data_25758 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25758 _Entry.PDB_ID 2N6B 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 25758 _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 3 3 CYS HA H 3 4.750 4.750 4.729 0.021 25758 2 1 1 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.637 -2.637 25758 3 1 1 . 1 1 4 4 LYS N N 4 124.800 124.800 122.361 2.439 25758 4 1 1 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.603 -0.083 25758 5 1 1 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.139 -0.339 25758 6 1 1 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.134 -0.834 25758 7 1 1 . 1 1 5 5 ASP N N 5 120.600 120.600 118.064 2.536 25758 8 1 1 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.964 -0.004 25758 9 1 1 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.398 0.802 25758 10 1 1 . 1 1 6 6 TYR N N 6 120.400 120.400 121.558 -1.158 25758 11 1 1 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.545 0.125 25758 12 1 1 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.473 -1.273 25758 13 1 1 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.808 -0.708 25758 14 1 1 . 1 1 7 7 LEU N N 7 118.800 118.800 118.393 0.407 25758 15 1 1 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.867 -0.017 25758 16 1 1 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.451 0.349 25758 17 1 1 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.450 -0.950 25758 18 1 1 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.802 -0.322 25758 19 1 1 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.896 0.404 25758 20 1 1 . 1 1 9 9 LYS N N 9 122.700 122.700 119.463 3.237 25758 21 1 1 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.031 0.029 25758 22 1 1 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.279 3.421 25758 23 1 1 . 1 1 10 10 SER N N 10 111.000 111.000 111.065 -0.065 25758 24 1 1 . 1 1 10 10 SER HA H 10 4.030 4.030 4.450 -0.420 25758 25 1 1 . 1 1 10 10 SER CA C 10 59.300 59.300 59.799 -0.499 25758 26 1 1 . 1 1 10 10 SER CB C 10 62.100 62.100 63.155 -1.055 25758 27 1 1 . 1 1 11 11 GLU N N 11 117.800 117.800 120.694 -2.894 25758 28 1 1 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.551 -0.161 25758 29 1 1 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.927 0.173 25758 30 1 1 . 1 1 12 12 CYS N N 12 120.300 120.300 120.557 -0.257 25758 31 1 1 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.919 0.201 25758 32 1 1 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.502 -6.502 25758 33 1 1 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.756 10.744 25758 34 1 1 . 1 1 13 13 THR N N 13 109.800 109.800 117.357 -7.557 25758 35 1 1 . 1 1 13 13 THR HA H 13 4.490 4.490 4.841 -0.351 25758 36 1 1 . 1 1 13 13 THR CA C 13 59.000 59.000 60.456 -1.456 25758 37 1 1 . 1 1 13 13 THR CB C 13 70.900 70.900 71.730 -0.829 25758 38 1 1 . 1 1 14 14 GLN N N 14 120.800 120.800 123.388 -2.588 25758 39 1 1 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.296 -0.466 25758 40 1 1 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.955 -0.855 25758 41 1 1 . 1 1 15 15 PHE N N 15 118.300 118.300 118.921 -0.621 25758 42 1 1 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.192 -0.042 25758 43 1 1 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.442 -0.142 25758 44 1 1 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.587 0.613 25758 45 1 1 . 1 1 16 16 ARG N N 16 121.000 121.000 120.275 0.725 25758 46 1 1 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.882 -0.292 25758 47 1 1 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.887 0.713 25758 48 1 1 . 1 1 17 17 CYS N N 17 115.200 115.200 116.660 -1.460 25758 49 1 1 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.490 -0.290 25758 50 1 1 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.997 -4.497 25758 51 1 1 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.793 10.107 25758 52 1 1 . 1 1 18 18 ARG N N 18 114.500 114.500 118.759 -4.259 25758 53 1 1 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.141 -0.011 25758 54 1 1 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.877 -0.877 25758 55 1 1 . 1 1 19 19 THR N N 19 106.000 106.000 109.909 -3.909 25758 56 1 1 . 1 1 19 19 THR HA H 19 4.310 4.310 4.332 -0.022 25758 57 1 1 . 1 1 19 19 THR CA C 19 61.800 61.800 62.608 -0.809 25758 58 1 1 . 1 1 19 19 THR CB C 19 71.200 71.200 69.813 1.387 25758 59 1 1 . 1 1 20 20 SER N N 20 117.000 117.000 118.273 -1.273 25758 60 1 1 . 1 1 20 20 SER HA H 20 5.060 5.060 4.709 0.351 25758 61 1 1 . 1 1 20 20 SER CA C 20 56.100 56.100 58.050 -1.950 25758 62 1 1 . 1 1 20 20 SER CB C 20 63.200 63.200 64.176 -0.976 25758 63 1 1 . 