1 47 47 VAL H H 47 7.914 7.914 6.654 1.260 25181 482 1 3 . 1 1 48 48 TRP N N 48 120.754 120.754 125.964 -5.210 25181 483 1 3 . 1 1 48 48 TRP CA C 48 61.900 61.900 58.513 3.387 25181 484 1 3 . 1 1 48 48 TRP H H 48 8.047 8.047 7.233 0.814 25181 485 1 3 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.962 0.868 25181 486 1 3 . 1 1 50 50 LEU N N 50 113.896 113.896 119.759 -5.863 25181 487 1 3 . 1 1 50 50 LEU CA C 50 57.680 57.680 57.176 0.504 25181 488 1 3 . 1 1 50 50 LEU H H 50 7.205 7.205 7.887 -0.682 25181 489 1 3 . 1 1 51 51 LEU N N 51 117.594 117.594 119.401 -1.807 25181 490 1 3 . 1 1 51 51 LEU CA C 51 57.620 57.620 57.725 -0.105 25181 491 1 3 . 1 1 51 51 LEU H H 51 8.005 8.005 7.709 0.296 25181 492 1 3 . 1 1 52 52 LEU N N 52 116.078 116.078 118.513 -2.435 25181 493 1 3 . 1 1 52 52 LEU CA C 52 57.580 57.580 57.805 -0.225 25181 494 1 3 . 1 1 52 52 LEU H H 52 7.992 7.992 7.681 0.311 25181 495 1 3 . 1 1 53 53 LEU N N 53 117.006 117.006 119.282 -2.276 25181 496 1 3 . 1 1 53 53 LEU CA C 53 56.750 56.750 58.025 -1.275 25181 497 1 3 . 1 1 53 53 LEU H H 53 7.719 7.719 7.262 0.457 25181 498 1 3 . 1 1 54 54 LEU N N 54 116.037 116.037 119.364 -3.327 25181 499 1 3 . 1 1 54 54 LEU CA C 54 57.500 57.500 57.439 0.061 25181 500 1 3 . 1 1 54 54 LEU H H 54 7.957 7.957 7.475 0.482 25181 501 1 3 . 1 1 55 55 LEU N N 55 115.858 115.858 118.133 -2.275 25181 502 1 3 . 1 1 55 55 LEU CA C 55 56.020 56.020 57.040 -1.020 25181 503 1 3 . 1 1 55 55 LEU H H 55 7.882 7.882 7.814 0.068 25181 504 1 3 . 1 1 56 56 ALA N N 56 119.026 119.026 120.594 -1.568 25181 505 1 3 . 1 1 56 56 ALA CA C 56 51.990 51.990 54.372 -2.382 25181 506 1 3 . 1 1 56 56 ALA H H 56 7.828 7.828 7.963 -0.135 25181 507 1 3 . 1 1 57 57 LEU N N 57 118.319 118.319 111.417 6.902 25181 508 1 3 . 1 1 57 57 LEU CA C 57 53.330 53.330 51.694 1.636 25181 509 1 3 . 1 1 57 57 LEU H H 57 7.548 7.548 7.289 0.259 25181 510 1 3 . 1 1 59 59 PRO CA C 59 63.610 63.610 64.385 -0.775 25181 511 1 3 . 1 1 60 60 ARG N N 60 117.573 117.573 114.500 3.073 25181 512 1 3 . 1 1 60 60 ARG CA C 60 56.110 56.110 57.857 -1.747 25181 513 1 3 . 1 1 60 60 ARG H H 60 8.170 8.170 8.106 0.064 25181 514 1 3 . 1 1 61 61 ALA N N 61 122.434 122.434 123.236 -0.802 25181 515 1 3 . 1 1 61 61 ALA CA C 61 52.450 52.450 52.892 -0.442 25181 516 1 3 . 1 1 61 61 ALA H H 61 8.244 8.244 8.100 0.144 25181 517 1 3 . 1 1 62 62 TYR N N 62 116.252 116.252 122.591 -6.339 25181 518 1 3 . 1 1 62 62 TYR CA C 62 56.760 56.760 57.558 -0.798 25181 519 1 3 . 1 1 62 62 TYR H H 62 7.796 7.796 8.548 -0.752 25181 520 1 4 . 1 1 2 2 LEU N N 2 121.238 121.238 121.074 0.164 25181 521 1 4 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.158 1.581 25181 522 1 4 . 1 1 2 2 LEU H H 2 8.866 8.866 7.950 0.916 25181 523 1 4 . 1 1 3 3 GLU N N 3 119.669 119.669 122.024 -2.355 25181 524 1 4 . 1 1 3 3 GLU CA C 3 56.800 56.800 55.166 1.634 25181 525 1 4 . 1 1 3 3 GLU H H 3 8.812 8.812 7.762 1.050 25181 526 1 4 . 1 1 4 4 ASN N N 4 117.251 117.251 115.248 2.003 25181 527 1 4 . 1 1 4 4 ASN CA C 4 53.610 53.610 55.651 -2.041 25181 528 1 4 . 1 1 4 4 ASN H H 4 8.318 8.318 8.741 -0.423 25181 529 1 4 . 1 1 5 5 LEU N N 5 120.686 120.686 117.634 3.052 25181 530 1 4 . 1 1 5 5 LEU CA C 5 55.880 55.880 58.051 -2.171 25181 531 1 4 . 1 1 5 5 LEU H H 5 8.104 8.104 8.295 -0.191 25181 532 1 4 . 1 1 6 6 VAL N N 6 118.674 118.674 116.383 2.291 25181 533 1 4 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.767 -2.207 25181 534 1 4 . 1 1 6 6 VAL H H 6 7.955 7.955 7.756 0.199 25181 535 1 4 . 1 1 7 7 VAL N N 7 120.217 120.217 116.554 3.663 25181 536 1 4 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.291 -1.961 25181 537 1 4 . 1 1 7 7 VAL H H 7 7.929 7.929 7.566 0.363 25181 538 1 4 . 1 1 8 8 LEU N N 8 121.924 121.924 117.881 4.043 25181 539 1 4 . 1 1 8 8 LEU CA C 8 55.510 55.510 56.677 -1.167 25181 540 1 4 . 1 1 8 8 LEU H H 8 8.060 8.060 7.469 0.591 25181 541 1 4 . 1 1 9 9 ASN N N 9 118.024 118.024 118.159 -0.135 25181 542 1 4 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.469 -2.909 25181 543 1 4 . 1 1 9 9 ASN H H 9 8.256 8.256 8.671 -0.415 25181 544 1 4 . 1 1 10 10 ALA N N 10 123.164 123.164 122.861 0.303 25181 545 1 4 . 1 1 10 10 ALA CA C 10 53.330 53.330 55.084 -1.754 25181 546 1 4 . 1 1 10 10 ALA H H 10 8.372 8.372 8.183 0.189 25181 547 1 4 . 1 1 11 11 ALA N N 11 119.814 119.814 120.776 -0.962 25181 548 1 4 . 1 1 11 11 ALA CA C 11 53.420 53.420 55.071 -1.651 25181 549 1 4 . 1 1 11 11 ALA H H 11 8.272 8.272 7.954 0.318 25181 550 1 4 . 1 1 12 12 SER N N 12 113.158 113.158 113.049 0.109 25181 551 1 4 . 1 1 12 12 SER CA C 12 60.400 60.400 61.280 -0.880 25181 552 1 4 . 1 1 12 12 SER H H 12 8.090 8.090 7.715 0.375 25181 553 1 4 . 1 1 13 13 VAL N N 13 119.626 119.626 120.572 -0.946 25181 554 1 4 . 1 1 13 13 VAL CA C 13 63.380 63.380 65.187 -1.807 25181 555 1 4 . 1 1 13 13 VAL H H 13 7.946 7.946 7.964 -0.018 25181 556 1 4 . 1 1 14 14 ALA N N 14 123.520 123.520 119.762 3.758 25181 557 1 4 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.346 -1.196 25181 558 1 4 . 1 1 14 14 ALA H H 14 8.189 8.189 8.587 -0.398 25181 559 1 4 . 1 1 15 15 GLY N N 15 106.080 106.080 105.301 0.779 25181 560 1 4 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.767 -0.536 25181 561 1 4 . 1 1 15 15 GLY H H 15 8.290 8.290 8.202 0.088 25181 562 1 4 . 1 1 16 16 ALA N N 16 123.019 123.019 124.998 -1.979 25181 563 1 4 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.258 -0.978 25181 564 1 4 . 1 1 16 16 ALA H H 16 8.343 8.343 8.283 0.060 25181 565 1 4 . 1 1 17 17 HIS N N 17 115.511 115.511 118.055 -2.544 25181 566 1 4 . 1 1 17 17 HIS CA C 17 57.080 57.080 58.399 -1.319 25181 567 1 4 . 1 1 17 17 HIS H H 17 8.626 8.626 8.590 0.036 25181 568 1 4 . 1 1 18 18 GLY N N 18 109.241 109.241 108.422 0.819 25181 569 1 4 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.852 -0.372 25181 570 1 4 . 1 1 18 18 GLY H H 18 8.542 8.542 7.544 0.998 25181 571 1 4 . 1 1 19 19 ILE N N 19 120.602 120.602 119.823 0.779 25181 572 1 4 . 1 1 19 19 ILE CA C 19 63.560 63.560 64.294 -0.734 25181 573 1 4 . 1 1 19 19 ILE H H 19 8.379 8.379 7.659 0.720 25181 574 1 4 . 1 1 20 20 LEU N N 20 120.271 120.271 120.095 0.176 25181 575 1 4 . 1 1 20 20 LEU CA C 20 58.100 58.100 57.721 0.379 25181 576 1 4 . 1 1 20 20 LEU H H 20 8.447 8.447 7.723 0.724 25181 577 1 4 . 1 1 21 21 SER N N 21 114.238 114.238 115.432 -1.194 25181 578 1 4 . 1 1 21 21 SER CA C 21 62.360 62.360 61.696 0.664 25181 579 1 4 . 1 1 21 21 SER H H 21 8.288 8.288 7.813 0.475 25181 580 1 4 . 1 1 22 22 PHE N N 22 120.907 120.907 120.835 0.072 25181 581 1 4 . 1 1 22 22 PHE CA C 22 61.670 61.670 60.540 1.130 25181 582 1 4 . 1 1 22 22 PHE H H 22 8.199 8.199 8.346 -0.147 25181 583 1 4 . 1 1 23 23 LEU N N 23 118.536 118.536 121.333 -2.797 25181 584 1 4 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.620 -0.660 25181 585 1 4 . 1 1 23 23 LEU H H 23 8.613 8.613 8.157 0.456 25181 586 1 4 . 1 1 24 24 VAL N N 24 120.897 120.897 117.252 3.645 25181 587 1 4 . 1 1 24 24 VAL CA C 24 66.990 66.990 66.135 0.855 25181 588 1 4 . 1 1 24 24 VAL H H 24 8.651 8.651 7.533 1.118 25181 589 1 4 . 1 1 25 25 PHE N N 25 119.495 119.495 121.552 -2.057 25181 590 1 4 . 1 1 25 25 PHE CA C 25 61.620 61.620 61.593 0.027 25181 591 1 4 . 1 1 25 25 PHE H H 25 8.372 8.372 7.498 0.874 25181 592 1 4 . 1 1 26 26 PHE N N 26 117.500 117.500 117.560 -0.060 25181 593 1 4 . 1 1 26 26 PHE CA C 26 61.480 61.480 61.051 0.429 25181 594 1 4 . 1 1 26 26 PHE H H 26 8.990 8.990 8.863 0.127 25181 595 1 4 . 1 1 27 27 SER N N 27 114.828 114.828 115.072 -0.244 25181 596 1 4 . 1 1 27 27 SER CA C 27 62.680 62.680 61.959 0.721 25181 597 1 4 . 1 1 27 27 SER H H 27 8.332 8.332 7.683 0.649 25181 598 1 4 . 1 1 28 28 ALA N N 28 123.714 123.714 122.957 0.757 25181 599 1 4 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.147 0.713 25181 600 1 4 . 1 1 28 28 ALA H H 28 8.370 8.370 7.416 0.954 25181 601 1 4 . 1 1 29 29 ALA N N 29 119.273 119.273 121.568 -2.295 25181 602 1 4 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.644 -0.114 25181 603 1 4 . 1 1 29 29 ALA H H 29 8.309 8.309 7.061 1.248 25181 604 1 4 . 1 1 30 30 TRP N N 30 118.586 118.586 118.377 0.209 25181 605 1 4 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.157 0.123 25181 606 1 4 . 1 1 30 30 TRP H H 30 8.493 8.493 8.558 -0.065 25181 607 1 4 . 1 1 31 31 TYR N N 31 119.618 119.618 118.760 0.858 25181 608 1 4 . 1 1 31 31 TYR CA C 31 61.110 61.110 60.203 0.907 25181 609 1 4 . 1 1 31 31 TYR H H 31 8.448 8.448 7.367 1.081 25181 610 1 4 . 1 1 32 32 ILE N N 32 117.717 117.717 119.424 -1.707 25181 611 1 4 . 1 1 32 32 ILE CA C 32 64.120 64.120 63.977 0.143 25181 612 1 4 . 1 1 32 32 ILE H H 32 8.398 8.398 8.441 -0.043 25181 613 1 4 . 1 1 33 33 LYS N N 33 119.439 119.439 119.702 -0.263 25181 614 1 4 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.083 1.207 25181 615 1 4 . 1 1 33 33 LYS H H 33 8.170 8.170 8.093 0.077 25181 616 1 4 . 1 1 34 34 GLY N N 34 105.462 105.462 106.081 -0.619 25181 617 1 4 . 1 1 34 34 GLY CA C 34 45.460 45.460 44.463 0.997 25181 618 1 4 . 1 1 34 34 GLY H H 34 7.886 7.886 7.770 0.116 25181 619 1 4 . 1 1 35 35 ARG N N 35 118.092 118.092 121.042 -2.950 25181 620 1 4 . 1 1 35 35 ARG CA C 35 55.460 55.460 55.528 -0.068 25181 621 1 4 . 1 1 35 35 ARG H H 35 7.702 7.702 8.201 -0.499 25181 622 1 4 . 1 1 36 36 LEU N N 36 119.012 119.012 122.500 -3.488 25181 623 1 4 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.612 -0.212 25181 624 1 4 . 1 1 36 36 LEU H H 36 7.676 7.676 8.024 -0.348 25181 625 1 4 . 1 1 37 37 ALA N N 37 124.067 124.067 126.650 -2.583 25181 626 1 4 . 1 1 37 37 ALA CA C 37 50.140 50.140 50.613 -0.473 25181 627 1 4 . 1 1 37 37 ALA H H 37 8.133 8.133 8.093 0.040 25181 628 1 4 . 1 1 39 39 GLY N N 39 108.143 108.143 111.793 -3.650 25181 629 1 4 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.069 0.161 25181 630 1 4 . 1 1 39 39 GLY H H 39 8.582 8.582 7.550 1.032 25181 631 1 4 . 1 1 40 40 ALA N N 40 123.368 123.368 125.742 -2.374 25181 632 1 4 . 1 1 40 40 ALA CA C 40 52.500 52.500 54.698 -2.198 25181 633 1 4 . 1 1 40 40 ALA H H 40 8.007 8.007 7.932 0.075 25181 634 1 4 . 1 1 41 41 ALA N N 41 121.434 121.434 119.797 1.637 25181 635 1 4 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.411 -1.221 25181 636 1 4 . 1 1 41 41 ALA H H 41 8.330 8.330 7.989 0.341 25181 637 1 4 . 1 1 42 42 TYR N N 42 116.666 116.666 118.959 -2.293 25181 638 1 4 . 1 1 42 42 TYR CA C 42 58.380 58.380 60.696 -2.316 25181 639 1 4 . 1 1 42 42 TYR H H 42 7.939 7.939 8.154 -0.215 25181 640 1 4 . 1 1 43 43 ALA N N 43 122.521 122.521 121.141 1.380 25181 641 1 4 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.863 -1.713 25181 642 1 4 . 1 1 43 43 ALA H H 43 8.029 8.029 7.731 0.298 25181 643 1 4 . 1 1 44 44 PHE N N 44 116.483 116.483 118.095 -1.612 25181 644 1 4 . 1 1 44 44 PHE CA C 44 58.790 58.790 61.853 -3.063 25181 645 1 4 . 1 1 44 44 PHE H H 44 8.071 8.071 8.048 0.023 25181 646 1 4 . 1 1 45 45 TYR N N 45 117.436 117.436 117.786 -0.350 25181 647 1 4 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.557 -1.487 25181 648 1 4 . 1 1 45 45 TYR H H 45 7.986 7.986 8.275 -0.289 25181 649 1 4 . 1 1 46 46 GLY N N 46 105.143 105.143 107.160 -2.017 25181 650 1 4 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.809 -1.349 25181 651 1 4 . 1 1 46 46 GLY H H 46 8.072 8.072 7.999 0.073 25181 652 1 4 . 1 1 47 47 VAL N N 47 114.672 114.672 113.807 0.865 25181 653 1 4 . 1 1 47 47 VAL CA C 47 62.820 62.820 60.534 2.286 25181 654 1 4 . 1 1 47 47 VAL H H 47 7.914 7.914 7.685 0.229 25181 655 1 4 . 1 1 48 48 TRP N N 48 120.754 120.754 127.540 -6.786 25181 656 1 4 . 1 1 48 48 TRP CA C 48 61.900 61.900 62.170 -0.270 25181 657 1 4 . 1 1 48 48 TRP H H 48 8.047 8.047 9.066 -1.019 25181 658 1 4 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.971 0.860 25181 659 1 4 . 1 1 50 50 LEU N N 50 113.896 113.896 118.460 -4.564 25181 660 1 4 . 1 1 50 50 LEU CA C 50 57.680 57.680 56.962 0.717 25181 661 1 4 . 1 1 50 50 LEU H H 50 7.205 7.205 7.183 0.022 25181 662 1 4 . 1 1 51 51 LEU N N 51 117.594 117.594 117.501 0.093 25181 663 1 4 . 1 1 51 51 LEU CA C 51 57.620 57.620 55.775 1.845 25181 664 1 4 . 1 1 51 51 LEU H H 51 8.005 8.005 8.040 -0.035 25181 665 1 4 . 1 1 52 52 LEU N N 52 116.078 116.078 120.818 -4.740 25181 666 1 4 . 