1 1 21 21 MET N N 21 125.400 125.400 126.913 -1.513 25758 64 1 1 . 1 1 21 21 MET HA H 21 4.150 4.150 4.245 -0.095 25758 65 1 1 . 1 1 21 21 MET CA C 21 58.700 58.700 59.719 -1.019 25758 66 1 1 . 1 1 21 21 MET CB C 21 32.300 32.300 32.750 -0.450 25758 67 1 1 . 1 1 22 22 LYS N N 22 119.500 119.500 120.259 -0.759 25758 68 1 1 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.990 0.120 25758 69 1 1 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.159 0.041 25758 70 1 1 . 1 1 23 23 TYR N N 23 118.900 118.900 115.625 3.275 25758 71 1 1 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.352 -0.312 25758 72 1 1 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.360 -1.160 25758 73 1 1 . 1 1 24 24 ARG N N 24 117.400 117.400 119.565 -2.165 25758 74 1 1 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.472 -0.402 25758 75 1 1 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.857 1.143 25758 76 1 1 . 1 1 25 25 LEU N N 25 110.600 110.600 117.172 -6.572 25758 77 1 1 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.342 0.068 25758 78 1 1 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.419 0.381 25758 79 1 1 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.998 1.702 25758 80 1 1 . 1 1 26 26 ASN N N 26 113.400 113.400 116.506 -3.106 25758 81 1 1 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.419 0.681 25758 82 1 1 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.650 -0.550 25758 83 1 1 . 1 1 27 27 LEU N N 27 117.000 117.000 118.151 -1.151 25758 84 1 1 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.420 -0.020 25758 85 1 1 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.680 -0.580 25758 86 1 1 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.585 -0.085 25758 87 1 1 . 1 1 28 28 CYS N N 28 118.600 118.600 116.356 2.244 25758 88 1 1 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.773 0.687 25758 89 1 1 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.103 -3.503 25758 90 1 1 . 1 1 29 29 LYS N N 29 118.300 118.300 125.126 -6.826 25758 91 1 1 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.188 -0.368 25758 92 1 1 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.758 1.442 25758 93 1 1 . 1 1 30 30 LYS N N 30 116.900 116.900 120.413 -3.513 25758 94 1 1 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.184 -0.034 25758 95 1 1 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.893 -0.193 25758 96 1 1 . 1 1 31 31 THR N N 31 123.600 123.600 116.649 6.951 25758 97 1 1 . 1 1 31 31 THR HA H 31 3.800 3.800 4.003 -0.203 25758 98 1 1 . 1 1 31 31 THR CA C 31 68.400 68.400 66.507 1.893 25758 99 1 1 . 1 1 31 31 THR CB C 31 67.800 67.800 68.821 -1.021 25758 100 1 1 . 1 1 32 32 CYS N N 32 113.600 113.600 117.049 -3.449 25758 101 1 1 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.362 0.478 25758 102 1 1 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.948 -6.248 25758 103 1 1 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.552 8.948 25758 104 1 1 . 1 1 33 33 GLY N N 33 109.700 109.700 108.871 0.829 25758 105 1 1 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.063 0.637 25758 106 1 1 . 1 1 34 34 THR N N 34 113.800 113.800 112.702 1.098 25758 107 1 1 . 1 1 34 34 THR HA H 34 4.320 4.320 4.367 -0.047 25758 108 1 1 . 1 1 34 34 THR CA C 34 62.600 62.600 61.999 0.601 25758 109 1 1 . 1 1 34 34 THR CB C 34 68.100 68.100 70.032 -1.932 25758 110 1 2 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.775 -0.025 25758 111 1 2 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.590 -2.590 25758 112 1 2 . 1 1 4 4 LYS N N 4 124.800 124.800 123.685 1.115 25758 113 1 2 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.687 -0.167 25758 114 1 2 . 1 1 4 4 LYS CA C 4 54.800 54.800 54.930 -0.130 25758 115 1 2 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.924 -0.624 25758 116 1 2 . 1 1 5 5 ASP N N 5 120.600 120.600 117.724 2.876 25758 117 1 2 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.931 0.029 25758 118 1 2 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.557 0.643 25758 119 1 2 . 1 1 6 6 TYR N N 6 120.400 120.400 122.135 -1.735 25758 120 1 2 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.581 0.089 25758 121 1 2 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.081 -0.881 25758 122 1 2 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.689 -0.589 25758 123 1 2 . 1 1 7 7 LEU N N 7 118.800 118.800 119.031 -0.231 25758 124 1 2 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.732 0.118 25758 125 1 2 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.526 0.274 25758 126 1 2 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.469 -0.969 25758 127 1 2 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.649 -0.169 25758 128 1 2 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.811 0.489 25758 129 1 2 . 