1 1 52 52 LEU CA C 52 57.580 57.580 56.859 0.721 25181 667 1 4 . 1 1 52 52 LEU H H 52 7.992 7.992 7.114 0.878 25181 668 1 4 . 1 1 53 53 LEU N N 53 117.006 117.006 119.554 -2.548 25181 669 1 4 . 1 1 53 53 LEU CA C 53 56.750 56.750 57.763 -1.013 25181 670 1 4 . 1 1 53 53 LEU H H 53 7.719 7.719 7.406 0.313 25181 671 1 4 . 1 1 54 54 LEU N N 54 116.037 116.037 119.817 -3.780 25181 672 1 4 . 1 1 54 54 LEU CA C 54 57.500 57.500 58.046 -0.546 25181 673 1 4 . 1 1 54 54 LEU H H 54 7.957 7.957 7.736 0.221 25181 674 1 4 . 1 1 55 55 LEU N N 55 115.858 115.858 117.579 -1.721 25181 675 1 4 . 1 1 55 55 LEU CA C 55 56.020 56.020 57.285 -1.266 25181 676 1 4 . 1 1 55 55 LEU H H 55 7.882 7.882 7.383 0.499 25181 677 1 4 . 1 1 56 56 ALA N N 56 119.026 119.026 118.844 0.182 25181 678 1 4 . 1 1 56 56 ALA CA C 56 51.990 51.990 52.986 -0.996 25181 679 1 4 . 1 1 56 56 ALA H H 56 7.828 7.828 7.314 0.514 25181 680 1 4 . 1 1 57 57 LEU N N 57 118.319 118.319 119.968 -1.649 25181 681 1 4 . 1 1 57 57 LEU CA C 57 53.330 53.330 52.197 1.133 25181 682 1 4 . 1 1 57 57 LEU H H 57 7.548 7.548 7.401 0.147 25181 683 1 4 . 1 1 59 59 PRO CA C 59 63.610 63.610 64.925 -1.315 25181 684 1 4 . 1 1 60 60 ARG N N 60 117.573 117.573 118.031 -0.458 25181 685 1 4 . 1 1 60 60 ARG CA C 60 56.110 56.110 56.873 -0.763 25181 686 1 4 . 1 1 60 60 ARG H H 60 8.170 8.170 7.902 0.268 25181 687 1 4 . 1 1 61 61 ALA N N 61 122.434 122.434 120.773 1.661 25181 688 1 4 . 1 1 61 61 ALA CA C 61 52.450 52.450 51.966 0.484 25181 689 1 4 . 1 1 61 61 ALA H H 61 8.244 8.244 7.643 0.601 25181 690 1 4 . 1 1 62 62 TYR N N 62 116.252 116.252 117.926 -1.674 25181 691 1 4 . 1 1 62 62 TYR CA C 62 56.760 56.760 58.338 -1.578 25181 692 1 4 . 1 1 62 62 TYR H H 62 7.796 7.796 8.250 -0.454 25181 693 1 5 . 1 1 2 2 LEU N N 2 121.238 121.238 121.634 -0.396 25181 694 1 5 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.366 1.374 25181 695 1 5 . 1 1 2 2 LEU H H 2 8.866 8.866 7.936 0.930 25181 696 1 5 . 1 1 3 3 GLU N N 3 119.669 119.669 120.119 -0.450 25181 697 1 5 . 1 1 3 3 GLU CA C 3 56.800 56.800 57.335 -0.535 25181 698 1 5 . 1 1 3 3 GLU H H 3 8.812 8.812 8.220 0.592 25181 699 1 5 . 1 1 4 4 ASN N N 4 117.251 117.251 122.871 -5.620 25181 700 1 5 . 1 1 4 4 ASN CA C 4 53.610 53.610 53.222 0.388 25181 701 1 5 . 1 1 4 4 ASN H H 4 8.318 8.318 8.624 -0.306 25181 702 1 5 . 1 1 5 5 LEU N N 5 120.686 120.686 120.341 0.345 25181 703 1 5 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.175 -1.296 25181 704 1 5 . 1 1 5 5 LEU H H 5 8.104 8.104 7.537 0.567 25181 705 1 5 . 1 1 6 6 VAL N N 6 118.674 118.674 119.473 -0.799 25181 706 1 5 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.560 -2.000 25181 707 1 5 . 1 1 6 6 VAL H H 6 7.955 7.955 7.987 -0.032 25181 708 1 5 . 1 1 7 7 VAL N N 7 120.217 120.217 119.428 0.789 25181 709 1 5 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.785 -2.455 25181 710 1 5 . 1 1 7 7 VAL H H 7 7.929 7.929 8.030 -0.101 25181 711 1 5 . 1 1 8 8 LEU N N 8 121.924 121.924 119.048 2.876 25181 712 1 5 . 1 1 8 8 LEU CA C 8 55.510 55.510 57.488 -1.978 25181 713 1 5 . 1 1 8 8 LEU H H 8 8.060 8.060 7.797 0.263 25181 714 1 5 . 1 1 9 9 ASN N N 9 118.024 118.024 117.358 0.666 25181 715 1 5 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.661 -3.101 25181 716 1 5 . 1 1 9 9 ASN H H 9 8.256 8.256 8.332 -0.076 25181 717 1 5 . 1 1 10 10 ALA N N 10 123.164 123.164 121.565 1.599 25181 718 1 5 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.507 -1.177 25181 719 1 5 . 1 1 10 10 ALA H H 10 8.372 8.372 8.136 0.236 25181 720 1 5 . 1 1 11 11 ALA N N 11 119.814 119.814 119.821 -0.007 25181 721 1 5 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.284 -0.864 25181 722 1 5 . 1 1 11 11 ALA H H 11 8.272 8.272 8.224 0.048 25181 723 1 5 . 1 1 12 12 SER N N 12 113.158 113.158 114.249 -1.091 25181 724 1 5 . 1 1 12 12 SER CA C 12 60.400 60.400 61.843 -1.443 25181 725 1 5 . 1 1 12 12 SER H H 12 8.090 8.090 7.609 0.481 25181 726 1 5 . 1 1 13 13 VAL N N 13 119.626 119.626 120.044 -0.418 25181 727 1 5 . 1 1 13 13 VAL CA C 13 63.380 63.380 62.720 0.660 25181 728 1 5 . 1 1 13 13 VAL H H 13 7.946 7.946 7.488 0.458 25181 729 1 5 . 1 1 14 14 ALA N N 14 123.520 123.520 123.127 0.393 25181 730 1 5 . 1 1 14 14 ALA CA C 14 53.150 53.150 53.311 -0.161 25181 731 1 5 . 1 1 14 14 ALA H H 14 8.189 8.189 7.829 0.360 25181 732 1 5 . 1 1 15 15 GLY N N 15 106.080 106.080 106.570 -0.490 25181 733 1 5 . 1 1 15 15 GLY CA C 15 45.230 45.230 44.523 0.707 25181 734 1 5 . 1 1 15 15 GLY H H 15 8.290 8.290 8.013 0.277 25181 735 1 5 . 1 1 16 16 ALA N N 16 123.019 123.019 120.983 2.036 25181 736 1 5 . 1 1 16 16 ALA CA C 16 53.280 53.280 53.325 -0.045 25181 737 1 5 . 1 1 16 16 ALA H H 16 8.343 8.343 8.397 -0.054 25181 738 1 5 . 1 1 17 17 HIS N N 17 115.511 115.511 120.044 -4.533 25181 739 1 5 . 1 1 17 17 HIS CA C 17 57.080 57.080 58.429 -1.349 25181 740 1 5 . 1 1 17 17 HIS H H 17 8.626 8.626 8.251 0.375 25181 741 1 5 . 1 1 18 18 GLY N N 18 109.241 109.241 107.293 1.948 25181 742 1 5 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.272 0.208 25181 743 1 5 . 1 1 18 18 GLY H H 18 8.542 8.542 7.875 0.667 25181 744 1 5 . 1 1 19 19 ILE N N 19 120.602 120.602 122.833 -2.231 25181 745 1 5 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.965 -0.405 25181 746 1 5 . 1 1 19 19 ILE H H 19 8.379 8.379 8.069 0.310 25181 747 1 5 . 1 1 20 20 LEU N N 20 120.271 120.271 119.256 1.015 25181 748 1 5 . 1 1 20 20 LEU CA C 20 58.100 58.100 58.269 -0.169 25181 749 1 5 . 1 1 20 20 LEU H H 20 8.447 8.447 8.021 0.426 25181 750 1 5 . 1 1 21 21 SER N N 21 114.238 114.238 115.694 -1.456 25181 751 1 5 . 1 1 21 21 SER CA C 21 62.360 62.360 62.201 0.159 25181 752 1 5 . 1 1 21 21 SER H H 21 8.288 8.288 7.709 0.579 25181 753 1 5 . 1 1 22 22 PHE N N 22 120.907 120.907 120.973 -0.066 25181 754 1 5 . 1 1 22 22 PHE CA C 22 61.670 61.670 62.030 -0.360 25181 755 1 5 . 1 1 22 22 PHE H H 22 8.199 8.199 7.863 0.336 25181 756 1 5 . 1 1 23 23 LEU N N 23 118.536 118.536 120.780 -2.244 25181 757 1 5 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.577 -0.617 25181 758 1 5 . 1 1 23 23 LEU H H 23 8.613 8.613 7.995 0.618 25181 759 1 5 . 1 1 24 24 VAL N N 24 120.897 120.897 118.988 1.909 25181 760 1 5 . 1 1 24 24 VAL CA C 24 66.990 66.990 66.538 0.452 25181 761 1 5 . 1 1 24 24 VAL H H 24 8.651 8.651 7.760 0.891 25181 762 1 5 . 1 1 25 25 PHE N N 25 119.495 119.495 121.847 -2.352 25181 763 1 5 . 1 1 25 25 PHE CA C 25 61.620 61.620 62.412 -0.792 25181 764 1 5 . 1 1 25 25 PHE H H 25 8.372 8.372 8.180 0.192 25181 765 1 5 . 1 1 26 26 PHE N N 26 117.500 117.500 119.345 -1.845 25181 766 1 5 . 1 1 26 26 PHE CA C 26 61.480 61.480 63.107 -1.627 25181 767 1 5 . 1 1 26 26 PHE H H 26 8.990 8.990 9.234 -0.244 25181 768 1 5 . 1 1 27 27 SER N N 27 114.828 114.828 115.742 -0.914 25181 769 1 5 . 1 1 27 27 SER CA C 27 62.680 62.680 62.118 0.562 25181 770 1 5 . 1 1 27 27 SER H H 27 8.332 8.332 8.415 -0.083 25181 771 1 5 . 1 1 28 28 ALA N N 28 123.714 123.714 122.855 0.859 25181 772 1 5 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.322 0.538 25181 773 1 5 . 1 1 28 28 ALA H H 28 8.370 8.370 7.432 0.938 25181 774 1 5 . 1 1 29 29 ALA N N 29 119.273 119.273 122.090 -2.817 25181 775 1 5 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.440 0.090 25181 776 1 5 . 1 1 29 29 ALA H H 29 8.309 8.309 8.121 0.188 25181 777 1 5 . 1 1 30 30 TRP N N 30 118.586 118.586 120.517 -1.931 25181 778 1 5 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.571 -0.291 25181 779 1 5 . 1 1 30 30 TRP H H 30 8.493 8.493 9.013 -0.520 25181 780 1 5 . 1 1 31 31 TYR N N 31 119.618 119.618 120.605 -0.987 25181 781 1 5 . 1 1 31 31 TYR CA C 31 61.110 61.110 60.784 0.326 25181 782 1 5 . 1 1 31 31 TYR H H 31 8.448 8.448 7.635 0.813 25181 783 1 5 . 1 1 32 32 ILE N N 32 117.717 117.717 119.356 -1.639 25181 784 1 5 . 1 1 32 32 ILE CA C 32 64.120 64.120 62.135 1.985 25181 785 1 5 . 1 1 32 32 ILE H H 32 8.398 8.398 7.645 0.753 25181 786 1 5 . 1 1 33 33 LYS N N 33 119.439 119.439 119.320 0.119 25181 787 1 5 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.338 -0.048 25181 788 1 5 . 1 1 33 33 LYS H H 33 8.170 8.170 8.096 0.074 25181 789 1 5 . 1 1 34 34 GLY N N 34 105.462 105.462 107.205 -1.743 25181 790 1 5 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.952 -0.492 25181 791 1 5 . 1 1 34 34 GLY H H 34 7.886 7.886 8.049 -0.163 25181 792 1 5 . 1 1 35 35 ARG N N 35 118.092 118.092 119.827 -1.735 25181 793 1 5 . 1 1 35 35 ARG CA C 35 55.460 55.460 55.388 0.072 25181 794 1 5 . 1 1 35 35 ARG H H 35 7.702 7.702 7.961 -0.259 25181 795 1 5 . 1 1 36 36 LEU N N 36 119.012 119.012 123.070 -4.058 25181 796 1 5 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.659 -0.259 25181 797 1 5 . 1 1 36 36 LEU H H 36 7.676 7.676 8.013 -0.337 25181 798 1 5 . 1 1 37 37 ALA N N 37 124.067 124.067 128.969 -4.902 25181 799 1 5 . 1 1 37 37 ALA CA C 37 50.140 50.140 50.235 -0.095 25181 800 1 5 . 1 1 37 37 ALA H H 37 8.133 8.133 8.294 -0.161 25181 801 1 5 . 1 1 39 39 GLY N N 39 108.143 108.143 107.419 0.724 25181 802 1 5 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.516 -0.286 25181 803 1 5 . 1 1 39 39 GLY H H 39 8.582 8.582 8.689 -0.107 25181 804 1 5 . 1 1 40 40 ALA N N 40 123.368 123.368 127.050 -3.682 25181 805 1 5 . 1 1 40 40 ALA CA C 40 52.500 52.500 54.590 -2.090 25181 806 1 5 . 1 1 40 40 ALA H H 40 8.007 8.007 8.095 -0.088 25181 807 1 5 . 1 1 41 41 ALA N N 41 121.434 121.434 119.508 1.926 25181 808 1 5 . 1 1 41 41 ALA CA C 41 53.190 53.190 52.146 1.044 25181 809 1 5 . 1 1 41 41 ALA H H 41 8.330 8.330 8.145 0.185 25181 810 1 5 . 1 1 42 42 TYR N N 42 116.666 116.666 121.278 -4.612 25181 811 1 5 . 1 1 42 42 TYR CA C 42 58.380 58.380 62.047 -3.667 25181 812 1 5 . 1 1 42 42 TYR H H 42 7.939 7.939 7.973 -0.034 25181 813 1 5 . 1 1 43 43 ALA N N 43 122.521 122.521 121.057 1.464 25181 814 1 5 . 1 1 43 43 ALA CA C 43 53.150 53.150 55.197 -2.046 25181 815 1 5 . 1 1 43 43 ALA H H 43 8.029 8.029 8.010 0.019 25181 816 1 5 . 1 1 44 44 PHE N N 44 116.483 116.483 118.067 -1.584 25181 817 1 5 . 1 1 44 44 PHE CA C 44 58.790 58.790 60.903 -2.113 25181 818 1 5 . 1 1 44 44 PHE H H 44 8.071 8.071 7.694 0.377 25181 819 1 5 . 1 1 45 45 TYR N N 45 117.436 117.436 116.559 0.877 25181 820 1 5 . 1 1 45 45 TYR CA C 45 59.070 59.070 59.484 -0.415 25181 821 1 5 . 1 1 45 45 TYR H H 45 7.986 7.986 7.330 0.656 25181 822 1 5 . 1 1 46 46 GLY N N 46 105.143 105.143 108.047 -2.904 25181 823 1 5 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.788 -1.328 25181 824 1 5 . 1 1 46 46 GLY H H 46 8.072 8.072 8.198 -0.126 25181 825 1 5 . 1 1 47 47 VAL N N 47 114.672 114.672 112.795 1.877 25181 826 1 5 . 1 1 47 47 VAL CA C 47 62.820 62.820 60.323 2.497 25181 827 1 5 . 1 1 47 47 VAL H H 47 7.914 7.914 7.632 0.282 25181 828 1 5 . 1 1 48 48 TRP N N 48 120.754 120.754 125.923 -5.169 25181 829 1 5 . 1 1 48 48 TRP CA C 48 61.900 61.900 61.672 0.228 25181 830 1 5 . 1 1 48 48 TRP H H 48 8.047 8.047 7.621 0.426 25181 831 1 5 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.795 1.035 25181 832 1 5 . 1 1 50 50 LEU N N 50 113.896 113.896 117.816 -3.920 25181 833 1 5 . 1 1 50 50 LEU CA C 50 57.680 57.680 56.844 0.836 25181 834 1 5 . 1 1 50 50 LEU H H 50 7.205 7.205 7.264 -0.059 25181 835 1 5 . 1 1 51 51 LEU N N 51 117.594 117.594 120.072 -2.478 25181 836 1 5 . 1 1 51 51 LEU CA C 51 57.620 57.620 57.505 0.115 25181 837 1 5 . 1 1 51 51 LEU H H 51 8.005 8.005 7.409 0.596 25181 838 1 5 . 1 1 52 52 LEU N N 52 116.078 116.078 117.569 -1.491 25181 839 1 5 . 1 1 52 52 LEU CA C 52 57.580 57.580 57.328 0.252 25181 840 1 5 . 1 1 52 52 LEU H H 52 7.992 7.992 7.353 0.639 25181 841 1 5 . 1 1 53 53 LEU N N 53 117.006 117.006 120.567 -3.561 25181 842 1 5 . 1 1 53 53 LEU CA C 53 56.750 56.750 57.843 -1.093 25181 843 1 5 . 1 1 53 53 LEU H H 53 7.719 7.719 7.501 0.218 25181 844 1 5 . 1 1 54 54 LEU N N 54 116.037 116.037 116.667 -0.630 25181 845 1 5 . 1 1 54 54 LEU CA C 54 57.500 57.500 56.847 0.653 25181 846 1 5 . 1 1 54 54 LEU H H 54 7.957 7.957 7.972 -0.015 25181 847 1 5 . 1 1 55 55 LEU N N 55 115.858 115.858 118.659 -2.801 25181 848 1 5 . 1 1 55 55 LEU CA C 55 56.020 56.020 56.611 -0.591 25181 849 1 5 . 1 1 55 55 LEU H H 55 7.882 7.882 7.218 0.664 25181 850 1 5 . 1 1 56 56 ALA N N 56 119.026 119.026 120.916 -1.890 25181 851 1 5 . 1 1 56 56 ALA CA C 56 51.990 51.990 54.413 -2.423 25181 852 1 5 . 1 1 56 56 ALA H H 56 7.828 7.828 8.384 -0.556 25181 853 1 5 . 1 1 57 57 LEU N N 57 118.319 118.319 120.482 -2.163 25181 854 1 5 . 1 1 57 57 LEU CA C 57 53.330 53.330 52.097 1.233 25181 855 1 5 . 1 1 57 57 LEU H H 57 7.548 7.548 7.476 0.072 25181 856 1 5 . 1 1 59 59 PRO CA C 59 63.610 63.610 64.899 -1.289 25181 857 1 5 . 1 1 60 60 ARG N N 60 117.573 117.573 117.800 -0.227 25181 858 1 5 . 1 1 60 60 ARG CA C 60 56.110 56.110 57.061 -0.951 25181 859 1 5 . 1 1 60 60 ARG H H 60 8.170 8.170 8.413 -0.243 25181 860 1 5 . 1 1 61 61 ALA N N 61 122.434 122.434 120.280 2.154 25181 861 1 5 . 1 1 61 61 ALA CA C 61 52.450 52.450 51.702 0.748 25181 862 1 5 . 1 1 61 61 ALA H H 61 8.244 8.244 7.478 0.766 25181 863 1 5 . 1 1 62 62 TYR N N 62 116.252 116.252 118.589 -2.337 25181 864 1 5 . 1 1 62 62 TYR CA C 62 56.760 56.760 58.209 -1.449 25181 865 1 5 . 1 1 62 62 TYR H H 62 7.796 7.796 8.305 -0.509 25181 866 1 6 . 1 1 2 2 LEU N N 2 121.238 121.238 119.063 2.175 25181 867 1 6 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.927 0.813 25181 868 1 6 . 1 1 2 2 LEU H H 2 8.866 8.866 8.113 0.753 25181 869 1 6 . 1 1 3 3 GLU N N 3 119.669 119.669 119.021 0.648 25181 870 1 6 . 1 1 3 3 GLU CA C 3 56.800 56.800 57.392 -0.592 25181 871 1 6 . 1 1 3 3 GLU H H 3 8.812 8.812 8.740 0.072 25181 872 1 6 . 1 1 4 4 ASN N N 4 117.251 117.251 116.453 0.798 25181 873 1 6 . 1 1 4 4 ASN CA C 4 53.610 53.610 54.331 -0.721 25181 874 1 6 . 1 1 4 4 ASN H H 4 8.318 8.318 7.812 0.506 25181 875 1 6 . 1 1 5 5 LEU N N 5 120.686 120.686 121.419 -0.733 25181 876 1 6 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.753 -1.873 25181 877 1 6 . 1 1 5 5 LEU H H 5 8.104 8.104 7.535 0.569 25181 878 1 6 . 1 1 6 6 VAL N N 6 118.674 118.674 118.986 -0.312 25181 879 1 6 . 1 1 6 6 VAL CA C 6 63.560 63.560 66.124 -2.564 25181 880 1 6 . 1 1 6 6 VAL H H 6 7.955 7.955 7.387 0.568 25181 881 1 6 . 1 1 7 7 VAL N N 7 120.217 120.217 119.423 0.794 25181 882 1 6 . 1 1 7 7 VAL CA C 7 63.330 63.330 66.546 -3.216 25181 883 1 6 . 1 1 7 7 VAL H H 7 7.929 7.929 7.896 0.033 25181 884 1 6 . 1 1 8 8 LEU N N 8 121.924 121.924 120.701 1.223 25181 885 1 6 . 1 1 8 8 LEU CA C 8 55.510 55.510 57.615 -2.105 25181 886 1 6 . 1 1 8 8 LEU H H 8 8.060 8.060 7.722 0.338 25181 887 1 6 . 1 1 9 9 ASN N N 9 118.024 118.024 117.589 0.435 25181 888 1 6 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.277 -2.717 25181 889 1 6 . 1 1 9 9 ASN H H 9 8.256 8.256 8.409 -0.153 25181 890 1 6 . 1 1 10 10 ALA N N 10 123.164 123.164 122.274 0.890 25181 891 1 6 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.585 -1.255 25181 892 1 6 . 1 1 10 10 ALA H H 10 8.372 8.372 8.214 0.158 25181 893 1 6 . 1 1 11 11 ALA N N 11 119.814 119.814 121.230 -1.416 25181 894 1 6 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.781 -1.361 25181 895 1 6 . 1 1 11 11 ALA H H 11 8.272 8.272 8.177 0.095 25181 896 1 6 . 1 1 12 12 SER N N 12 113.158 113.158 114.354 -1.196 25181 897 1 6 . 1 1 12 12 SER CA C 12 60.400 60.400 61.682 -1.282 25181 898 1 6 . 1 1 12 12 SER H H 12 8.090 8.090 7.799 0.291 25181 899 1 6 . 1 1 13 13 VAL N N 13 119.626 119.626 119.783 -0.157 25181 900 1 6 . 1 1 13 13 VAL CA C 13 63.380 63.380 63.757 -0.377 25181 901 1 6 . 1 1 13 13 VAL H H 13 7.946 7.946 8.068 -0.122 25181 902 1 6 . 1 1 14 14 ALA N N 14 123.520 123.520 121.176 2.344 25181 903 1 6 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.229 -1.079 25181 904 1 6 . 1 1 14 14 ALA H H 14 8.189 8.189 8.259 -0.070 25181 905 1 6 . 1 1 15 15 GLY N N 15 106.080 106.080 104.305 1.775 25181 906 1 6 . 1 1 15 15 GLY CA C 15 45.230 45.230 44.921 0.309 25181 907 1 6 . 1 1 15 15 GLY H H 15 8.290 8.290 7.830 0.460 25181 908 1 6 . 1 1 16 16 ALA N N 16 123.019 123.019 123.666 -0.647 25181 909 1 6 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.248 -0.968 25181 910 1 6 . 1 1 16 16 ALA H H 16 8.343 8.343 8.358 -0.015 25181 911 1 6 . 1 1 17 17 HIS N N 17 115.511 115.511 115.080 0.431 25181 912 1 6 . 1 1 17 17 HIS CA C 17 57.080 57.080 54.710 2.370 25181 913 1 6 . 1 1 17 17 HIS H H 17 8.626 8.626 7.874 0.752 25181 914 1 6 . 1 1 18 18 GLY N N 18 109.241 109.241 109.843 -0.602 25181 915 1 6 . 1 1 18 18 GLY CA C 18 46.480 46.480 47.115 -0.635 25181 916 1 6 . 1 1 18 18 GLY H H 18 8.542 8.542 7.804 0.738 25181 917 1 6 . 1 1 19 19 ILE N N 19 120.602 120.602 121.658 -1.056 25181 918 1 6 . 1 1 19 19 ILE CA C 19 63.560 63.560 62.861 0.699 25181 919 1 6 . 1 1 19 19 ILE H H 19 8.379 8.379 7.672 0.707 25181 920 1 6 . 1 1 20 20 LEU N N 20 120.271 120.271 119.068 1.203 25181 921 1 6 . 1 1 20 20 LEU CA C 20 58.100 58.100 57.948 0.152 25181 922 1 6 . 1 1 20 20 LEU H H 20 8.447 8.447 7.734 0.713 25181 923 1 6 . 1 1 21 21 SER N N 21 114.238 114.238 115.619 -1.381 25181 924 1 6 . 1 1 21 21 SER CA C 21 62.360 62.360 61.861 0.499 25181 925 1 6 . 1 1 21 21 SER H H 21 8.288 8.288 8.125 0.163 25181 926 1 6 . 1 1 22 22 PHE N N 22 120.907 120.907 120.655 0.252 25181 927 1 6 . 1 1 22 22 PHE CA C 22 61.670 61.670 61.450 0.220 25181 928 1 6 . 1 1 22 22 PHE H H 22 8.199 8.199 7.791 0.408 25181 929 1 6 . 1 1 23 23 LEU N N 23 118.536 118.536 120.335 -1.799 25181 930 1 6 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.635 -0.675 25181 931 1 6 . 1 1 23 23 LEU H H 23 8.613 8.613 7.834 0.779 25181 932 1 6 . 1 1 24 24 VAL N N 24 120.897 120.897 118.293 2.604 25181 933 1 6 . 1 1 24 24 VAL CA C 24 66.990 66.990 66.178 0.812 25181 934 1 6 . 1 1 24 24 VAL H H 24 8.651 8.651 7.297 1.354 25181 935 1 6 . 1 1 25 25 PHE N N 25 119.495 119.495 121.968 -2.473 25181 936 1 6 . 1 1 25 25 PHE CA C 25 61.620 61.620 61.203 0.417 25181 937 1 6 . 1 1 25 25 PHE H H 25 8.372 8.372 8.174 0.198 25181 938 1 6 . 1 1 26 26 PHE N N 26 117.500 117.500 120.340 -2.840 25181 939 1 6 . 1 1 26 26 PHE CA C 26 61.480 61.480 60.481 0.999 25181 940 1 6 . 1 1 26 26 PHE H H 26 8.990 8.990 9.444 -0.454 25181 941 1 6 . 1 1 27 27 SER N N 27 114.828 114.828 116.128 -1.300 25181 942 1 6 . 1 1 27 27 SER CA C 27 62.680 62.680 61.160 1.520 25181 943 1 6 . 1 1 27 27 SER H H 27 8.332 8.332 7.941 0.391 25181 944 1 6 . 1 1 28 28 ALA N N 28 123.714 123.714 123.003 0.711 25181 945 1 6 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.287 0.573 25181 946 1 6 . 1 1 28 28 ALA H H 28 8.370 8.370 7.483 0.887 25181 947 1 6 . 1 1 29 29 ALA N N 29 119.273 119.273 121.782 -2.509 25181 948 1 6 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.806 -0.277 25181 949 1 6 . 1 1 29 29 ALA H H 29 8.309 8.309 7.664 0.645 25181 950 1 6 . 1 1 30 30 TRP N N 30 118.586 118.586 118.496 0.090 25181 951 1 6 . 1 1 30 30 TRP CA C 30 60.280 60.280 61.752 -1.472 25181 952 1 6 . 1 1 30 30 TRP H H 30 8.493 8.493 8.487 0.006 25181 953 1 6 . 1 1 31 31 TYR N N 31 119.618 119.618 116.803 2.815 25181 954 1 6 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.275 -0.165 25181 955 1 6 . 1 1 31 31 TYR H H 31 8.448 8.448 8.015 0.433 25181 956 1 6 . 1 1 32 32 ILE N N 32 117.717 117.717 118.478 -0.761 25181 957 1 6 . 1 1 32 32 ILE CA C 32 64.120 64.120 64.259 -0.139 25181 958 1 6 . 1 1 32 32 ILE H H 32 8.398 8.398 8.022 0.376 25181 959 1 6 . 1 1 33 33 LYS N N 33 119.439 119.439 118.406 1.033 25181 960 1 6 . 1 1 33 33 LYS CA C 33 58.290 58.290 58.110 0.180 25181 961 1 6 . 1 1 33 33 LYS H H 33 8.170 8.170 8.352 -0.182 25181 962 1 6 . 1 1 34 34 GLY N N 34 105.462 105.462 105.598 -0.136 25181 963 1 6 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.938 -0.478 25181 964 1 6 . 1 1 34 34 GLY H H 34 7.886 7.886 8.067 -0.181 25181 965 1 6 . 1 1 35 35 ARG N N 35 118.092 118.092 118.194 -0.102 25181 966 1 6 . 1 1 35 35 ARG CA C 35 55.460 55.460 55.616 -0.156 25181 967 1 6 . 1 1 35 35 ARG H H 35 7.702 7.702 8.287 -0.585 25181 968 1 6 . 1 1 36 36 LEU N N 36 119.012 119.012 118.881 0.131 25181 969 1 6 . 1 1 36 36 LEU CA C 36 54.400 54.400 55.218 -0.818 25181 970 1 6 . 1 1 36 36 LEU H H 36 7.676 7.676 7.618 0.058 25181 971 1 6 . 1 1 37 37 ALA N N 37 124.067 124.067 122.561 1.506 25181 972 1 6 . 1 1 37 37 ALA CA C 37 50.140 50.140 51.273 -1.133 25181 973 1 6 . 1 1 37 37 ALA H H 37 8.133 8.133 8.272 -0.139 25181 974 1 6 . 1 1 39 39 GLY N N 39 108.143 108.143 112.348 -4.205 25181 975 1 6 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.313 -0.083 25181 976 1 6 . 1 1 39 39 GLY H H 39 8.582 8.582 8.525 0.057 25181 977 1 6 . 1 1 40 40 ALA N N 40 123.368 123.368 127.165 -3.797 25181 978 1 6 . 1 1 40 40 ALA CA C 40 52.500 52.500 54.146 -1.646 25181 979 1 6 . 1 1 40 40 ALA H H 40 8.007 8.007 8.553 -0.546 25181 980 1 6 . 1 1 41 41 ALA N N 41 121.434 121.434 121.561 -0.127 25181 981 1 6 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.911 -1.721 25181 982 1 6 . 1 1 41 41 ALA H H 41 8.330 8.330 8.060 0.270 25181 983 1 6 . 1 1 42 42 TYR N N 42 116.666 116.666 119.579 -2.913 25181 984 1 6 . 1 1 42 42 TYR CA C 42 58.380 58.380 61.734 -3.354 25181 985 1 6 . 1 1 42 42 TYR H H 42 7.939 7.939 8.003 -0.064 25181 986 1 6 . 1 1 43 43 ALA N N 43 122.521 122.521 119.938 2.583 25181 987 1 6 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.493 -1.343 25181 988 1 6 . 1 1 43 43 ALA H H 43 8.029 8.029 7.629 0.400 25181 989 1 6 . 1 1 44 44 PHE N N 44 116.483 116.483 117.829 -1.346 25181 990 1 6 . 1 1 44 44 PHE CA C 44 58.790 58.790 60.732 -1.942 25181 991 1 6 . 1 1 44 44 PHE H H 44 8.071 8.071 8.554 -0.483 25181 992 1 6 . 1 1 45 45 TYR N N 45 117.436 117.436 117.811 -0.375 25181 993 1 6 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.774 -1.704 25181 994 1 6 . 1 1 45 45 TYR H H 45 7.986 7.986 7.938 0.048 25181 995 1 6 . 1 1 46 46 GLY N N 46 105.143 105.143 104.851 0.292 25181 996 1 6 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.864 -0.404 25181 997 1 6 . 1 1 46 46 GLY H H 46 8.072 8.072 7.453 0.619 25181 998 1 6 . 1 1 47 47 VAL N N 47 114.672 114.672 121.216 -6.544 25181 999 1 6 . 1 1 47 47 VAL CA C 47 62.820 62.820 62.420 0.400 25181 1000 1 6 . 1 1 47 47 VAL H H 47 7.914 7.914 7.566 0.348 25181 1001 1 6 . 1 1 48 48 TRP N N 48 120.754 120.754 126.578 -5.824 25181 1002 1 6 . 1 1 48 48 TRP CA C 48 61.900 61.900 60.471 1.429 25181 1003 1 6 . 1 1 48 48 TRP H H 48 8.047 8.047 8.131 -0.084 25181 1004 1 6 . 1 1 49 49 PRO CA C 49 65.830 65.830 65.896 -0.066 25181 1005 1 6 . 1 1 50 50 LEU N N 50 113.896 113.896 117.355 -3.459 25181 1006 1 6 . 1 1 50 50 LEU CA C 50 57.680 57.680 57.671 0.009 25181 1007 1 6 . 1 1 50 50 LEU H H 50 7.205 7.205 8.151 -0.946 25181 1008 1 6 . 1 1 51 51 LEU N N 51 117.594 117.594 119.696 -2.102 25181 1009 1 6 . 1 1 51 51 LEU CA C 51 57.620 57.620 57.836 -0.216 25181 1010 1 6 . 1 1 51 51 LEU H H 51 8.005 8.005 7.434 0.571 25181 1011 1 6 . 1 1 52 52 LEU N N 52 116.078 116.078 117.777 -1.699 25181 1012 1 6 . 1 1 52 52 LEU CA C 52 57.580 57.580 57.097 0.483 25181 1013 1 6 . 1 1 52 52 LEU H H 52 7.992 7.992 7.633 0.359 25181 1014 1 6 . 1 1 53 53 LEU N N 53 117.006 117.006 121.260 -4.254 25181 1015 1 6 . 1 1 53 53 LEU CA C 53 56.750 56.750 58.330 -1.580 25181 1016 1 6 . 1 1 53 53 LEU H H 53 7.719 7.719 7.708 0.011 25181 1017 1 6 . 1 1 54 54 LEU N N 54 116.037 116.037 118.308 -2.271 25181 1018 1 6 . 1 1 54 54 LEU CA C 54 57.500 57.500 57.122 0.378 25181 1019 1 6 . 1 1 54 54 LEU H H 54 7.957 7.957 7.810 0.147 25181 1020 1 6 . 1 1 55 55 LEU N N 55 115.858 115.858 119.132 -3.274 25181 1021 1 6 . 1 1 55 55 LEU CA C 55 56.020 56.020 57.386 -1.365 25181 1022 1 6 . 1 1 55 55 LEU H H 55 7.882 7.882 7.276 0.606 25181 1023 1 6 . 1 1 56 56 ALA N N 56 119.026 119.026 117.101 1.925 25181 1024 1 6 . 1 1 56 56 ALA CA C 56 51.990 51.990 52.054 -0.064 25181 1025 1 6 . 1 1 56 56 ALA H H 56 7.828 7.828 7.533 0.295 25181 1026 1 6 . 1 1 57 57 LEU N N 57 118.319 118.319 120.917 -2.598 25181 1027 1 6 . 1 1 57 57 LEU CA C 57 53.330 53.330 51.597 1.733 25181 1028 1 6 . 1 1 57 57 LEU H H 57 7.548 7.548 8.118 -0.570 25181 1029 1 6 . 1 1 59 59 PRO CA C 59 63.610 63.610 65.403 -1.793 25181 1030 1 6 . 1 1 60 60 ARG N N 60 117.573 117.573 116.631 0.942 25181 1031 1 6 . 1 1 60 60 ARG CA C 60 56.110 56.110 57.444 -1.334 25181 1032 1 6 . 1 1 60 60 ARG H H 60 8.170 8.170 8.259 -0.089 25181 1033 1 6 . 1 1 61 61 ALA N N 61 122.434 122.434 119.252 3.182 25181 1034 1 6 . 1 1 61 61 ALA CA C 61 52.450 52.450 50.270 2.179 25181 1035 1 6 . 1 1 61 61 ALA H H 61 8.244 8.244 7.665 0.579 25181 1036 1 6 . 