1 1 9 9 LYS N N 9 122.700 122.700 118.808 3.892 25758 130 1 2 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.980 0.080 25758 131 1 2 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.467 3.233 25758 132 1 2 . 1 1 10 10 SER N N 10 111.000 111.000 111.637 -0.637 25758 133 1 2 . 1 1 10 10 SER HA H 10 4.030 4.030 4.414 -0.384 25758 134 1 2 . 1 1 10 10 SER CA C 10 59.300 59.300 60.304 -1.004 25758 135 1 2 . 1 1 10 10 SER CB C 10 62.100 62.100 62.976 -0.876 25758 136 1 2 . 1 1 11 11 GLU N N 11 117.800 117.800 120.966 -3.166 25758 137 1 2 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.570 -0.180 25758 138 1 2 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.744 0.356 25758 139 1 2 . 1 1 12 12 CYS N N 12 120.300 120.300 120.944 -0.644 25758 140 1 2 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.902 0.218 25758 141 1 2 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.807 -6.807 25758 142 1 2 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.902 10.598 25758 143 1 2 . 1 1 13 13 THR N N 13 109.800 109.800 117.653 -7.853 25758 144 1 2 . 1 1 13 13 THR HA H 13 4.490 4.490 4.752 -0.262 25758 145 1 2 . 1 1 13 13 THR CA C 13 59.000 59.000 60.737 -1.737 25758 146 1 2 . 1 1 13 13 THR CB C 13 70.900 70.900 71.628 -0.728 25758 147 1 2 . 1 1 14 14 GLN N N 14 120.800 120.800 123.686 -2.886 25758 148 1 2 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.344 -0.514 25758 149 1 2 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.755 -0.655 25758 150 1 2 . 1 1 15 15 PHE N N 15 118.300 118.300 118.275 0.025 25758 151 1 2 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.260 -0.110 25758 152 1 2 . 1 1 15 15 PHE CA C 15 61.300 61.300 60.808 0.492 25758 153 1 2 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.568 0.632 25758 154 1 2 . 1 1 16 16 ARG N N 16 121.000 121.000 119.213 1.787 25758 155 1 2 . 1 1 16 16 ARG HA H 16 3.590 3.590 4.034 -0.444 25758 156 1 2 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.623 0.977 25758 157 1 2 . 1 1 17 17 CYS N N 17 115.200 115.200 116.388 -1.188 25758 158 1 2 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.602 -0.402 25758 159 1 2 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.324 -4.824 25758 160 1 2 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.110 9.790 25758 161 1 2 . 1 1 18 18 ARG N N 18 114.500 114.500 117.948 -3.448 25758 162 1 2 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.172 -0.042 25758 163 1 2 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.313 -0.313 25758 164 1 2 . 1 1 19 19 THR N N 19 106.000 106.000 111.056 -5.056 25758 165 1 2 . 1 1 19 19 THR HA H 19 4.310 4.310 4.387 -0.077 25758 166 1 2 . 1 1 19 19 THR CA C 19 61.800 61.800 62.081 -0.281 25758 167 1 2 . 1 1 19 19 THR CB C 19 71.200 71.200 69.822 1.378 25758 168 1 2 . 1 1 20 20 SER N N 20 117.000 117.000 116.447 0.553 25758 169 1 2 . 1 1 20 20 SER HA H 20 5.060 5.060 4.758 0.302 25758 170 1 2 . 1 1 20 20 SER CA C 20 56.100 56.100 57.195 -1.095 25758 171 1 2 . 1 1 20 20 SER CB C 20 63.200 63.200 64.422 -1.222 25758 172 1 2 . 1 1 21 21 MET N N 21 125.400 125.400 128.339 -2.939 25758 173 1 2 . 1 1 21 21 MET HA H 21 4.150 4.150 4.219 -0.069 25758 174 1 2 . 1 1 21 21 MET CA C 21 58.700 58.700 59.581 -0.881 25758 175 1 2 . 1 1 21 21 MET CB C 21 32.300 32.300 32.770 -0.470 25758 176 1 2 . 1 1 22 22 LYS N N 22 119.500 119.500 119.513 -0.013 25758 177 1 2 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.933 0.177 25758 178 1 2 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.956 -0.756 25758 179 1 2 . 1 1 23 23 TYR N N 23 118.900 118.900 116.882 2.018 25758 180 1 2 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.162 -0.122 25758 181 1 2 . 1 1 23 23 TYR CA C 23 60.200 60.200 62.569 -2.369 25758 182 1 2 . 1 1 24 24 ARG N N 24 117.400 117.400 117.520 -0.120 25758 183 1 2 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.307 -0.237 25758 184 1 2 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.623 1.377 25758 185 1 2 . 1 1 25 25 LEU N N 25 110.600 110.600 116.417 -5.817 25758 186 1 2 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.317 0.093 25758 187 1 2 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.714 0.086 25758 188 1 2 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.016 1.684 25758 189 1 2 . 1 1 26 26 ASN N N 26 113.400 113.400 116.814 -3.414 25758 190 1 2 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.461 0.639 25758 191 1 2 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.678 -0.578 25758 192 1 2 . 