1 1 62 62 TYR N N 62 116.252 116.252 121.274 -5.022 25181 1037 1 6 . 1 1 62 62 TYR CA C 62 56.760 56.760 60.181 -3.421 25181 1038 1 6 . 1 1 62 62 TYR H H 62 7.796 7.796 8.651 -0.855 25181 1039 1 7 . 1 1 2 2 LEU N N 2 121.238 121.238 121.457 -0.219 25181 1040 1 7 . 1 1 2 2 LEU CA C 2 55.740 55.740 57.040 -1.300 25181 1041 1 7 . 1 1 2 2 LEU H H 2 8.866 8.866 8.470 0.396 25181 1042 1 7 . 1 1 3 3 GLU N N 3 119.669 119.669 117.240 2.429 25181 1043 1 7 . 1 1 3 3 GLU CA C 3 56.800 56.800 58.405 -1.605 25181 1044 1 7 . 1 1 3 3 GLU H H 3 8.812 8.812 8.843 -0.031 25181 1045 1 7 . 1 1 4 4 ASN N N 4 117.251 117.251 115.598 1.653 25181 1046 1 7 . 1 1 4 4 ASN CA C 4 53.610 53.610 53.249 0.361 25181 1047 1 7 . 1 1 4 4 ASN H H 4 8.318 8.318 7.595 0.723 25181 1048 1 7 . 1 1 5 5 LEU N N 5 120.686 120.686 120.637 0.049 25181 1049 1 7 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.044 -1.164 25181 1050 1 7 . 1 1 5 5 LEU H H 5 8.104 8.104 8.026 0.078 25181 1051 1 7 . 1 1 6 6 VAL N N 6 118.674 118.674 120.369 -1.695 25181 1052 1 7 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.926 -2.366 25181 1053 1 7 . 1 1 6 6 VAL H H 6 7.955 7.955 7.634 0.321 25181 1054 1 7 . 1 1 7 7 VAL N N 7 120.217 120.217 117.332 2.885 25181 1055 1 7 . 1 1 7 7 VAL CA C 7 63.330 63.330 66.016 -2.686 25181 1056 1 7 . 1 1 7 7 VAL H H 7 7.929 7.929 7.566 0.363 25181 1057 1 7 . 1 1 8 8 LEU N N 8 121.924 121.924 122.955 -1.031 25181 1058 1 7 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.042 -2.532 25181 1059 1 7 . 1 1 8 8 LEU H H 8 8.060 8.060 8.021 0.039 25181 1060 1 7 . 1 1 9 9 ASN N N 9 118.024 118.024 117.685 0.339 25181 1061 1 7 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.322 -2.763 25181 1062 1 7 . 1 1 9 9 ASN H H 9 8.256 8.256 7.917 0.339 25181 1063 1 7 . 1 1 10 10 ALA N N 10 123.164 123.164 121.454 1.710 25181 1064 1 7 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.638 -1.308 25181 1065 1 7 . 1 1 10 10 ALA H H 10 8.372 8.372 8.213 0.159 25181 1066 1 7 . 1 1 11 11 ALA N N 11 119.814 119.814 121.573 -1.759 25181 1067 1 7 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.976 -1.556 25181 1068 1 7 . 1 1 11 11 ALA H H 11 8.272 8.272 8.611 -0.339 25181 1069 1 7 . 1 1 12 12 SER N N 12 113.158 113.158 113.367 -0.209 25181 1070 1 7 . 1 1 12 12 SER CA C 12 60.400 60.400 61.184 -0.784 25181 1071 1 7 . 1 1 12 12 SER H H 12 8.090 8.090 7.901 0.189 25181 1072 1 7 . 1 1 13 13 VAL N N 13 119.626 119.626 120.312 -0.686 25181 1073 1 7 . 1 1 13 13 VAL CA C 13 63.380 63.380 64.656 -1.276 25181 1074 1 7 . 1 1 13 13 VAL H H 13 7.946 7.946 7.397 0.549 25181 1075 1 7 . 1 1 14 14 ALA N N 14 123.520 123.520 121.324 2.196 25181 1076 1 7 . 1 1 14 14 ALA CA C 14 53.150 53.150 53.939 -0.789 25181 1077 1 7 . 1 1 14 14 ALA H H 14 8.189 8.189 8.149 0.040 25181 1078 1 7 . 1 1 15 15 GLY N N 15 106.080 106.080 104.035 2.045 25181 1079 1 7 . 1 1 15 15 GLY CA C 15 45.230 45.230 44.897 0.333 25181 1080 1 7 . 1 1 15 15 GLY H H 15 8.290 8.290 8.569 -0.279 25181 1081 1 7 . 1 1 16 16 ALA N N 16 123.019 123.019 124.587 -1.568 25181 1082 1 7 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.065 -0.785 25181 1083 1 7 . 1 1 16 16 ALA H H 16 8.343 8.343 7.842 0.501 25181 1084 1 7 . 1 1 17 17 HIS N N 17 115.511 115.511 118.334 -2.823 25181 1085 1 7 . 1 1 17 17 HIS CA C 17 57.080 57.080 59.580 -2.500 25181 1086 1 7 . 1 1 17 17 HIS H H 17 8.626 8.626 9.059 -0.433 25181 1087 1 7 . 1 1 18 18 GLY N N 18 109.241 109.241 107.964 1.277 25181 1088 1 7 . 1 1 18 18 GLY CA C 18 46.480 46.480 45.998 0.482 25181 1089 1 7 . 1 1 18 18 GLY H H 18 8.542 8.542 7.999 0.543 25181 1090 1 7 . 1 1 19 19 ILE N N 19 120.602 120.602 122.822 -2.220 25181 1091 1 7 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.759 -0.199 25181 1092 1 7 . 1 1 19 19 ILE H H 19 8.379 8.379 8.316 0.063 25181 1093 1 7 . 1 1 20 20 LEU N N 20 120.271 120.271 120.874 -0.603 25181 1094 1 7 . 1 1 20 20 LEU CA C 20 58.100 58.100 58.180 -0.080 25181 1095 1 7 . 1 1 20 20 LEU H H 20 8.447 8.447 7.440 1.007 25181 1096 1 7 . 1 1 21 21 SER N N 21 114.238 114.238 115.941 -1.703 25181 1097 1 7 . 1 1 21 21 SER CA C 21 62.360 62.360 61.965 0.395 25181 1098 1 7 . 1 1 21 21 SER H H 21 8.288 8.288 8.239 0.049 25181 1099 1 7 . 1 1 22 22 PHE N N 22 120.907 120.907 121.944 -1.037 25181 1100 1 7 . 1 1 22 22 PHE CA C 22 61.670 61.670 62.166 -0.496 25181 1101 1 7 . 1 1 22 22 PHE H H 22 8.199 8.199 7.657 0.542 25181 1102 1 7 . 1 1 23 23 LEU N N 23 118.536 118.536 121.227 -2.691 25181 1103 1 7 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.324 -0.364 25181 1104 1 7 . 1 1 23 23 LEU H H 23 8.613 8.613 8.045 0.568 25181 1105 1 7 . 1 1 24 24 VAL N N 24 120.897 120.897 119.491 1.406 25181 1106 1 7 . 1 1 24 24 VAL CA C 24 66.990 66.990 66.480 0.510 25181 1107 1 7 . 1 1 24 24 VAL H H 24 8.651 8.651 8.223 0.428 25181 1108 1 7 . 1 1 25 25 PHE N N 25 119.495 119.495 119.922 -0.427 25181 1109 1 7 . 1 1 25 25 PHE CA C 25 61.620 61.620 62.744 -1.124 25181 1110 1 7 . 1 1 25 25 PHE H H 25 8.372 8.372 8.153 0.219 25181 1111 1 7 . 1 1 26 26 PHE N N 26 117.500 117.500 120.361 -2.861 25181 1112 1 7 . 1 1 26 26 PHE CA C 26 61.480 61.480 61.949 -0.469 25181 1113 1 7 . 1 1 26 26 PHE H H 26 8.990 8.990 9.209 -0.219 25181 1114 1 7 . 1 1 27 27 SER N N 27 114.828 114.828 115.873 -1.045 25181 1115 1 7 . 1 1 27 27 SER CA C 27 62.680 62.680 62.081 0.599 25181 1116 1 7 . 1 1 27 27 SER H H 27 8.332 8.332 8.846 -0.514 25181 1117 1 7 . 1 1 28 28 ALA N N 28 123.714 123.714 122.515 1.199 25181 1118 1 7 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.495 0.365 25181 1119 1 7 . 1 1 28 28 ALA H H 28 8.370 8.370 8.062 0.308 25181 1120 1 7 . 1 1 29 29 ALA N N 29 119.273 119.273 122.552 -3.279 25181 1121 1 7 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.621 -0.091 25181 1122 1 7 . 1 1 29 29 ALA H H 29 8.309 8.309 7.626 0.683 25181 1123 1 7 . 1 1 30 30 TRP N N 30 118.586 118.586 120.098 -1.512 25181 1124 1 7 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.384 -0.104 25181 1125 1 7 . 1 1 30 30 TRP H H 30 8.493 8.493 8.294 0.199 25181 1126 1 7 . 1 1 31 31 TYR N N 31 119.618 119.618 119.333 0.285 25181 1127 1 7 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.060 0.050 25181 1128 1 7 . 1 1 31 31 TYR H H 31 8.448 8.448 7.588 0.860 25181 1129 1 7 . 1 1 32 32 ILE N N 32 117.717 117.717 118.538 -0.821 25181 1130 1 7 . 1 1 32 32 ILE CA C 32 64.120 64.120 63.637 0.483 25181 1131 1 7 . 1 1 32 32 ILE H H 32 8.398 8.398 8.462 -0.064 25181 1132 1 7 . 1 1 33 33 LYS N N 33 119.439 119.439 120.081 -0.642 25181 1133 1 7 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.076 1.214 25181 1134 1 7 . 1 1 33 33 LYS H H 33 8.170 8.170 7.517 0.653 25181 1135 1 7 . 1 1 34 34 GLY N N 34 105.462 105.462 104.279 1.183 25181 1136 1 7 . 1 1 34 34 GLY CA C 34 45.460 45.460 44.665 0.795 25181 1137 1 7 . 1 1 34 34 GLY H H 34 7.886 7.886 7.444 0.442 25181 1138 1 7 . 1 1 35 35 ARG N N 35 118.092 118.092 120.780 -2.688 25181 1139 1 7 . 1 1 35 35 ARG CA C 35 55.460 55.460 57.169 -1.709 25181 1140 1 7 . 1 1 35 35 ARG H H 35 7.702 7.702 7.868 -0.166 25181 1141 1 7 . 1 1 36 36 LEU N N 36 119.012 119.012 121.531 -2.519 25181 1142 1 7 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.183 0.217 25181 1143 1 7 . 1 1 36 36 LEU H H 36 7.676 7.676 8.003 -0.327 25181 1144 1 7 . 1 1 37 37 ALA N N 37 124.067 124.067 124.297 -0.230 25181 1145 1 7 . 1 1 37 37 ALA CA C 37 50.140 50.140 50.312 -0.172 25181 1146 1 7 . 1 1 37 37 ALA H H 37 8.133 8.133 8.426 -0.293 25181 1147 1 7 . 1 1 39 39 GLY N N 39 108.143 108.143 108.697 -0.554 25181 1148 1 7 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.434 -0.204 25181 1149 1 7 . 1 1 39 39 GLY H H 39 8.582 8.582 8.569 0.013 25181 1150 1 7 . 1 1 40 40 ALA N N 40 123.368 123.368 126.934 -3.566 25181 1151 1 7 . 1 1 40 40 ALA CA C 40 52.500 52.500 54.090 -1.590 25181 1152 1 7 . 1 1 40 40 ALA H H 40 8.007 8.007 8.408 -0.401 25181 1153 1 7 . 1 1 41 41 ALA N N 41 121.434 121.434 120.107 1.327 25181 1154 1 7 . 1 1 41 41 ALA CA C 41 53.190 53.190 53.281 -0.091 25181 1155 1 7 . 1 1 41 41 ALA H H 41 8.330 8.330 8.678 -0.348 25181 1156 1 7 . 1 1 42 42 TYR N N 42 116.666 116.666 118.375 -1.709 25181 1157 1 7 . 1 1 42 42 TYR CA C 42 58.380 58.380 59.959 -1.579 25181 1158 1 7 . 1 1 42 42 TYR H H 42 7.939 7.939 7.910 0.029 25181 1159 1 7 . 1 1 43 43 ALA N N 43 122.521 122.521 122.427 0.094 25181 1160 1 7 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.203 -1.053 25181 1161 1 7 . 1 1 43 43 ALA H H 43 8.029 8.029 7.845 0.184 25181 1162 1 7 . 1 1 44 44 PHE N N 44 116.483 116.483 117.674 -1.191 25181 1163 1 7 . 1 1 44 44 PHE CA C 44 58.790 58.790 58.293 0.497 25181 1164 1 7 . 1 1 44 44 PHE H H 44 8.071 8.071 8.412 -0.341 25181 1165 1 7 . 1 1 45 45 TYR N N 45 117.436 117.436 121.199 -3.763 25181 1166 1 7 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.359 -1.289 25181 1167 1 7 . 1 1 45 45 TYR H H 45 7.986 7.986 8.133 -0.147 25181 1168 1 7 . 1 1 46 46 GLY N N 46 105.143 105.143 105.173 -0.030 25181 1169 1 7 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.406 0.054 25181 1170 1 7 . 1 1 46 46 GLY H H 46 8.072 8.072 7.684 0.388 25181 1171 1 7 . 1 1 47 47 VAL N N 47 114.672 114.672 119.751 -5.079 25181 1172 1 7 . 1 1 47 47 VAL CA C 47 62.820 62.820 62.253 0.567 25181 1173 1 7 . 1 1 47 47 VAL H H 47 7.914 7.914 7.988 -0.074 25181 1174 1 7 . 1 1 48 48 TRP N N 48 120.754 120.754 120.292 0.462 25181 1175 1 7 . 1 1 48 48 TRP CA C 48 61.900 61.900 59.152 2.748 25181 1176 1 7 . 1 1 48 48 TRP H H 48 8.047 8.047 7.356 0.691 25181 1177 1 7 . 1 1 49 49 PRO CA C 49 65.830 65.830 63.058 2.772 25181 1178 1 7 . 1 1 50 50 LEU N N 50 113.896 113.896 119.448 -5.552 25181 1179 1 7 . 1 1 50 50 LEU CA C 50 57.680 57.680 56.945 0.735 25181 1180 1 7 . 1 1 50 50 LEU H H 50 7.205 7.205 7.453 -0.248 25181 1181 1 7 . 1 1 51 51 LEU N N 51 117.594 117.594 118.315 -0.721 25181 1182 1 7 . 1 1 51 51 LEU CA C 51 57.620 57.620 56.579 1.041 25181 1183 1 7 . 1 1 51 51 LEU H H 51 8.005 8.005 7.483 0.522 25181 1184 1 7 . 1 1 52 52 LEU N N 52 116.078 116.078 120.266 -4.188 25181 1185 1 7 . 1 1 52 52 LEU CA C 52 57.580 57.580 57.569 0.011 25181 1186 1 7 . 1 1 52 52 LEU H H 52 7.992 7.992 7.735 0.257 25181 1187 1 7 . 1 1 53 53 LEU N N 53 117.006 117.006 117.413 -0.407 25181 1188 1 7 . 1 1 53 53 LEU CA C 53 56.750 56.750 56.714 0.036 25181 1189 1 7 . 1 1 53 53 LEU H H 53 7.719 7.719 7.381 0.338 25181 1190 1 7 . 1 1 54 54 LEU N N 54 116.037 116.037 120.087 -4.050 25181 1191 1 7 . 1 1 54 54 LEU CA C 54 57.500 57.500 58.374 -0.874 25181 1192 1 7 . 1 1 54 54 LEU H H 54 7.957 7.957 7.397 0.560 25181 1193 1 7 . 1 1 55 55 LEU N N 55 115.858 115.858 117.922 -2.064 25181 1194 1 7 . 1 1 55 55 LEU CA C 55 56.020 56.020 57.771 -1.751 25181 1195 1 7 . 1 1 55 55 LEU H H 55 7.882 7.882 7.471 0.411 25181 1196 1 7 . 1 1 56 56 ALA N N 56 119.026 119.026 117.640 1.386 25181 1197 1 7 . 1 1 56 56 ALA CA C 56 51.990 51.990 52.862 -0.872 25181 1198 1 7 . 1 1 56 56 ALA H H 56 7.828 7.828 7.755 0.073 25181 1199 1 7 . 1 1 57 57 LEU N N 57 118.319 118.319 118.387 -0.068 25181 1200 1 7 . 1 1 57 57 LEU CA C 57 53.330 53.330 51.260 2.070 25181 1201 1 7 . 1 1 57 57 LEU H H 57 7.548 7.548 7.341 0.207 25181 1202 1 7 . 1 1 59 59 PRO CA C 59 63.610 63.610 65.112 -1.502 25181 1203 1 7 . 1 1 60 60 ARG N N 60 117.573 117.573 117.365 0.208 25181 1204 1 7 . 1 1 60 60 ARG CA C 60 56.110 56.110 57.187 -1.077 25181 1205 1 7 . 1 1 60 60 ARG H H 60 8.170 8.170 8.103 0.067 25181 1206 1 7 . 1 1 61 61 ALA N N 61 122.434 122.434 119.962 2.472 25181 1207 1 7 . 1 1 61 61 ALA CA C 61 52.450 52.450 51.104 1.346 25181 1208 1 7 . 1 1 61 61 ALA H H 61 8.244 8.244 7.824 0.420 25181 1209 1 7 . 1 1 62 62 TYR N N 62 116.252 116.252 114.007 2.245 25181 1210 1 7 . 1 1 62 62 TYR CA C 62 56.760 56.760 56.990 -0.231 25181 1211 1 7 . 1 1 62 62 TYR H H 62 7.796 7.796 7.572 0.224 25181 1212 1 8 . 1 1 2 2 LEU N N 2 121.238 121.238 123.722 -2.484 25181 1213 1 8 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.522 1.218 25181 1214 1 8 . 1 1 2 2 LEU H H 2 8.866 8.866 8.104 0.762 25181 1215 1 8 . 1 1 3 3 GLU N N 3 119.669 119.669 122.648 -2.979 25181 1216 1 8 . 1 1 3 3 GLU CA C 3 56.800 56.800 58.851 -2.051 25181 1217 1 8 . 1 1 3 3 GLU H H 3 8.812 8.812 8.952 -0.140 25181 1218 1 8 . 1 1 4 4 ASN N N 4 117.251 117.251 116.954 0.297 25181 1219 1 8 . 1 1 4 4 ASN CA C 4 53.610 53.610 55.291 -1.681 25181 1220 1 8 . 1 1 4 4 ASN H H 4 8.318 8.318 8.154 0.164 25181 1221 1 8 . 1 1 5 5 LEU N N 5 120.686 120.686 120.061 0.625 25181 1222 1 8 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.671 -1.791 25181 1223 1 8 . 1 1 5 5 LEU H H 5 8.104 8.104 8.237 -0.133 25181 1224 1 8 . 1 1 6 6 VAL N N 6 118.674 118.674 118.426 0.248 25181 1225 1 8 . 1 1 6 6 VAL CA C 6 63.560 63.560 66.326 -2.765 25181 1226 1 8 . 1 1 6 6 VAL H H 6 7.955 7.955 7.628 0.327 25181 1227 1 8 . 1 1 7 7 VAL N N 7 120.217 120.217 118.051 2.166 25181 1228 1 8 . 1 1 7 7 VAL CA C 7 63.330 63.330 64.278 -0.948 25181 1229 1 8 . 1 1 7 7 VAL H H 7 7.929 7.929 7.334 0.595 25181 1230 1 8 . 1 1 8 8 LEU N N 8 121.924 121.924 121.913 0.011 25181 1231 1 8 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.290 -2.780 25181 1232 1 8 . 1 1 8 8 LEU H H 8 8.060 8.060 8.842 -0.782 25181 1233 1 8 . 1 1 9 9 ASN N N 9 118.024 118.024 116.912 1.112 25181 1234 1 8 . 1 1 9 9 ASN CA C 9 53.560 53.560 55.711 -2.151 25181 1235 1 8 . 1 1 9 9 ASN H H 9 8.256 8.256 7.870 0.386 25181 1236 1 8 . 1 1 10 10 ALA N N 10 123.164 123.164 122.256 0.908 25181 1237 1 8 . 1 1 10 10 ALA CA C 10 53.330 53.330 53.793 -0.463 25181 1238 1 8 . 1 1 10 10 ALA H H 10 8.372 8.372 7.633 0.739 25181 1239 1 8 . 1 1 11 11 ALA N N 11 119.814 119.814 121.813 -1.999 25181 1240 1 8 . 1 1 11 11 ALA CA C 11 53.420 53.420 55.308 -1.888 25181 1241 1 8 . 1 1 11 11 ALA H H 11 8.272 8.272 8.056 0.216 25181 1242 1 8 . 1 1 12 12 SER N N 12 113.158 113.158 115.278 -2.120 25181 1243 1 8 . 1 1 12 12 SER CA C 12 60.400 60.400 61.649 -1.249 25181 1244 1 8 . 1 1 12 12 SER H H 12 8.090 8.090 7.924 0.166 25181 1245 1 8 . 1 1 13 13 VAL N N 13 119.626 119.626 120.772 -1.146 25181 1246 1 8 . 1 1 13 13 VAL CA C 13 63.380 63.380 65.271 -1.891 25181 1247 1 8 . 1 1 13 13 VAL H H 13 7.946 7.946 7.499 0.447 25181 1248 1 8 . 1 1 14 14 ALA N N 14 123.520 123.520 119.673 3.847 25181 1249 1 8 . 1 1 14 14 ALA CA C 14 53.150 53.150 53.403 -0.253 25181 1250 1 8 . 1 1 14 14 ALA H H 14 8.189 8.189 7.986 0.203 25181 1251 1 8 . 1 1 15 15 GLY N N 15 106.080 106.080 104.239 1.841 25181 1252 1 8 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.270 -0.040 25181 1253 1 8 . 1 1 15 15 GLY H H 15 8.290 8.290 8.150 0.140 25181 1254 1 8 . 1 1 16 16 ALA N N 16 123.019 123.019 125.044 -2.025 25181 1255 1 8 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.695 -1.415 25181 1256 1 8 . 1 1 16 16 ALA H H 16 8.343 8.343 7.602 0.741 25181 1257 1 8 . 1 1 17 17 HIS N N 17 115.511 115.511 119.286 -3.775 25181 1258 1 8 . 1 1 17 17 HIS CA C 17 57.080 57.080 57.843 -0.763 25181 1259 1 8 . 1 1 17 17 HIS H H 17 8.626 8.626 8.791 -0.165 25181 1260 1 8 . 1 1 18 18 GLY N N 18 109.241 109.241 107.953 1.288 25181 1261 1 8 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.465 0.015 25181 1262 1 8 . 1 1 18 18 GLY H H 18 8.542 8.542 8.164 0.378 25181 1263 1 8 . 1 1 19 19 ILE N N 19 120.602 120.602 121.957 -1.355 25181 1264 1 8 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.818 -0.258 25181 1265 1 8 . 1 1 19 19 ILE H H 19 8.379 8.379 7.693 0.686 25181 1266 1 8 . 1 1 20 20 LEU N N 20 120.271 120.271 119.784 0.487 25181 1267 1 8 . 1 1 20 20 LEU CA C 20 58.100 58.100 58.011 0.089 25181 1268 1 8 . 1 1 20 20 LEU H H 20 8.447 8.447 7.534 0.913 25181 1269 1 8 . 1 1 21 21 SER N N 21 114.238 114.238 115.027 -0.789 25181 1270 1 8 . 1 1 21 21 SER CA C 21 62.360 62.360 61.524 0.836 25181 1271 1 8 . 1 1 21 21 SER H H 21 8.288 8.288 7.749 0.539 25181 1272 1 8 . 1 1 22 22 PHE N N 22 120.907 120.907 122.476 -1.569 25181 1273 1 8 . 1 1 22 22 PHE CA C 22 61.670 61.670 59.585 2.085 25181 1274 1 8 . 1 1 22 22 PHE H H 22 8.199 8.199 7.688 0.511 25181 1275 1 8 . 1 1 23 23 LEU N N 23 118.536 118.536 121.810 -3.274 25181 1276 1 8 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.127 -0.168 25181 1277 1 8 . 1 1 23 23 LEU H H 23 8.613 8.613 7.828 0.785 25181 1278 1 8 . 1 1 24 24 VAL N N 24 120.897 120.897 118.091 2.806 25181 1279 1 8 . 1 1 24 24 VAL CA C 24 66.990 66.990 65.314 1.676 25181 1280 1 8 . 1 1 24 24 VAL H H 24 8.651 8.651 7.246 1.405 25181 1281 1 8 . 1 1 25 25 PHE N N 25 119.495 119.495 120.780 -1.285 25181 1282 1 8 . 1 1 25 25 PHE CA C 25 61.620 61.620 60.952 0.668 25181 1283 1 8 . 1 1 25 25 PHE H H 25 8.372 8.372 7.140 1.232 25181 1284 1 8 . 1 1 26 26 PHE N N 26 117.500 117.500 120.011 -2.511 25181 1285 1 8 . 1 1 26 26 PHE CA C 26 61.480 61.480 60.915 0.565 25181 1286 1 8 . 1 1 26 26 PHE H H 26 8.990 8.990 8.005 0.985 25181 1287 1 8 . 1 1 27 27 SER N N 27 114.828 114.828 115.738 -0.910 25181 1288 1 8 . 1 1 27 27 SER CA C 27 62.680 62.680 60.846 1.834 25181 1289 1 8 . 1 1 27 27 SER H H 27 8.332 8.332 7.872 0.460 25181 1290 1 8 . 1 1 28 28 ALA N N 28 123.714 123.714 123.300 0.414 25181 1291 1 8 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.083 0.777 25181 1292 1 8 . 1 1 28 28 ALA H H 28 8.370 8.370 7.265 1.105 25181 1293 1 8 . 1 1 29 29 ALA N N 29 119.273 119.273 121.324 -2.051 25181 1294 1 8 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.875 -0.345 25181 1295 1 8 . 1 1 29 29 ALA H H 29 8.309 8.309 8.164 0.145 25181 1296 1 8 . 1 1 30 30 TRP N N 30 118.586 118.586 118.396 0.190 25181 1297 1 8 . 1 1 30 30 TRP CA C 30 60.280 60.280 59.771 0.509 25181 1298 1 8 . 1 1 30 30 TRP H H 30 8.493 8.493 7.602 0.891 25181 1299 1 8 . 1 1 31 31 TYR N N 31 119.618 119.618 120.242 -0.624 25181 1300 1 8 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.400 -0.290 25181 1301 1 8 . 1 1 31 31 TYR H H 31 8.448 8.448 7.505 0.943 25181 1302 1 8 . 1 1 32 32 ILE N N 32 117.717 117.717 117.790 -0.073 25181 1303 1 8 . 1 1 32 32 ILE CA C 32 64.120 64.120 63.970 0.150 25181 1304 1 8 . 1 1 32 32 ILE H H 32 8.398 8.398 7.568 0.830 25181 1305 1 8 . 1 1 33 33 LYS N N 33 119.439 119.439 118.407 1.032 25181 1306 1 8 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.731 0.559 25181 1307 1 8 . 1 1 33 33 LYS H H 33 8.170 8.170 8.458 -0.288 25181 1308 1 8 . 1 1 34 34 GLY N N 34 105.462 105.462 107.597 -2.135 25181 1309 1 8 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.726 -0.266 25181 1310 1 8 . 1 1 34 34 GLY H H 34 7.886 7.886 8.428 -0.542 25181 1311 1 8 . 1 1 35 35 ARG N N 35 118.092 118.092 118.097 -0.005 25181 1312 1 8 . 1 1 35 35 ARG CA C 35 55.460 55.460 56.289 -0.829 25181 1313 1 8 . 1 1 35 35 ARG H H 35 7.702 7.702 8.514 -0.812 25181 1314 1 8 . 1 1 36 36 LEU N N 36 119.012 119.012 120.475 -1.463 25181 1315 1 8 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.026 0.374 25181 1316 1 8 . 1 1 36 36 LEU H H 36 7.676 7.676 7.830 -0.154 25181 1317 1 8 . 1 1 37 37 ALA N N 37 124.067 124.067 121.594 2.473 25181 1318 1 8 . 1 1 37 37 ALA CA C 37 50.140 50.140 51.048 -0.908 25181 1319 1 8 . 1 1 37 37 ALA H H 37 8.133 8.133 8.102 0.031 25181 1320 1 8 . 1 1 39 39 GLY N N 39 108.143 108.143 110.439 -2.296 25181 1321 1 8 . 1 1 39 39 GLY CA C 39 45.230 45.230 44.888 0.342 25181 1322 1 8 . 1 1 39 39 GLY H H 39 8.582 8.582 8.375 0.207 25181 1323 1 8 . 1 1 40 40 ALA N N 40 123.368 123.368 122.981 0.387 25181 1324 1 8 . 1 1 40 40 ALA CA C 40 52.500 52.500 54.297 -1.797 25181 1325 1 8 . 1 1 40 40 ALA H H 40 8.007 8.007 8.468 -0.461 25181 1326 1 8 . 1 1 41 41 ALA N N 41 121.434 121.434 120.470 0.964 25181 1327 1 8 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.178 -0.988 25181 1328 1 8 . 1 1 41 41 ALA H H 41 8.330 8.330 8.305 0.025 25181 1329 1 8 . 1 1 42 42 TYR N N 42 116.666 116.666 119.112 -2.446 25181 1330 1 8 . 1 1 42 42 TYR CA C 42 58.380 58.380 61.647 -3.267 25181 1331 1 8 . 1 1 42 42 TYR H H 42 7.939 7.939 8.005 -0.066 25181 1332 1 8 . 1 1 43 43 ALA N N 43 122.521 122.521 122.191 0.330 25181 1333 1 8 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.884 -1.734 25181 1334 1 8 . 1 1 43 43 ALA H H 43 8.029 8.029 7.718 0.311 25181 1335 1 8 . 1 1 44 44 PHE N N 44 116.483 116.483 119.555 -3.072 25181 1336 1 8 . 1 1 44 44 PHE CA C 44 58.790 58.790 60.949 -2.159 25181 1337 1 8 . 1 1 44 44 PHE H H 44 8.071 8.071 8.029 0.042 25181 1338 1 8 . 1 1 45 45 TYR N N 45 117.436 117.436 118.737 -1.301 25181 1339 1 8 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.114 -1.044 25181 1340 1 8 . 1 1 45 45 TYR H H 45 7.986 7.986 7.927 0.059 25181 1341 1 8 . 1 1 46 46 GLY N N 46 105.143 105.143 108.256 -3.113 25181 1342 1 8 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.658 -1.198 25181 1343 1 8 . 1 1 46 46 GLY H H 46 8.072 8.072 7.715 0.357 25181 1344 1 8 . 1 1 47 47 VAL N N 47 114.672 114.672 120.594 -5.922 25181 1345 1 8 . 1 1 47 47 VAL CA C 47 62.820 62.820 61.316 1.504 25181 1346 1 8 . 1 1 47 47 VAL H H 47 7.914 7.914 7.413 0.501 25181 1347 1 8 . 1 1 48 48 TRP N N 48 120.754 120.754 123.487 -2.733 25181 1348 1 8 . 1 1 48 48 TRP CA C 48 61.900 61.900 60.648 1.252 25181 1349 1 8 . 1 1 48 48 TRP H H 48 8.047 8.047 7.203 0.844 25181 1350 1 8 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.573 1.257 25181 1351 1 8 . 1 1 50 50 LEU N N 50 113.896 113.896 117.662 -3.766 25181 1352 1 8 . 1 1 50 50 LEU CA C 50 57.680 57.680 56.610 1.070 25181 1353 1 8 . 1 1 50 50 LEU H H 50 7.205 7.205 7.230 -0.025 25181 1354 1 8 . 1 1 51 51 LEU N N 51 117.594 117.594 120.955 -3.361 25181 1355 1 8 . 1 1 51 51 LEU CA C 51 57.620 57.620 58.010 -0.390 25181 1356 1 8 . 1 1 51 51 LEU H H 51 8.005 8.005 7.666 0.339 25181 1357 1 8 . 1 1 52 52 LEU N N 52 116.078 116.078 119.314 -3.236 25181 1358 1 8 . 1 1 52 52 LEU CA C 52 57.580 57.580 58.523 -0.942 25181 1359 1 8 . 1 1 52 52 LEU H H 52 7.992 7.992 7.532 0.460 25181 1360 1 8 . 1 1 53 53 LEU N N 53 117.006 117.006 118.031 -1.025 25181 1361 1 8 . 1 1 53 53 LEU CA C 53 56.750 56.750 57.885 -1.135 25181 1362 1 8 . 1 1 53 53 LEU H H 53 7.719 7.719 7.905 -0.186 25181 1363 1 8 . 1 1 54 54 LEU N N 54 116.037 116.037 120.294 -4.257 25181 1364 1 8 . 1 1 54 54 LEU CA C 54 57.500 57.500 58.057 -0.557 25181 1365 1 8 . 1 1 54 54 LEU H H 54 7.957 7.957 7.728 0.229 25181 1366 1 8 . 1 1 55 55 LEU N N 55 115.858 115.858 118.596 -2.738 25181 1367 1 8 . 1 1 55 55 LEU CA C 55 56.020 56.020 57.291 -1.271 25181 1368 1 8 . 1 1 55 55 LEU H H 55 7.882 7.882 8.150 -0.268 25181 1369 1 8 . 1 1 56 56 ALA N N 56 119.026 119.026 117.877 1.149 25181 1370 1 8 . 1 1 56 56 ALA CA C 56 51.990 51.990 53.571 -1.581 25181 1371 1 8 . 1 1 56 56 ALA H H 56 7.828 7.828 8.255 -0.427 25181 1372 1 8 . 1 1 57 57 LEU N N 57 118.319 118.319 118.260 0.059 25181 1373 1 8 . 1 1 57 57 LEU CA C 57 53.330 53.330 52.111 1.219 25181 1374 1 8 . 1 1 57 57 LEU H H 57 7.548 7.548 7.050 0.498 25181 1375 1 8 . 1 1 59 59 PRO CA C 59 63.610 63.610 64.999 -1.389 25181 1376 1 8 . 1 1 60 60 ARG N N 60 117.573 117.573 114.643 2.930 25181 1377 1 8 . 1 1 60 60 ARG CA C 60 56.110 56.110 56.103 0.007 25181 1378 1 8 . 1 1 60 60 ARG H H 60 8.170 8.170 8.184 -0.014 25181 1379 1 8 . 1 1 61 61 ALA N N 61 122.434 122.434 123.746 -1.312 25181 1380 1 8 . 1 1 61 61 ALA CA C 61 52.450 52.450 52.089 0.361 25181 1381 1 8 . 1 1 61 61 ALA H H 61 8.244 8.244 7.385 0.859 25181 1382 1 8 . 1 1 62 62 TYR N N 62 116.252 116.252 123.360 -7.108 25181 1383 1 8 . 1 1 62 62 TYR CA C 62 56.760 56.760 57.080 -0.320 25181 1384 1 8 . 1 1 62 62 TYR H H 62 7.796 7.796 7.445 0.351 25181 1385 1 9 . 1 1 2 2 LEU N N 2 121.238 121.238 122.522 -1.284 25181 1386 1 9 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.583 1.157 25181 1387 1 9 . 1 1 2 2 LEU H H 2 8.866 8.866 7.974 0.892 25181 1388 1 9 . 1 1 3 3 GLU N N 3 119.669 119.669 120.567 -0.898 25181 1389 1 9 . 1 1 3 3 GLU CA C 3 56.800 56.800 57.534 -0.734 25181 1390 1 9 . 1 1 3 3 GLU H H 3 8.812 8.812 8.819 -0.007 25181 1391 1 9 . 1 1 4 4 ASN N N 4 117.251 117.251 117.547 -0.296 25181 1392 1 9 . 1 1 4 4 ASN CA C 4 53.610 53.610 53.507 0.103 25181 1393 1 9 . 1 1 4 4 ASN H H 4 8.318 8.318 7.882 0.436 25181 1394 1 9 . 1 1 5 5 LEU N N 5 120.686 120.686 120.327 0.359 25181 1395 1 9 . 1 1 5 5 LEU CA C 5 55.880 55.880 56.558 -0.678 25181 1396 1 9 . 1 1 5 5 LEU H H 5 8.104 8.104 8.360 -0.256 25181 1397 1 9 . 1 1 6 6 VAL N N 6 118.674 118.674 120.535 -1.861 25181 1398 1 9 . 1 1 6 6 VAL CA C 6 63.560 63.560 66.772 -3.212 25181 1399 1 9 . 1 1 6 6 VAL H H 6 7.955 7.955 8.116 -0.161 25181 1400 1 9 . 1 1 7 7 VAL N N 7 120.217 120.217 117.976 2.241 25181 1401 1 9 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.905 -2.575 25181 1402 1 9 . 