1 1 27 27 LEU N N 27 117.000 117.000 119.011 -2.011 25758 193 1 2 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.520 -0.120 25758 194 1 2 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.826 -0.726 25758 195 1 2 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.627 -0.127 25758 196 1 2 . 1 1 28 28 CYS N N 28 118.600 118.600 116.136 2.464 25758 197 1 2 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.769 0.691 25758 198 1 2 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.043 -3.443 25758 199 1 2 . 1 1 29 29 LYS N N 29 118.300 118.300 125.061 -6.761 25758 200 1 2 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.169 -0.349 25758 201 1 2 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.774 1.426 25758 202 1 2 . 1 1 30 30 LYS N N 30 116.900 116.900 120.601 -3.701 25758 203 1 2 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.189 -0.039 25758 204 1 2 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.915 -0.215 25758 205 1 2 . 1 1 31 31 THR N N 31 123.600 123.600 116.338 7.262 25758 206 1 2 . 1 1 31 31 THR HA H 31 3.800 3.800 4.079 -0.279 25758 207 1 2 . 1 1 31 31 THR CA C 31 68.400 68.400 66.685 1.715 25758 208 1 2 . 1 1 31 31 THR CB C 31 67.800 67.800 68.882 -1.082 25758 209 1 2 . 1 1 32 32 CYS N N 32 113.600 113.600 117.171 -3.571 25758 210 1 2 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.338 0.502 25758 211 1 2 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.997 -6.297 25758 212 1 2 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.260 9.240 25758 213 1 2 . 1 1 33 33 GLY N N 33 109.700 109.700 108.749 0.951 25758 214 1 2 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.932 0.768 25758 215 1 2 . 1 1 34 34 THR N N 34 113.800 113.800 112.745 1.055 25758 216 1 2 . 1 1 34 34 THR HA H 34 4.320 4.320 4.393 -0.073 25758 217 1 2 . 1 1 34 34 THR CA C 34 62.600 62.600 61.609 0.991 25758 218 1 2 . 1 1 34 34 THR CB C 34 68.100 68.100 69.914 -1.814 25758 219 1 3 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.894 -0.144 25758 220 1 3 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.196 -2.196 25758 221 1 3 . 1 1 4 4 LYS N N 4 124.800 124.800 120.069 4.731 25758 222 1 3 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.571 -0.051 25758 223 1 3 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.966 -1.166 25758 224 1 3 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.732 -0.432 25758 225 1 3 . 1 1 5 5 ASP N N 5 120.600 120.600 118.682 1.918 25758 226 1 3 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.957 0.003 25758 227 1 3 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.346 0.855 25758 228 1 3 . 1 1 6 6 TYR N N 6 120.400 120.400 122.104 -1.704 25758 229 1 3 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.486 0.184 25758 230 1 3 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.398 -1.198 25758 231 1 3 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.868 -0.768 25758 232 1 3 . 1 1 7 7 LEU N N 7 118.800 118.800 118.716 0.084 25758 233 1 3 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.792 0.058 25758 234 1 3 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.402 0.398 25758 235 1 3 . 1 1 7 7 LEU CB C 7 43.500 43.500 45.180 -1.680 25758 236 1 3 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.792 -0.312 25758 237 1 3 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.794 0.506 25758 238 1 3 . 1 1 9 9 LYS N N 9 122.700 122.700 119.634 3.066 25758 239 1 3 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.020 0.040 25758 240 1 3 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.389 3.311 25758 241 1 3 . 1 1 10 10 SER N N 10 111.000 111.000 113.154 -2.154 25758 242 1 3 . 1 1 10 10 SER HA H 10 4.030 4.030 4.412 -0.382 25758 243 1 3 . 1 1 10 10 SER CA C 10 59.300 59.300 60.482 -1.182 25758 244 1 3 . 1 1 10 10 SER CB C 10 62.100 62.100 62.980 -0.880 25758 245 1 3 . 1 1 11 11 GLU N N 11 117.800 117.800 120.414 -2.614 25758 246 1 3 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.527 -0.137 25758 247 1 3 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.581 0.518 25758 248 1 3 . 1 1 12 12 CYS N N 12 120.300 120.300 120.633 -0.333 25758 249 1 3 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.909 0.211 25758 250 1 3 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.527 -6.527 25758 251 1 3 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.802 10.698 25758 252 1 3 . 1 1 13 13 THR N N 13 109.800 109.800 118.284 -8.484 25758 253 1 3 . 1 1 13 13 THR HA H 13 4.490 4.490 4.808 -0.318 25758 254 1 3 . 1 1 13 13 THR CA C 13 59.000 59.000 60.360 -1.360 25758 255 1 3 . 1 1 13 13 THR CB C 13 70.900 70.900 71.704 -0.804 25758 256 1 3 . 1 1 14 14 GLN N N 14 120.800 120.800 123.637 -2.837 25758 257 1 3 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.258 -0.428 25758 258 1 3 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.742 0.358 25758 259 1 3 . 1 1 15 15 PHE N N 15 118.300 118.300 119.871 -1.571 25758 260 1 3 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.183 -0.033 25758 261 1 3 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.566 -0.266 25758 262 1 3 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.424 0.776 25758 263 1 3 . 1 1 16 16 ARG N N 16 121.000 121.000 119.258 1.742 25758 264 1 3 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.822 -0.232 25758 265 1 3 . 1 1 16 16 ARG CA C 16 59.600 59.600 59.088 0.512 25758 266 1 3 . 1 1 17 17 CYS N N 17 115.200 115.200 116.047 -0.847 25758 267 1 3 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.537 -0.337 25758 268 1 3 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.505 -4.005 25758 269 1 3 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.046 9.854 25758 270 1 3 . 1 1 18 18 ARG N N 18 114.500 114.500 119.114 -4.614 25758 271 1 3 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.134 -0.004 25758 272 1 3 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.742 -0.742 25758 273 1 3 . 1 1 19 19 THR N N 19 106.000 106.000 110.311 -4.311 25758 274 1 3 . 1 1 19 19 THR HA H 19 4.310 4.310 4.340 -0.030 25758 275 1 3 . 1 1 19 19 THR CA C 19 61.800 61.800 62.850 -1.050 25758 276 1 3 . 1 1 19 19 THR CB C 19 71.200 71.200 70.424 0.776 25758 277 1 3 . 1 1 20 20 SER N N 20 117.000 117.000 117.336 -0.336 25758 278 1 3 . 1 1 20 20 SER HA H 20 5.060 5.060 4.675 0.385 25758 279 1 3 . 1 1 20 20 SER CA C 20 56.100 56.100 56.734 -0.634 25758 280 1 3 . 1 1 20 20 SER CB C 20 63.200 63.200 63.586 -0.386 25758 281 1 3 . 1 1 21 21 MET N N 21 125.400 125.400 128.266 -2.866 25758 282 1 3 . 1 1 21 21 MET HA H 21 4.150 4.150 4.283 -0.133 25758 283 1 3 . 1 1 21 21 MET CA C 21 58.700 58.700 59.247 -0.547 25758 284 1 3 . 1 1 21 21 MET CB C 21 32.300 32.300 32.737 -0.437 25758 285 1 3 . 1 1 22 22 LYS N N 22 119.500 119.500 119.343 0.157 25758 286 1 3 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.951 0.159 25758 287 1 3 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.956 -0.756 25758 288 1 3 . 1 1 23 23 TYR N N 23 118.900 118.900 117.343 1.557 25758 289 1 3 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.129 -0.089 25758 290 1 3 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.732 -1.532 25758 291 1 3 . 1 1 24 24 ARG N N 24 117.400 117.400 118.137 -0.737 25758 292 1 3 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.090 -0.020 25758 293 1 3 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.949 1.051 25758 294 1 3 . 1 1 25 25 LEU N N 25 110.600 110.600 116.220 -5.620 25758 295 1 3 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.351 0.059 25758 296 1 3 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.155 0.645 25758 297 1 3 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.067 1.633 25758 298 1 3 . 1 1 26 26 ASN N N 26 113.400 113.400 116.401 -3.001 25758 299 1 3 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.465 0.635 25758 300 1 3 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.547 -0.447 25758 301 1 3 . 1 1 27 27 LEU N N 27 117.000 117.000 118.273 -1.273 25758 302 1 3 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.359 0.041 25758 303 1 3 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.973 -0.873 25758 304 1 3 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.366 0.134 25758 305 1 3 . 1 1 28 28 CYS N N 28 118.600 118.600 115.050 3.550 25758 306 1 3 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.891 0.569 25758 307 1 3 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.613 -3.013 25758 308 1 3 . 1 1 29 29 LYS N N 29 118.300 118.300 124.212 -5.912 25758 309 1 3 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.234 -0.414 25758 310 1 3 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.677 1.523 25758 311 1 3 . 1 1 30 30 LYS N N 30 116.900 116.900 120.533 -3.633 25758 312 1 3 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.195 -0.045 25758 313 1 3 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.989 -0.289 25758 314 1 3 . 1 1 31 31 THR N N 31 123.600 123.600 116.066 7.534 25758 315 1 3 . 1 1 31 31 THR HA H 31 3.800 3.800 4.098 -0.298 25758 316 1 3 . 1 1 31 31 THR CA C 31 68.400 68.400 65.628 2.772 25758 317 1 3 . 1 1 31 31 THR CB C 31 67.800 67.800 68.594 -0.794 25758 318 1 3 . 1 1 32 32 CYS N N 32 113.600 113.600 117.679 -4.079 25758 319 1 3 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.368 0.472 25758 320 1 3 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.904 -6.204 25758 321 1 3 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.472 9.028 25758 322 1 3 . 