1 1 7 7 VAL H H 7 7.929 7.929 7.467 0.462 25181 1403 1 9 . 1 1 8 8 LEU N N 8 121.924 121.924 121.546 0.378 25181 1404 1 9 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.020 -2.510 25181 1405 1 9 . 1 1 8 8 LEU H H 8 8.060 8.060 7.802 0.258 25181 1406 1 9 . 1 1 9 9 ASN N N 9 118.024 118.024 117.867 0.157 25181 1407 1 9 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.700 -3.140 25181 1408 1 9 . 1 1 9 9 ASN H H 9 8.256 8.256 8.656 -0.400 25181 1409 1 9 . 1 1 10 10 ALA N N 10 123.164 123.164 121.598 1.566 25181 1410 1 9 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.750 -1.420 25181 1411 1 9 . 1 1 10 10 ALA H H 10 8.372 8.372 8.129 0.243 25181 1412 1 9 . 1 1 11 11 ALA N N 11 119.814 119.814 121.334 -1.520 25181 1413 1 9 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.668 -1.248 25181 1414 1 9 . 1 1 11 11 ALA H H 11 8.272 8.272 8.502 -0.230 25181 1415 1 9 . 1 1 12 12 SER N N 12 113.158 113.158 112.700 0.458 25181 1416 1 9 . 1 1 12 12 SER CA C 12 60.400 60.400 61.023 -0.622 25181 1417 1 9 . 1 1 12 12 SER H H 12 8.090 8.090 8.332 -0.242 25181 1418 1 9 . 1 1 13 13 VAL N N 13 119.626 119.626 114.196 5.430 25181 1419 1 9 . 1 1 13 13 VAL CA C 13 63.380 63.380 62.269 1.111 25181 1420 1 9 . 1 1 13 13 VAL H H 13 7.946 7.946 7.197 0.749 25181 1421 1 9 . 1 1 14 14 ALA N N 14 123.520 123.520 122.925 0.595 25181 1422 1 9 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.418 -1.268 25181 1423 1 9 . 1 1 14 14 ALA H H 14 8.189 8.189 8.048 0.141 25181 1424 1 9 . 1 1 15 15 GLY N N 15 106.080 106.080 104.980 1.100 25181 1425 1 9 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.195 0.035 25181 1426 1 9 . 1 1 15 15 GLY H H 15 8.290 8.290 7.917 0.373 25181 1427 1 9 . 1 1 16 16 ALA N N 16 123.019 123.019 126.681 -3.662 25181 1428 1 9 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.580 -1.300 25181 1429 1 9 . 1 1 16 16 ALA H H 16 8.343 8.343 8.628 -0.285 25181 1430 1 9 . 1 1 17 17 HIS N N 17 115.511 115.511 117.584 -2.073 25181 1431 1 9 . 1 1 17 17 HIS CA C 17 57.080 57.080 58.810 -1.730 25181 1432 1 9 . 1 1 17 17 HIS H H 17 8.626 8.626 8.839 -0.213 25181 1433 1 9 . 1 1 18 18 GLY N N 18 109.241 109.241 108.481 0.760 25181 1434 1 9 . 1 1 18 18 GLY CA C 18 46.480 46.480 47.162 -0.682 25181 1435 1 9 . 1 1 18 18 GLY H H 18 8.542 8.542 8.289 0.253 25181 1436 1 9 . 1 1 19 19 ILE N N 19 120.602 120.602 122.517 -1.915 25181 1437 1 9 . 1 1 19 19 ILE CA C 19 63.560 63.560 62.669 0.891 25181 1438 1 9 . 1 1 19 19 ILE H H 19 8.379 8.379 7.752 0.627 25181 1439 1 9 . 1 1 20 20 LEU N N 20 120.271 120.271 118.403 1.868 25181 1440 1 9 . 1 1 20 20 LEU CA C 20 58.100 58.100 57.663 0.438 25181 1441 1 9 . 1 1 20 20 LEU H H 20 8.447 8.447 7.550 0.897 25181 1442 1 9 . 1 1 21 21 SER N N 21 114.238 114.238 116.470 -2.232 25181 1443 1 9 . 1 1 21 21 SER CA C 21 62.360 62.360 61.545 0.815 25181 1444 1 9 . 1 1 21 21 SER H H 21 8.288 8.288 8.017 0.271 25181 1445 1 9 . 1 1 22 22 PHE N N 22 120.907 120.907 120.509 0.398 25181 1446 1 9 . 1 1 22 22 PHE CA C 22 61.670 61.670 60.506 1.164 25181 1447 1 9 . 1 1 22 22 PHE H H 22 8.199 8.199 8.286 -0.087 25181 1448 1 9 . 1 1 23 23 LEU N N 23 118.536 118.536 121.727 -3.191 25181 1449 1 9 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.030 -0.070 25181 1450 1 9 . 1 1 23 23 LEU H H 23 8.613 8.613 7.602 1.011 25181 1451 1 9 . 1 1 24 24 VAL N N 24 120.897 120.897 118.590 2.307 25181 1452 1 9 . 1 1 24 24 VAL CA C 24 66.990 66.990 64.564 2.426 25181 1453 1 9 . 1 1 24 24 VAL H H 24 8.651 8.651 7.614 1.037 25181 1454 1 9 . 1 1 25 25 PHE N N 25 119.495 119.495 119.428 0.067 25181 1455 1 9 . 1 1 25 25 PHE CA C 25 61.620 61.620 62.150 -0.530 25181 1456 1 9 . 1 1 25 25 PHE H H 25 8.372 8.372 7.615 0.757 25181 1457 1 9 . 1 1 26 26 PHE N N 26 117.500 117.500 118.522 -1.022 25181 1458 1 9 . 1 1 26 26 PHE CA C 26 61.480 61.480 61.392 0.088 25181 1459 1 9 . 1 1 26 26 PHE H H 26 8.990 8.990 7.547 1.443 25181 1460 1 9 . 1 1 27 27 SER N N 27 114.828 114.828 114.939 -0.111 25181 1461 1 9 . 1 1 27 27 SER CA C 27 62.680 62.680 61.977 0.702 25181 1462 1 9 . 1 1 27 27 SER H H 27 8.332 8.332 8.043 0.289 25181 1463 1 9 . 1 1 28 28 ALA N N 28 123.714 123.714 121.410 2.304 25181 1464 1 9 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.135 0.725 25181 1465 1 9 . 1 1 28 28 ALA H H 28 8.370 8.370 7.405 0.965 25181 1466 1 9 . 1 1 29 29 ALA N N 29 119.273 119.273 122.764 -3.491 25181 1467 1 9 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.724 -0.195 25181 1468 1 9 . 1 1 29 29 ALA H H 29 8.309 8.309 8.418 -0.109 25181 1469 1 9 . 1 1 30 30 TRP N N 30 118.586 118.586 118.275 0.311 25181 1470 1 9 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.526 -0.246 25181 1471 1 9 . 1 1 30 30 TRP H H 30 8.493 8.493 8.591 -0.098 25181 1472 1 9 . 1 1 31 31 TYR N N 31 119.618 119.618 118.597 1.021 25181 1473 1 9 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.863 -0.753 25181 1474 1 9 . 1 1 31 31 TYR H H 31 8.448 8.448 8.169 0.279 25181 1475 1 9 . 1 1 32 32 ILE N N 32 117.717 117.717 117.151 0.566 25181 1476 1 9 . 1 1 32 32 ILE CA C 32 64.120 64.120 64.064 0.057 25181 1477 1 9 . 1 1 32 32 ILE H H 32 8.398 8.398 7.477 0.921 25181 1478 1 9 . 1 1 33 33 LYS N N 33 119.439 119.439 120.237 -0.798 25181 1479 1 9 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.950 0.340 25181 1480 1 9 . 1 1 33 33 LYS H H 33 8.170 8.170 8.488 -0.318 25181 1481 1 9 . 1 1 34 34 GLY N N 34 105.462 105.462 105.867 -0.405 25181 1482 1 9 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.533 -0.073 25181 1483 1 9 . 1 1 34 34 GLY H H 34 7.886 7.886 7.740 0.146 25181 1484 1 9 . 1 1 35 35 ARG N N 35 118.092 118.092 121.315 -3.223 25181 1485 1 9 . 1 1 35 35 ARG CA C 35 55.460 55.460 55.548 -0.088 25181 1486 1 9 . 1 1 35 35 ARG H H 35 7.702 7.702 8.280 -0.578 25181 1487 1 9 . 1 1 36 36 LEU N N 36 119.012 119.012 122.876 -3.864 25181 1488 1 9 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.514 -0.114 25181 1489 1 9 . 1 1 36 36 LEU H H 36 7.676 7.676 7.741 -0.065 25181 1490 1 9 . 1 1 37 37 ALA N N 37 124.067 124.067 128.654 -4.587 25181 1491 1 9 . 1 1 37 37 ALA CA C 37 50.140 50.140 50.648 -0.508 25181 1492 1 9 . 1 1 37 37 ALA H H 37 8.133 8.133 7.785 0.348 25181 1493 1 9 . 1 1 39 39 GLY N N 39 108.143 108.143 110.823 -2.680 25181 1494 1 9 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.122 0.108 25181 1495 1 9 . 1 1 39 39 GLY H H 39 8.582 8.582 7.828 0.754 25181 1496 1 9 . 1 1 40 40 ALA N N 40 123.368 123.368 123.758 -0.390 25181 1497 1 9 . 1 1 40 40 ALA CA C 40 52.500 52.500 52.746 -0.246 25181 1498 1 9 . 1 1 40 40 ALA H H 40 8.007 8.007 8.384 -0.377 25181 1499 1 9 . 1 1 41 41 ALA N N 41 121.434 121.434 121.495 -0.061 25181 1500 1 9 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.098 -0.908 25181 1501 1 9 . 1 1 41 41 ALA H H 41 8.330 8.330 8.353 -0.023 25181 1502 1 9 . 1 1 42 42 TYR N N 42 116.666 116.666 119.255 -2.589 25181 1503 1 9 . 1 1 42 42 TYR CA C 42 58.380 58.380 61.231 -2.851 25181 1504 1 9 . 1 1 42 42 TYR H H 42 7.939 7.939 7.743 0.196 25181 1505 1 9 . 1 1 43 43 ALA N N 43 122.521 122.521 122.095 0.426 25181 1506 1 9 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.943 -1.793 25181 1507 1 9 . 1 1 43 43 ALA H H 43 8.029 8.029 7.964 0.065 25181 1508 1 9 . 1 1 44 44 PHE N N 44 116.483 116.483 117.808 -1.325 25181 1509 1 9 . 1 1 44 44 PHE CA C 44 58.790 58.790 61.535 -2.745 25181 1510 1 9 . 1 1 44 44 PHE H H 44 8.071 8.071 7.671 0.400 25181 1511 1 9 . 1 1 45 45 TYR N N 45 117.436 117.436 118.442 -1.006 25181 1512 1 9 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.069 -0.999 25181 1513 1 9 . 1 1 45 45 TYR H H 45 7.986 7.986 8.210 -0.224 25181 1514 1 9 . 1 1 46 46 GLY N N 46 105.143 105.143 110.026 -4.883 25181 1515 1 9 . 1 1 46 46 GLY CA C 46 45.460 45.460 47.217 -1.756 25181 1516 1 9 . 1 1 46 46 GLY H H 46 8.072 8.072 8.225 -0.153 25181 1517 1 9 . 1 1 47 47 VAL N N 47 114.672 114.672 114.011 0.661 25181 1518 1 9 . 1 1 47 47 VAL CA C 47 62.820 62.820 59.764 3.056 25181 1519 1 9 . 1 1 47 47 VAL H H 47 7.914 7.914 7.638 0.276 25181 1520 1 9 . 1 1 48 48 TRP N N 48 120.754 120.754 125.279 -4.525 25181 1521 1 9 . 1 1 48 48 TRP CA C 48 61.900 61.900 61.697 0.203 25181 1522 1 9 . 1 1 48 48 TRP H H 48 8.047 8.047 7.716 0.331 25181 1523 1 9 . 1 1 49 49 PRO CA C 49 65.830 65.830 65.493 0.337 25181 1524 1 9 . 1 1 50 50 LEU N N 50 113.896 113.896 116.545 -2.649 25181 1525 1 9 . 1 1 50 50 LEU CA C 50 57.680 57.680 57.059 0.621 25181 1526 1 9 . 1 1 50 50 LEU H H 50 7.205 7.205 7.353 -0.148 25181 1527 1 9 . 1 1 51 51 LEU N N 51 117.594 117.594 118.412 -0.818 25181 1528 1 9 . 1 1 51 51 LEU CA C 51 57.620 57.620 54.821 2.800 25181 1529 1 9 . 1 1 51 51 LEU H H 51 8.005 8.005 7.607 0.398 25181 1530 1 9 . 1 1 52 52 LEU N N 52 116.078 116.078 121.781 -5.703 25181 1531 1 9 . 1 1 52 52 LEU CA C 52 57.580 57.580 57.527 0.053 25181 1532 1 9 . 1 1 52 52 LEU H H 52 7.992 7.992 7.359 0.633 25181 1533 1 9 . 1 1 53 53 LEU N N 53 117.006 117.006 117.441 -0.435 25181 1534 1 9 . 1 1 53 53 LEU CA C 53 56.750 56.750 57.083 -0.333 25181 1535 1 9 . 1 1 53 53 LEU H H 53 7.719 7.719 8.173 -0.454 25181 1536 1 9 . 1 1 54 54 LEU N N 54 116.037 116.037 121.139 -5.102 25181 1537 1 9 . 1 1 54 54 LEU CA C 54 57.500 57.500 57.737 -0.237 25181 1538 1 9 . 1 1 54 54 LEU H H 54 7.957 7.957 7.344 0.613 25181 1539 1 9 . 1 1 55 55 LEU N N 55 115.858 115.858 118.814 -2.956 25181 1540 1 9 . 1 1 55 55 LEU CA C 55 56.020 56.020 57.993 -1.973 25181 1541 1 9 . 1 1 55 55 LEU H H 55 7.882 7.882 7.630 0.252 25181 1542 1 9 . 1 1 56 56 ALA N N 56 119.026 119.026 119.566 -0.540 25181 1543 1 9 . 1 1 56 56 ALA CA C 56 51.990 51.990 53.996 -2.006 25181 1544 1 9 . 1 1 56 56 ALA H H 56 7.828 7.828 7.573 0.255 25181 1545 1 9 . 1 1 57 57 LEU N N 57 118.319 118.319 118.195 0.124 25181 1546 1 9 . 1 1 57 57 LEU CA C 57 53.330 53.330 52.696 0.634 25181 1547 1 9 . 1 1 57 57 LEU H H 57 7.548 7.548 7.768 -0.220 25181 1548 1 9 . 1 1 59 59 PRO CA C 59 63.610 63.610 65.153 -1.543 25181 1549 1 9 . 1 1 60 60 ARG N N 60 117.573 117.573 116.682 0.891 25181 1550 1 9 . 1 1 60 60 ARG CA C 60 56.110 56.110 57.639 -1.529 25181 1551 1 9 . 1 1 60 60 ARG H H 60 8.170 8.170 8.467 -0.297 25181 1552 1 9 . 1 1 61 61 ALA N N 61 122.434 122.434 119.701 2.733 25181 1553 1 9 . 1 1 61 61 ALA CA C 61 52.450 52.450 50.979 1.471 25181 1554 1 9 . 1 1 61 61 ALA H H 61 8.244 8.244 7.680 0.564 25181 1555 1 9 . 1 1 62 62 TYR N N 62 116.252 116.252 112.988 3.264 25181 1556 1 9 . 1 1 62 62 TYR CA C 62 56.760 56.760 56.620 0.140 25181 1557 1 9 . 1 1 62 62 TYR H H 62 7.796 7.796 7.670 0.126 25181 1558 1 10 . 1 1 2 2 LEU N N 2 121.238 121.238 122.509 -1.271 25181 1559 1 10 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.405 1.335 25181 1560 1 10 . 1 1 2 2 LEU H H 2 8.866 8.866 7.928 0.938 25181 1561 1 10 . 1 1 3 3 GLU N N 3 119.669 119.669 123.574 -3.905 25181 1562 1 10 . 1 1 3 3 GLU CA C 3 56.800 56.800 56.135 0.665 25181 1563 1 10 . 1 1 3 3 GLU H H 3 8.812 8.812 8.513 0.299 25181 1564 1 10 . 1 1 4 4 ASN N N 4 117.251 117.251 116.861 0.390 25181 1565 1 10 . 1 1 4 4 ASN CA C 4 53.610 53.610 53.644 -0.034 25181 1566 1 10 . 1 1 4 4 ASN H H 4 8.318 8.318 8.490 -0.172 25181 1567 1 10 . 1 1 5 5 LEU N N 5 120.686 120.686 121.453 -0.767 25181 1568 1 10 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.780 -1.900 25181 1569 1 10 . 1 1 5 5 LEU H H 5 8.104 8.104 7.558 0.546 25181 1570 1 10 . 1 1 6 6 VAL N N 6 118.674 118.674 118.416 0.258 25181 1571 1 10 . 1 1 6 6 VAL CA C 6 63.560 63.560 66.293 -2.733 25181 1572 1 10 . 1 1 6 6 VAL H H 6 7.955 7.955 8.257 -0.302 25181 1573 1 10 . 1 1 7 7 VAL N N 7 120.217 120.217 117.307 2.910 25181 1574 1 10 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.510 -2.180 25181 1575 1 10 . 1 1 7 7 VAL H H 7 7.929 7.929 7.670 0.259 25181 1576 1 10 . 1 1 8 8 LEU N N 8 121.924 121.924 122.116 -0.192 25181 1577 1 10 . 1 1 8 8 LEU CA C 8 55.510 55.510 58.322 -2.812 25181 1578 1 10 . 1 1 8 8 LEU H H 8 8.060 8.060 8.834 -0.774 25181 1579 1 10 . 1 1 9 9 ASN N N 9 118.024 118.024 117.573 0.451 25181 1580 1 10 . 1 1 9 9 ASN CA C 9 53.560 53.560 55.885 -2.325 25181 1581 1 10 . 1 1 9 9 ASN H H 9 8.256 8.256 7.894 0.362 25181 1582 1 10 . 1 1 10 10 ALA N N 10 123.164 123.164 123.219 -0.055 25181 1583 1 10 . 1 1 10 10 ALA CA C 10 53.330 53.330 55.079 -1.749 25181 1584 1 10 . 1 1 10 10 ALA H H 10 8.372 8.372 8.560 -0.188 25181 1585 1 10 . 1 1 11 11 ALA N N 11 119.814 119.814 121.039 -1.225 25181 1586 1 10 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.972 -1.552 25181 1587 1 10 . 1 1 11 11 ALA H H 11 8.272 8.272 8.448 -0.176 25181 1588 1 10 . 1 1 12 12 SER N N 12 113.158 113.158 114.552 -1.394 25181 1589 1 10 . 1 1 12 12 SER CA C 12 60.400 60.400 61.090 -0.690 25181 1590 1 10 . 1 1 12 12 SER H H 12 8.090 8.090 7.814 0.276 25181 1591 1 10 . 1 1 13 13 VAL N N 13 119.626 119.626 120.104 -0.478 25181 1592 1 10 . 1 1 13 13 VAL CA C 13 63.380 63.380 65.330 -1.950 25181 1593 1 10 . 1 1 13 13 VAL H H 13 7.946 7.946 7.968 -0.022 25181 1594 1 10 . 1 1 14 14 ALA N N 14 123.520 123.520 120.692 2.828 25181 1595 1 10 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.409 -1.259 25181 1596 1 10 . 1 1 14 14 ALA H H 14 8.189 8.189 8.499 -0.310 25181 1597 1 10 . 1 1 15 15 GLY N N 15 106.080 106.080 105.346 0.734 25181 1598 1 10 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.483 -0.253 25181 1599 1 10 . 1 1 15 15 GLY H H 15 8.290 8.290 8.215 0.075 25181 1600 1 10 . 1 1 16 16 ALA N N 16 123.019 123.019 124.815 -1.796 25181 1601 1 10 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.206 -0.926 25181 1602 1 10 . 1 1 16 16 ALA H H 16 8.343 8.343 8.421 -0.078 25181 1603 1 10 . 1 1 17 17 HIS N N 17 115.511 115.511 116.400 -0.889 25181 1604 1 10 . 1 1 17 17 HIS CA C 17 57.080 57.080 55.723 1.357 25181 1605 1 10 . 1 1 17 17 HIS H H 17 8.626 8.626 8.616 0.010 25181 1606 1 10 . 1 1 18 18 GLY N N 18 109.241 109.241 109.523 -0.282 25181 1607 1 10 . 1 1 18 18 GLY CA C 18 46.480 46.480 47.397 -0.916 25181 1608 1 10 . 1 1 18 18 GLY H H 18 8.542 8.542 8.037 0.505 25181 1609 1 10 . 1 1 19 19 ILE N N 19 120.602 120.602 121.835 -1.233 25181 1610 1 10 . 1 1 19 19 ILE CA C 19 63.560 63.560 62.847 0.713 25181 1611 1 10 . 1 1 19 19 ILE H H 19 8.379 8.379 7.835 0.544 25181 1612 1 10 . 1 1 20 20 LEU N N 20 120.271 120.271 119.490 0.781 25181 1613 1 10 . 1 1 20 20 LEU CA C 20 58.100 58.100 58.260 -0.160 25181 1614 1 10 . 1 1 20 20 LEU H H 20 8.447 8.447 8.093 0.354 25181 1615 1 10 . 1 1 21 21 SER N N 21 114.238 114.238 116.010 -1.772 25181 1616 1 10 . 1 1 21 21 SER CA C 21 62.360 62.360 61.469 0.891 25181 1617 1 10 . 1 1 21 21 SER H H 21 8.288 8.288 8.669 -0.381 25181 1618 1 10 . 1 1 22 22 PHE N N 22 120.907 120.907 121.671 -0.764 25181 1619 1 10 . 1 1 22 22 PHE CA C 22 61.670 61.670 61.228 0.442 25181 1620 1 10 . 1 1 22 22 PHE H H 22 8.199 8.199 8.449 -0.250 25181 1621 1 10 . 1 1 23 23 LEU N N 23 118.536 118.536 120.687 -2.151 25181 1622 1 10 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.769 -0.809 25181 1623 1 10 . 1 1 23 23 LEU H H 23 8.613 8.613 8.016 0.597 25181 1624 1 10 . 1 1 24 24 VAL N N 24 120.897 120.897 118.219 2.678 25181 1625 1 10 . 1 1 24 24 VAL CA C 24 66.990 66.990 65.021 1.969 25181 1626 1 10 . 1 1 24 24 VAL H H 24 8.651 8.651 7.312 1.339 25181 1627 1 10 . 1 1 25 25 PHE N N 25 119.495 119.495 120.538 -1.043 25181 1628 1 10 . 1 1 25 25 PHE CA C 25 61.620 61.620 61.996 -0.376 25181 1629 1 10 . 1 1 25 25 PHE H H 25 8.372 8.372 7.375 0.997 25181 1630 1 10 . 1 1 26 26 PHE N N 26 117.500 117.500 118.216 -0.716 25181 1631 1 10 . 1 1 26 26 PHE CA C 26 61.480 61.480 61.674 -0.194 25181 1632 1 10 . 1 1 26 26 PHE H H 26 8.990 8.990 8.696 0.294 25181 1633 1 10 . 1 1 27 27 SER N N 27 114.828 114.828 114.826 0.002 25181 1634 1 10 . 1 1 27 27 SER CA C 27 62.680 62.680 61.553 1.127 25181 1635 1 10 . 1 1 27 27 SER H H 27 8.332 8.332 7.386 0.946 25181 1636 1 10 . 1 1 28 28 ALA N N 28 123.714 123.714 124.022 -0.308 25181 1637 1 10 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.740 0.120 25181 1638 1 10 . 1 1 28 28 ALA H H 28 8.370 8.370 7.550 0.820 25181 1639 1 10 . 1 1 29 29 ALA N N 29 119.273 119.273 121.029 -1.756 25181 1640 1 10 . 1 1 29 29 ALA CA C 29 54.530 54.530 55.467 -0.937 25181 1641 1 10 . 1 1 29 29 ALA H H 29 8.309 8.309 7.640 0.669 25181 1642 1 10 . 1 1 30 30 TRP N N 30 118.586 118.586 117.936 0.650 25181 1643 1 10 . 1 1 30 30 TRP CA C 30 60.280 60.280 58.063 2.217 25181 1644 1 10 . 1 1 30 30 TRP H H 30 8.493 8.493 7.232 1.261 25181 1645 1 10 . 1 1 31 31 TYR N N 31 119.618 119.618 122.641 -3.023 25181 1646 1 10 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.916 -0.806 25181 1647 1 10 . 1 1 31 31 TYR H H 31 8.448 8.448 7.764 0.684 25181 1648 1 10 . 1 1 32 32 ILE N N 32 117.717 117.717 118.039 -0.322 25181 1649 1 10 . 1 1 32 32 ILE CA C 32 64.120 64.120 63.601 0.519 25181 1650 1 10 . 1 1 32 32 ILE H H 32 8.398 8.398 8.653 -0.255 25181 1651 1 10 . 1 1 33 33 LYS N N 33 119.439 119.439 118.992 0.447 25181 1652 1 10 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.732 0.558 25181 1653 1 10 . 1 1 33 33 LYS H H 33 8.170 8.170 7.937 0.233 25181 1654 1 10 . 1 1 34 34 GLY N N 34 105.462 105.462 104.763 0.699 25181 1655 1 10 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.238 0.222 25181 1656 1 10 . 1 1 34 34 GLY H H 34 7.886 7.886 8.521 -0.635 25181 1657 1 10 . 1 1 35 35 ARG N N 35 118.092 118.092 121.749 -3.657 25181 1658 1 10 . 1 1 35 35 ARG CA C 35 55.460 55.460 56.983 -1.523 25181 1659 1 10 . 1 1 35 35 ARG H H 35 7.702 7.702 7.966 -0.264 25181 1660 1 10 . 1 1 36 36 LEU N N 36 119.012 119.012 115.472 3.540 25181 1661 1 10 . 1 1 36 36 LEU CA C 36 54.400 54.400 55.500 -1.100 25181 1662 1 10 . 1 1 36 36 LEU H H 36 7.676 7.676 7.503 0.173 25181 1663 1 10 . 1 1 37 37 ALA N N 37 124.067 124.067 122.517 1.550 25181 1664 1 10 . 1 1 37 37 ALA CA C 37 50.140 50.140 51.408 -1.268 25181 1665 1 10 . 1 1 37 37 ALA H H 37 8.133 8.133 7.247 0.886 25181 1666 1 10 . 1 1 39 39 GLY N N 39 108.143 108.143 111.478 -3.335 25181 1667 1 10 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.708 -0.478 25181 1668 1 10 . 1 1 39 39 GLY H H 39 8.582 8.582 8.402 0.180 25181 1669 1 10 . 1 1 40 40 ALA N N 40 123.368 123.368 124.949 -1.581 25181 1670 1 10 . 1 1 40 40 ALA CA C 40 52.500 52.500 52.663 -0.162 25181 1671 1 10 . 1 1 40 40 ALA H H 40 8.007 8.007 8.643 -0.636 25181 1672 1 10 . 1 1 41 41 ALA N N 41 121.434 121.434 121.997 -0.563 25181 1673 1 10 . 1 1 41 41 ALA CA C 41 53.190 53.190 54.272 -1.082 25181 1674 1 10 . 1 1 41 41 ALA H H 41 8.330 8.330 8.523 -0.193 25181 1675 1 10 . 1 1 42 42 TYR N N 42 116.666 116.666 119.713 -3.047 25181 1676 1 10 . 1 1 42 42 TYR CA C 42 58.380 58.380 61.400 -3.020 25181 1677 1 10 . 1 1 42 42 TYR H H 42 7.939 7.939 7.948 -0.009 25181 1678 1 10 . 1 1 43 43 ALA N N 43 122.521 122.521 121.826 0.695 25181 1679 1 10 . 1 1 43 43 ALA CA C 43 53.150 53.150 55.246 -2.096 25181 1680 1 10 . 1 1 43 43 ALA H H 43 8.029 8.029 7.946 0.083 25181 1681 1 10 . 1 1 44 44 PHE N N 44 116.483 116.483 118.199 -1.716 25181 1682 1 10 . 1 1 44 44 PHE CA C 44 58.790 58.790 62.029 -3.239 25181 1683 1 10 . 1 1 44 44 PHE H H 44 8.071 8.071 7.861 0.210 25181 1684 1 10 . 1 1 45 45 TYR N N 45 117.436 117.436 118.167 -0.731 25181 1685 1 10 . 1 1 45 45 TYR CA C 45 59.070 59.070 61.264 -2.193 25181 1686 1 10 . 1 1 45 45 TYR H H 45 7.986 7.986 8.345 -0.359 25181 1687 1 10 . 1 1 46 46 GLY N N 46 105.143 105.143 106.339 -1.196 25181 1688 1 10 . 1 1 46 46 GLY CA C 46 45.460 45.460 45.815 -0.355 25181 1689 1 10 . 1 1 46 46 GLY H H 46 8.072 8.072 7.585 0.487 25181 1690 1 10 . 1 1 47 47 VAL N N 47 114.672 114.672 118.711 -4.039 25181 1691 1 10 . 1 1 47 47 VAL CA C 47 62.820 62.820 61.952 0.868 25181 1692 1 10 . 1 1 47 47 VAL H H 47 7.914 7.914 8.166 -0.252 25181 1693 1 10 . 1 1 48 48 TRP N N 48 120.754 120.754 127.562 -6.808 25181 1694 1 10 . 1 1 48 48 TRP CA C 48 61.900 61.900 60.715 1.185 25181 1695 1 10 . 1 1 48 48 TRP H H 48 8.047 8.047 8.848 -0.801 25181 1696 1 10 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.727 1.103 25181 1697 1 10 . 1 1 50 50 LEU N N 50 113.896 113.896 120.083 -6.187 25181 1698 1 10 . 1 1 50 50 LEU CA C 50 57.680 57.680 57.800 -0.120 25181 1699 1 10 . 1 1 50 50 LEU H H 50 7.205 7.205 7.356 -0.151 25181 1700 1 10 . 1 1 51 51 LEU N N 51 117.594 117.594 117.842 -0.248 25181 1701 1 10 . 1 1 51 51 LEU CA C 51 57.620 57.620 56.594 1.026 25181 1702 1 10 . 1 1 51 51 LEU H H 51 8.005 8.005 7.572 0.433 25181 1703 1 10 . 1 1 52 52 LEU N N 52 116.078 116.078 121.785 -5.707 25181 1704 1 10 . 1 1 52 52 LEU CA C 52 57.580 57.580 58.279 -0.699 25181 1705 1 10 . 1 1 52 52 LEU H H 52 7.992 7.992 7.351 0.641 25181 1706 1 10 . 1 1 53 53 LEU N N 53 117.006 117.006 117.603 -0.597 25181 1707 1 10 . 1 1 53 53 LEU CA C 53 56.750 56.750 57.684 -0.934 25181 1708 1 10 . 1 1 53 53 LEU H H 53 7.719 7.719 7.563 0.156 25181 1709 1 10 . 1 1 54 54 LEU N N 54 116.037 116.037 120.424 -4.387 25181 1710 1 10 . 1 1 54 54 LEU CA C 54 57.500 57.500 57.527 -0.027 25181 1711 1 10 . 1 1 54 54 LEU H H 54 7.957 7.957 7.559 0.398 25181 1712 1 10 . 1 1 55 55 LEU N N 55 115.858 115.858 118.906 -3.048 25181 1713 1 10 . 1 1 55 55 LEU CA C 55 56.020 56.020 56.801 -0.781 25181 1714 1 10 . 1 1 55 55 LEU H H 55 7.882 7.882 7.800 0.082 25181 1715 1 10 . 1 1 56 56 ALA N N 56 119.026 119.026 118.616 0.410 25181 1716 1 10 . 1 1 56 56 ALA CA C 56 51.990 51.990 54.498 -2.508 25181 1717 1 10 . 1 1 56 56 ALA H H 56 7.828 7.828 7.735 0.093 25181 1718 1 10 . 1 1 57 57 LEU N N 57 118.319 118.319 109.871 8.448 25181 1719 1 10 . 1 1 57 57 LEU CA C 57 53.330 53.330 51.283 2.047 25181 1720 1 10 . 1 1 57 57 LEU H H 57 7.548 7.548 7.295 0.253 25181 1721 1 10 . 1 1 59 59 PRO CA C 59 63.610 63.610 64.777 -1.167 25181 1722 1 10 . 1 1 60 60 ARG N N 60 117.573 117.573 118.812 -1.239 25181 1723 1 10 . 1 1 60 60 ARG CA C 60 56.110 56.110 57.369 -1.259 25181 1724 1 10 . 1 1 60 60 ARG H H 60 8.170 8.170 8.371 -0.201 25181 1725 1 10 . 1 1 61 61 ALA N N 61 122.434 122.434 120.708 1.726 25181 1726 1 10 . 1 1 61 61 ALA CA C 61 52.450 52.450 51.918 0.532 25181 1727 1 10 . 1 1 61 61 ALA H H 61 8.244 8.244 7.920 0.324 25181 1728 1 10 . 1 1 62 62 TYR N N 62 116.252 116.252 113.993 2.259 25181 1729 1 10 . 1 1 62 62 TYR CA C 62 56.760 56.760 55.356 1.404 25181 1730 1 10 . 1 1 62 62 TYR H H 62 7.796 7.796 7.401 0.395 25181 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 57 2.433 0.674 2.358 25181 2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 25181 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25181 4 1 1 "Average Difference" CA 59 1.386 0.412 1.335 25181 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25181 6 1 1 "Average Difference" HN 57 0.520 -0.168 0.496 25181 7 1 2 "Average Difference" N 57 2.225 0.497 2.188 25181 8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 25181 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25181 10 1 2 "Average Difference" CA 59 1.339 0.382 1.295 25181 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25181 12 1 2 "Average Difference" HN 57 0.494 -0.239 0.437 25181 13 1 3 "Average Difference" N 57 2.668 1.039 2.479 25181 14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 25181 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25181 16 1 3 "Average Difference" CA 59 1.338 0.351 1.302 25181 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25181 18 1 3 "Average Difference" HN 57 0.512 -0.207 0.473 25181 19 1 4 "Average Difference" N 57 2.312 0.633 2.243 25181 20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 25181 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25181 22 1 4 "Average Difference" CA 59 1.329 0.451 1.261 25181 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25181 24 1 4 "Average Difference" HN 57 0.544 -0.260 0.482 25181 25 1 5 "Average Difference" N 57 2.333 1.063 2.095 25181 26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 25181 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25181 28 1 5 "Average Difference" CA 59 1.277 0.426 1.214 25181 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25181 30 1 5 "Average Difference" HN 57 0.440 -0.214 0.388 25181 31 1 6 "Average Difference" N 57 2.285 0.675 2.203 25181 32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 25181 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25181 34 1 6 "Average Difference" CA 59 1.393 0.541 1.295 25181 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25181 36 1 6 "Average Difference" HN 57 0.488 -0.197 0.451 25181 37 1 7 "Average Difference" N 57 2.092 0.708 1.986 25181 38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 25181 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25181 40 1 7 "Average Difference" CA 59 1.265 0.384 1.216 25181 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25181 42 1 7 "Average Difference" HN 57 0.399 -0.183 0.357 25181 43 1 8 "Average Difference" N 57 2.377 0.995 2.178 25181 44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 25181 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25181 46 1 8 "Average Difference" CA 59 1.312 0.451 1.243 25181 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25181 48 1 8 "Average Difference" HN 57 0.570 -0.304 0.486 25181 49 1 9 "Average Difference" N 57 2.357 0.739 2.258 25181 50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 25181 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25181 52 1 9 "Average Difference" CA 59 1.400 0.392 1.356 25181 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25181 54 1 9 "Average Difference" HN 57 0.498 -0.223 0.449 25181 55 1 10 "Average Difference" N 57 2.568 0.736 2.482 25181 56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 25181 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25181 58 1 10 "Average Difference" CA 59 1.417 0.479 1.345 25181 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25181 60 1 10 "Average Difference" HN 57 0.510 -0.182 0.480 25181 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 25181 _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 LEU N N 2 121.238 121.238 122.028 -0.790 25181 2 1 . 