1 1 33 33 GLY N N 33 109.700 109.700 109.364 0.336 25758 323 1 3 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.096 0.604 25758 324 1 3 . 1 1 34 34 THR N N 34 113.800 113.800 112.383 1.417 25758 325 1 3 . 1 1 34 34 THR HA H 34 4.320 4.320 4.352 -0.032 25758 326 1 3 . 1 1 34 34 THR CA C 34 62.600 62.600 62.593 0.007 25758 327 1 3 . 1 1 34 34 THR CB C 34 68.100 68.100 69.797 -1.697 25758 328 1 4 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.324 0.426 25758 329 1 4 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.043 -4.043 25758 330 1 4 . 1 1 4 4 LYS N N 4 124.800 124.800 123.755 1.045 25758 331 1 4 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.501 0.019 25758 332 1 4 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.158 -0.358 25758 333 1 4 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.125 -0.825 25758 334 1 4 . 1 1 5 5 ASP N N 5 120.600 120.600 118.251 2.349 25758 335 1 4 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.961 -0.001 25758 336 1 4 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.344 0.856 25758 337 1 4 . 1 1 6 6 TYR N N 6 120.400 120.400 121.780 -1.380 25758 338 1 4 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.510 0.160 25758 339 1 4 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.647 -1.447 25758 340 1 4 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.677 -0.577 25758 341 1 4 . 1 1 7 7 LEU N N 7 118.800 118.800 118.693 0.107 25758 342 1 4 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.794 0.056 25758 343 1 4 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.567 0.233 25758 344 1 4 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.329 -0.829 25758 345 1 4 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.654 -0.174 25758 346 1 4 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.803 0.497 25758 347 1 4 . 1 1 9 9 LYS N N 9 122.700 122.700 119.163 3.537 25758 348 1 4 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.975 0.085 25758 349 1 4 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.555 3.145 25758 350 1 4 . 1 1 10 10 SER N N 10 111.000 111.000 112.105 -1.105 25758 351 1 4 . 1 1 10 10 SER HA H 10 4.030 4.030 4.409 -0.379 25758 352 1 4 . 1 1 10 10 SER CA C 10 59.300 59.300 60.223 -0.923 25758 353 1 4 . 1 1 10 10 SER CB C 10 62.100 62.100 62.889 -0.789 25758 354 1 4 . 1 1 11 11 GLU N N 11 117.800 117.800 119.759 -1.959 25758 355 1 4 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.499 -0.109 25758 356 1 4 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.733 0.367 25758 357 1 4 . 1 1 12 12 CYS N N 12 120.300 120.300 120.649 -0.349 25758 358 1 4 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.906 0.214 25758 359 1 4 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.531 -6.531 25758 360 1 4 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.759 10.742 25758 361 1 4 . 1 1 13 13 THR N N 13 109.800 109.800 117.506 -7.706 25758 362 1 4 . 1 1 13 13 THR HA H 13 4.490 4.490 4.858 -0.368 25758 363 1 4 . 1 1 13 13 THR CA C 13 59.000 59.000 60.479 -1.479 25758 364 1 4 . 1 1 13 13 THR CB C 13 70.900 70.900 71.761 -0.861 25758 365 1 4 . 1 1 14 14 GLN N N 14 120.800 120.800 123.501 -2.701 25758 366 1 4 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.345 -0.515 25758 367 1 4 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.848 -0.748 25758 368 1 4 . 1 1 15 15 PHE N N 15 118.300 118.300 118.811 -0.511 25758 369 1 4 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.214 -0.064 25758 370 1 4 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.335 -0.035 25758 371 1 4 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.606 0.594 25758 372 1 4 . 1 1 16 16 ARG N N 16 121.000 121.000 119.734 1.266 25758 373 1 4 . 1 1 16 16 ARG HA H 16 3.590 3.590 4.014 -0.424 25758 374 1 4 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.274 1.326 25758 375 1 4 . 1 1 17 17 CYS N N 17 115.200 115.200 116.353 -1.153 25758 376 1 4 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.627 -0.427 25758 377 1 4 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.315 -4.815 25758 378 1 4 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.916 9.984 25758 379 1 4 . 1 1 18 18 ARG N N 18 114.500 114.500 119.341 -4.841 25758 380 1 4 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.189 -0.059 25758 381 1 4 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.580 -0.580 25758 382 1 4 . 1 1 19 19 THR N N 19 106.000 106.000 109.914 -3.914 25758 383 1 4 . 1 1 19 19 THR HA H 19 4.310 4.310 4.360 -0.050 25758 384 1 4 . 1 1 19 19 THR CA C 19 61.800 61.800 61.879 -0.079 25758 385 1 4 . 