1 1 2 2 LEU CA C 2 55.740 55.740 54.952 0.788 25181 3 1 . 1 1 2 2 LEU H H 2 8.866 8.866 8.094 0.772 25181 4 1 . 1 1 3 3 GLU N N 3 119.669 119.669 120.662 -0.993 25181 5 1 . 1 1 3 3 GLU CA C 3 56.800 56.800 56.923 -0.123 25181 6 1 . 1 1 3 3 GLU H H 3 8.812 8.812 8.468 0.344 25181 7 1 . 1 1 4 4 ASN N N 4 117.251 117.251 117.272 -0.021 25181 8 1 . 1 1 4 4 ASN CA C 4 53.610 53.610 54.383 -0.773 25181 9 1 . 1 1 4 4 ASN H H 4 8.318 8.318 8.287 0.031 25181 10 1 . 1 1 5 5 LEU N N 5 120.686 120.686 120.588 0.098 25181 11 1 . 1 1 5 5 LEU CA C 5 55.880 55.880 57.337 -1.457 25181 12 1 . 1 1 5 5 LEU H H 5 8.104 8.104 8.047 0.057 25181 13 1 . 1 1 6 6 VAL N N 6 118.674 118.674 118.970 -0.296 25181 14 1 . 1 1 6 6 VAL CA C 6 63.560 63.560 65.998 -2.438 25181 15 1 . 1 1 6 6 VAL H H 6 7.955 7.955 7.759 0.196 25181 16 1 . 1 1 7 7 VAL N N 7 120.217 120.217 118.432 1.785 25181 17 1 . 1 1 7 7 VAL CA C 7 63.330 63.330 65.532 -2.202 25181 18 1 . 1 1 7 7 VAL H H 7 7.929 7.929 7.601 0.328 25181 19 1 . 1 1 8 8 LEU N N 8 121.924 121.924 120.906 1.018 25181 20 1 . 1 1 8 8 LEU CA C 8 55.510 55.510 57.928 -2.418 25181 21 1 . 1 1 8 8 LEU H H 8 8.060 8.060 8.187 -0.127 25181 22 1 . 1 1 9 9 ASN N N 9 118.024 118.024 117.267 0.757 25181 23 1 . 1 1 9 9 ASN CA C 9 53.560 53.560 56.267 -2.707 25181 24 1 . 1 1 9 9 ASN H H 9 8.256 8.256 8.094 0.162 25181 25 1 . 1 1 10 10 ALA N N 10 123.164 123.164 122.301 0.863 25181 26 1 . 1 1 10 10 ALA CA C 10 53.330 53.330 54.703 -1.373 25181 27 1 . 1 1 10 10 ALA H H 10 8.372 8.372 8.094 0.278 25181 28 1 . 1 1 11 11 ALA N N 11 119.814 119.814 121.179 -1.365 25181 29 1 . 1 1 11 11 ALA CA C 11 53.420 53.420 54.950 -1.530 25181 30 1 . 1 1 11 11 ALA H H 11 8.272 8.272 8.351 -0.079 25181 31 1 . 1 1 12 12 SER N N 12 113.158 113.158 113.956 -0.798 25181 32 1 . 1 1 12 12 SER CA C 12 60.400 60.400 61.389 -0.989 25181 33 1 . 1 1 12 12 SER H H 12 8.090 8.090 7.812 0.278 25181 34 1 . 1 1 13 13 VAL N N 13 119.626 119.626 119.836 -0.210 25181 35 1 . 1 1 13 13 VAL CA C 13 63.380 63.380 64.235 -0.855 25181 36 1 . 1 1 13 13 VAL H H 13 7.946 7.946 7.722 0.224 25181 37 1 . 1 1 14 14 ALA N N 14 123.520 123.520 120.907 2.613 25181 38 1 . 1 1 14 14 ALA CA C 14 53.150 53.150 54.099 -0.949 25181 39 1 . 1 1 14 14 ALA H H 14 8.189 8.189 8.182 0.007 25181 40 1 . 1 1 15 15 GLY N N 15 106.080 106.080 104.856 1.224 25181 41 1 . 1 1 15 15 GLY CA C 15 45.230 45.230 45.199 0.031 25181 42 1 . 1 1 15 15 GLY H H 15 8.290 8.290 8.087 0.204 25181 43 1 . 1 1 16 16 ALA N N 16 123.019 123.019 124.810 -1.791 25181 44 1 . 1 1 16 16 ALA CA C 16 53.280 53.280 54.356 -1.077 25181 45 1 . 1 1 16 16 ALA H H 16 8.343 8.343 8.324 0.019 25181 46 1 . 1 1 17 17 HIS N N 17 115.511 115.511 117.435 -1.924 25181 47 1 . 1 1 17 17 HIS CA C 17 57.080 57.080 57.464 -0.384 25181 48 1 . 1 1 17 17 HIS H H 17 8.626 8.626 8.531 0.095 25181 49 1 . 1 1 18 18 GLY N N 18 109.241 109.241 108.413 0.828 25181 50 1 . 1 1 18 18 GLY CA C 18 46.480 46.480 46.661 -0.181 25181 51 1 . 1 1 18 18 GLY H H 18 8.542 8.542 7.913 0.629 25181 52 1 . 1 1 19 19 ILE N N 19 120.602 120.602 121.545 -0.943 25181 53 1 . 1 1 19 19 ILE CA C 19 63.560 63.560 63.564 -0.004 25181 54 1 . 1 1 19 19 ILE H H 19 8.379 8.379 7.795 0.584 25181 55 1 . 1 1 20 20 LEU N N 20 120.271 120.271 119.521 0.750 25181 56 1 . 1 1 20 20 LEU CA C 20 58.100 58.100 57.771 0.329 25181 57 1 . 1 1 20 20 LEU H H 20 8.447 8.447 7.824 0.623 25181 58 1 . 1 1 21 21 SER N N 21 114.238 114.238 115.776 -1.538 25181 59 1 . 1 1 21 21 SER CA C 21 62.360 62.360 61.676 0.684 25181 60 1 . 1 1 21 21 SER H H 21 8.288 8.288 8.043 0.245 25181 61 1 . 1 1 22 22 PHE N N 22 120.907 120.907 121.255 -0.348 25181 62 1 . 1 1 22 22 PHE CA C 22 61.670 61.670 60.868 0.802 25181 63 1 . 1 1 22 22 PHE H H 22 8.199 8.199 7.886 0.313 25181 64 1 . 1 1 23 23 LEU N N 23 118.536 118.536 121.258 -2.722 25181 65 1 . 1 1 23 23 LEU CA C 23 57.960 57.960 58.420 -0.460 25181 66 1 . 1 1 23 23 LEU H H 23 8.613 8.613 7.893 0.720 25181 67 1 . 1 1 24 24 VAL N N 24 120.897 120.897 118.041 2.856 25181 68 1 . 1 1 24 24 VAL CA C 24 66.990 66.990 65.825 1.165 25181 69 1 . 1 1 24 24 VAL H H 24 8.651 8.651 7.586 1.065 25181 70 1 . 1 1 25 25 PHE N N 25 119.495 119.495 120.942 -1.447 25181 71 1 . 1 1 25 25 PHE CA C 25 61.620 61.620 61.812 -0.192 25181 72 1 . 1 1 25 25 PHE H H 25 8.372 8.372 7.776 0.596 25181 73 1 . 1 1 26 26 PHE N N 26 117.500 117.500 119.272 -1.772 25181 74 1 . 1 1 26 26 PHE CA C 26 61.480 61.480 61.852 -0.372 25181 75 1 . 1 1 26 26 PHE H H 26 8.990 8.990 8.760 0.230 25181 76 1 . 1 1 27 27 SER N N 27 114.828 114.828 115.480 -0.652 25181 77 1 . 1 1 27 27 SER CA C 27 62.680 62.680 61.879 0.801 25181 78 1 . 1 1 27 27 SER H H 27 8.332 8.332 8.134 0.198 25181 79 1 . 1 1 28 28 ALA N N 28 123.714 123.714 122.788 0.926 25181 80 1 . 1 1 28 28 ALA CA C 28 54.860 54.860 54.286 0.574 25181 81 1 . 1 1 28 28 ALA H H 28 8.370 8.370 7.540 0.830 25181 82 1 . 1 1 29 29 ALA N N 29 119.273 119.273 121.876 -2.604 25181 83 1 . 1 1 29 29 ALA CA C 29 54.530 54.530 54.713 -0.183 25181 84 1 . 1 1 29 29 ALA H H 29 8.309 8.309 7.788 0.521 25181 85 1 . 1 1 30 30 TRP N N 30 118.586 118.586 118.803 -0.218 25181 86 1 . 1 1 30 30 TRP CA C 30 60.280 60.280 60.354 -0.075 25181 87 1 . 1 1 30 30 TRP H H 30 8.493 8.493 8.322 0.172 25181 88 1 . 1 1 31 31 TYR N N 31 119.618 119.618 119.298 0.320 25181 89 1 . 1 1 31 31 TYR CA C 31 61.110 61.110 61.123 -0.013 25181 90 1 . 1 1 31 31 TYR H H 31 8.448 8.448 7.737 0.711 25181 91 1 . 1 1 32 32 ILE N N 32 117.717 117.717 118.516 -0.800 25181 92 1 . 1 1 32 32 ILE CA C 32 64.120 64.120 63.746 0.374 25181 93 1 . 1 1 32 32 ILE H H 32 8.398 8.398 7.945 0.453 25181 94 1 . 1 1 33 33 LYS N N 33 119.439 119.439 119.128 0.311 25181 95 1 . 1 1 33 33 LYS CA C 33 58.290 58.290 57.745 0.545 25181 96 1 . 1 1 33 33 LYS H H 33 8.170 8.170 8.052 0.118 25181 97 1 . 1 1 34 34 GLY N N 34 105.462 105.462 106.321 -0.859 25181 98 1 . 1 1 34 34 GLY CA C 34 45.460 45.460 45.376 0.084 25181 99 1 . 1 1 34 34 GLY H H 34 7.886 7.886 8.044 -0.159 25181 100 1 . 1 1 35 35 ARG N N 35 118.092 118.092 119.747 -1.655 25181 101 1 . 1 1 35 35 ARG CA C 35 55.460 55.460 56.156 -0.696 25181 102 1 . 1 1 35 35 ARG H H 35 7.702 7.702 8.176 -0.474 25181 103 1 . 1 1 36 36 LEU N N 36 119.012 119.012 120.785 -1.773 25181 104 1 . 1 1 36 36 LEU CA C 36 54.400 54.400 54.636 -0.236 25181 105 1 . 1 1 36 36 LEU H H 36 7.676 7.676 7.844 -0.168 25181 106 1 . 1 1 37 37 ALA N N 37 124.067 124.067 125.096 -1.029 25181 107 1 . 1 1 37 37 ALA CA C 37 50.140 50.140 50.930 -0.790 25181 108 1 . 1 1 37 37 ALA H H 37 8.133 8.133 8.016 0.117 25181 109 1 . 1 1 39 39 GLY N N 39 108.143 108.143 110.094 -1.951 25181 110 1 . 1 1 39 39 GLY CA C 39 45.230 45.230 45.411 -0.181 25181 111 1 . 1 1 39 39 GLY H H 39 8.582 8.582 8.349 0.233 25181 112 1 . 1 1 40 40 ALA N N 40 123.368 123.368 125.692 -2.325 25181 113 1 . 1 1 40 40 ALA CA C 40 52.500 52.500 53.754 -1.253 25181 114 1 . 1 1 40 40 ALA H H 40 8.007 8.007 8.354 -0.347 25181 115 1 . 1 1 41 41 ALA N N 41 121.434 121.434 120.823 0.612 25181 116 1 . 1 1 41 41 ALA CA C 41 53.190 53.190 53.904 -0.714 25181 117 1 . 1 1 41 41 ALA H H 41 8.330 8.330 8.195 0.135 25181 118 1 . 1 1 42 42 TYR N N 42 116.666 116.666 119.268 -2.602 25181 119 1 . 1 1 42 42 TYR CA C 42 58.380 58.380 61.089 -2.709 25181 120 1 . 1 1 42 42 TYR H H 42 7.939 7.939 7.969 -0.029 25181 121 1 . 1 1 43 43 ALA N N 43 122.521 122.521 121.782 0.739 25181 122 1 . 1 1 43 43 ALA CA C 43 53.150 53.150 54.665 -1.515 25181 123 1 . 1 1 43 43 ALA H H 43 8.029 8.029 7.838 0.191 25181 124 1 . 1 1 44 44 PHE N N 44 116.483 116.483 118.398 -1.915 25181 125 1 . 1 1 44 44 PHE CA C 44 58.790 58.790 60.894 -2.104 25181 126 1 . 1 1 44 44 PHE H H 44 8.071 8.071 8.085 -0.014 25181 127 1 . 1 1 45 45 TYR N N 45 117.436 117.436 118.460 -1.024 25181 128 1 . 1 1 45 45 TYR CA C 45 59.070 59.070 60.270 -1.200 25181 129 1 . 1 1 45 45 TYR H H 45 7.986 7.986 8.029 -0.043 25181 130 1 . 1 1 46 46 GLY N N 46 105.143 105.143 106.498 -1.356 25181 131 1 . 1 1 46 46 GLY CA C 46 45.460 45.460 46.162 -0.702 25181 132 1 . 1 1 46 46 GLY H H 46 8.072 8.072 7.857 0.215 25181 133 1 . 1 1 47 47 VAL N N 47 114.672 114.672 116.852 -2.180 25181 134 1 . 1 1 47 47 VAL CA C 47 62.820 62.820 60.750 2.070 25181 135 1 . 1 1 47 47 VAL H H 47 7.914 7.914 7.613 0.301 25181 136 1 . 1 1 48 48 TRP N N 48 120.754 120.754 125.282 -4.528 25181 137 1 . 1 1 48 48 TRP CA C 48 61.900 61.900 60.981 0.919 25181 138 1 . 1 1 48 48 TRP H H 48 8.047 8.047 7.889 0.158 25181 139 1 . 1 1 49 49 PRO CA C 49 65.830 65.830 64.844 0.986 25181 140 1 . 1 1 50 50 LEU N N 50 113.896 113.896 118.410 -4.514 25181 141 1 . 1 1 50 50 LEU CA C 50 57.680 57.680 56.937 0.743 25181 142 1 . 1 1 50 50 LEU H H 50 7.205 7.205 7.501 -0.296 25181 143 1 . 1 1 51 51 LEU N N 51 117.594 117.594 119.333 -1.739 25181 144 1 . 1 1 51 51 LEU CA C 51 57.620 57.620 56.905 0.715 25181 145 1 . 1 1 51 51 LEU H H 51 8.005 8.005 7.649 0.356 25181 146 1 . 1 1 52 52 LEU N N 52 116.078 116.078 119.758 -3.679 25181 147 1 . 1 1 52 52 LEU CA C 52 57.580 57.580 57.530 0.050 25181 148 1 . 1 1 52 52 LEU H H 52 7.992 7.992 7.528 0.464 25181 149 1 . 1 1 53 53 LEU N N 53 117.006 117.006 118.701 -1.695 25181 150 1 . 1 1 53 53 LEU CA C 53 56.750 56.750 57.634 -0.884 25181 151 1 . 1 1 53 53 LEU H H 53 7.719 7.719 7.623 0.096 25181 152 1 . 1 1 54 54 LEU N N 54 116.037 116.037 118.985 -2.948 25181 153 1 . 1 1 54 54 LEU CA C 54 57.500 57.500 57.569 -0.069 25181 154 1 . 1 1 54 54 LEU H H 54 7.957 7.957 7.579 0.378 25181 155 1 . 1 1 55 55 LEU N N 55 115.858 115.858 118.280 -2.422 25181 156 1 . 1 1 55 55 LEU CA C 55 56.020 56.020 56.919 -0.899 25181 157 1 . 1 1 55 55 LEU H H 55 7.882 7.882 7.625 0.256 25181 158 1 . 1 1 56 56 ALA N N 56 119.026 119.026 119.147 -0.121 25181 159 1 . 1 1 56 56 ALA CA C 56 51.990 51.990 53.740 -1.750 25181 160 1 . 1 1 56 56 ALA H H 56 7.828 7.828 7.849 -0.021 25181 161 1 . 1 1 57 57 LEU N N 57 118.319 118.319 116.930 1.389 25181 162 1 . 1 1 57 57 LEU CA C 57 53.330 53.330 51.668 1.662 25181 163 1 . 1 1 57 57 LEU H H 57 7.548 7.548 7.453 0.095 25181 164 1 . 1 1 59 59 PRO CA C 59 63.610 63.610 64.970 -1.360 25181 165 1 . 1 1 60 60 ARG N N 60 117.573 117.573 117.357 0.216 25181 166 1 . 1 1 60 60 ARG CA C 60 56.110 56.110 56.989 -0.879 25181 167 1 . 1 1 60 60 ARG H H 60 8.170 8.170 8.271 -0.100 25181 168 1 . 1 1 61 61 ALA N N 61 122.434 122.434 120.810 1.624 25181 169 1 . 1 1 61 61 ALA CA C 61 52.450 52.450 51.563 0.887 25181 170 1 . 1 1 61 61 ALA H H 61 8.244 8.244 7.769 0.475 25181 171 1 . 1 1 62 62 TYR N N 62 116.252 116.252 117.857 -1.605 25181 172 1 . 1 1 62 62 TYR CA C 62 56.760 56.760 57.465 -0.706 25181 173 1 . 1 1 62 62 TYR H H 62 7.796 7.796 8.005 -0.209 25181 stop_ save_