1 1 19 19 THR CB C 19 71.200 71.200 69.429 1.771 25758 386 1 4 . 1 1 20 20 SER N N 20 117.000 117.000 117.688 -0.688 25758 387 1 4 . 1 1 20 20 SER HA H 20 5.060 5.060 4.753 0.307 25758 388 1 4 . 1 1 20 20 SER CA C 20 56.100 56.100 57.602 -1.502 25758 389 1 4 . 1 1 20 20 SER CB C 20 63.200 63.200 64.901 -1.701 25758 390 1 4 . 1 1 21 21 MET N N 21 125.400 125.400 126.700 -1.300 25758 391 1 4 . 1 1 21 21 MET HA H 21 4.150 4.150 4.160 -0.010 25758 392 1 4 . 1 1 21 21 MET CA C 21 58.700 58.700 59.844 -1.144 25758 393 1 4 . 1 1 21 21 MET CB C 21 32.300 32.300 32.816 -0.515 25758 394 1 4 . 1 1 22 22 LYS N N 22 119.500 119.500 120.118 -0.618 25758 395 1 4 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.972 0.138 25758 396 1 4 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.687 -0.487 25758 397 1 4 . 1 1 23 23 TYR N N 23 118.900 118.900 116.160 2.740 25758 398 1 4 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.237 -0.197 25758 399 1 4 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.668 -1.468 25758 400 1 4 . 1 1 24 24 ARG N N 24 117.400 117.400 118.257 -0.857 25758 401 1 4 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.389 -0.319 25758 402 1 4 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.630 1.370 25758 403 1 4 . 1 1 25 25 LEU N N 25 110.600 110.600 116.970 -6.370 25758 404 1 4 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.337 0.073 25758 405 1 4 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.151 0.649 25758 406 1 4 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.196 1.504 25758 407 1 4 . 1 1 26 26 ASN N N 26 113.400 113.400 116.475 -3.075 25758 408 1 4 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.459 0.641 25758 409 1 4 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.624 -0.524 25758 410 1 4 . 1 1 27 27 LEU N N 27 117.000 117.000 118.429 -1.429 25758 411 1 4 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.355 0.045 25758 412 1 4 . 1 1 27 27 LEU CA C 27 55.100 55.100 56.058 -0.958 25758 413 1 4 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.454 0.046 25758 414 1 4 . 1 1 28 28 CYS N N 28 118.600 118.600 115.658 2.942 25758 415 1 4 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.823 0.637 25758 416 1 4 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.749 -3.149 25758 417 1 4 . 1 1 29 29 LYS N N 29 118.300 118.300 124.761 -6.461 25758 418 1 4 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.184 -0.364 25758 419 1 4 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.883 1.317 25758 420 1 4 . 1 1 30 30 LYS N N 30 116.900 116.900 120.175 -3.275 25758 421 1 4 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.203 -0.053 25758 422 1 4 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.910 -0.209 25758 423 1 4 . 1 1 31 31 THR N N 31 123.600 123.600 116.150 7.450 25758 424 1 4 . 1 1 31 31 THR HA H 31 3.800 3.800 4.074 -0.274 25758 425 1 4 . 1 1 31 31 THR CA C 31 68.400 68.400 65.908 2.492 25758 426 1 4 . 1 1 31 31 THR CB C 31 67.800 67.800 68.553 -0.753 25758 427 1 4 . 1 1 32 32 CYS N N 32 113.600 113.600 117.544 -3.944 25758 428 1 4 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.339 0.501 25758 429 1 4 . 1 1 32 32 CYS CA C 32 52.700 52.700 59.108 -6.408 25758 430 1 4 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.465 9.034 25758 431 1 4 . 1 1 33 33 GLY N N 33 109.700 109.700 108.540 1.160 25758 432 1 4 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.087 0.613 25758 433 1 4 . 1 1 34 34 THR N N 34 113.800 113.800 112.924 0.876 25758 434 1 4 . 1 1 34 34 THR HA H 34 4.320 4.320 4.508 -0.188 25758 435 1 4 . 1 1 34 34 THR CA C 34 62.600 62.600 62.145 0.454 25758 436 1 4 . 1 1 34 34 THR CB C 34 68.100 68.100 70.269 -2.169 25758 437 1 5 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.914 -0.164 25758 438 1 5 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.523 -2.523 25758 439 1 5 . 1 1 4 4 LYS N N 4 124.800 124.800 120.850 3.950 25758 440 1 5 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.529 -0.009 25758 441 1 5 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.321 -0.520 25758 442 1 5 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.280 0.020 25758 443 1 5 . 1 1 5 5 ASP N N 5 120.600 120.600 118.971 1.629 25758 444 1 5 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.967 -0.007 25758 445 1 5 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.238 0.962 25758 446 1 5 . 1 1 6 6 TYR N N 6 120.400 120.400 121.830 -1.430 25758 447 1 5 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.531 0.139 25758 448 1 5 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.274 -1.074 25758 449 1 5 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.622 -0.522 25758 450 1 5 . 1 1 7 7 LEU N N 7 118.800 118.800 118.734 0.066 25758 451 1 5 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.768 0.082 25758 452 1 5 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.550 0.250 25758 453 1 5 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.829 -1.329 25758 454 1 5 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.756 -0.276 25758 455 1 5 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.732 0.568 25758 456 1 5 . 1 1 9 9 LYS N N 9 122.700 122.700 119.425 3.275 25758 457 1 5 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.006 0.054 25758 458 1 5 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.405 3.295 25758 459 1 5 . 1 1 10 10 SER N N 10 111.000 111.000 111.826 -0.826 25758 460 1 5 . 1 1 10 10 SER HA H 10 4.030 4.030 4.414 -0.384 25758 461 1 5 . 1 1 10 10 SER CA C 10 59.300 59.300 60.138 -0.838 25758 462 1 5 . 1 1 10 10 SER CB C 10 62.100 62.100 63.041 -0.941 25758 463 1 5 . 1 1 11 11 GLU N N 11 117.800 117.800 119.475 -1.675 25758 464 1 5 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.503 -0.113 25758 465 1 5 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.964 0.136 25758 466 1 5 . 1 1 12 12 CYS N N 12 120.300 120.300 120.635 -0.335 25758 467 1 5 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.891 0.229 25758 468 1 5 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.556 -6.556 25758 469 1 5 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.790 10.710 25758 470 1 5 . 1 1 13 13 THR N N 13 109.800 109.800 118.319 -8.519 25758 471 1 5 . 1 1 13 13 THR HA H 13 4.490 4.490 4.812 -0.322 25758 472 1 5 . 1 1 13 13 THR CA C 13 59.000 59.000 60.365 -1.365 25758 473 1 5 . 1 1 13 13 THR CB C 13 70.900 70.900 71.732 -0.832 25758 474 1 5 . 1 1 14 14 GLN N N 14 120.800 120.800 123.593 -2.793 25758 475 1 5 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.235 -0.405 25758 476 1 5 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.739 0.361 25758 477 1 5 . 1 1 15 15 PHE N N 15 118.300 118.300 119.856 -1.556 25758 478 1 5 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.191 -0.041 25758 479 1 5 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.570 -0.270 25758 480 1 5 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.422 0.778 25758 481 1 5 . 1 1 16 16 ARG N N 16 121.000 121.000 119.288 1.712 25758 482 1 5 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.844 -0.254 25758 483 1 5 . 1 1 16 16 ARG CA C 16 59.600 59.600 59.054 0.546 25758 484 1 5 . 1 1 17 17 CYS N N 17 115.200 115.200 115.844 -0.644 25758 485 1 5 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.551 -0.351 25758 486 1 5 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.513 -4.013 25758 487 1 5 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.140 9.760 25758 488 1 5 . 1 1 18 18 ARG N N 18 114.500 114.500 118.821 -4.321 25758 489 1 5 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.144 -0.014 25758 490 1 5 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.893 -0.893 25758 491 1 5 . 1 1 19 19 THR N N 19 106.000 106.000 109.592 -3.592 25758 492 1 5 . 1 1 19 19 THR HA H 19 4.310 4.310 4.338 -0.028 25758 493 1 5 . 1 1 19 19 THR CA C 19 61.800 61.800 62.867 -1.067 25758 494 1 5 . 1 1 19 19 THR CB C 19 71.200 71.200 70.052 1.148 25758 495 1 5 . 1 1 20 20 SER N N 20 117.000 117.000 117.604 -0.604 25758 496 1 5 . 1 1 20 20 SER HA H 20 5.060 5.060 4.624 0.436 25758 497 1 5 . 1 1 20 20 SER CA C 20 56.100 56.100 56.889 -0.789 25758 498 1 5 . 1 1 20 20 SER CB C 20 63.200 63.200 63.614 -0.414 25758 499 1 5 . 1 1 21 21 MET N N 21 125.400 125.400 128.492 -3.092 25758 500 1 5 . 1 1 21 21 MET HA H 21 4.150 4.150 4.247 -0.097 25758 501 1 5 . 1 1 21 21 MET CA C 21 58.700 58.700 59.396 -0.696 25758 502 1 5 . 1 1 21 21 MET CB C 21 32.300 32.300 32.742 -0.442 25758 503 1 5 . 1 1 22 22 LYS N N 22 119.500 119.500 119.429 0.071 25758 504 1 5 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.931 0.179 25758 505 1 5 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.854 -0.654 25758 506 1 5 . 1 1 23 23 TYR N N 23 118.900 118.900 117.319 1.581 25758 507 1 5 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.138 -0.098 25758 508 1 5 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.609 -1.409 25758 509 1 5 . 1 1 24 24 ARG N N 24 117.400 117.400 117.979 -0.579 25758 510 1 5 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.050 0.020 25758 511 1 5 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.997 1.003 25758 512 1 5 . 1 1 25 25 LEU N N 25 110.600 110.600 116.159 -5.559 25758 513 1 5 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.318 0.092 25758 514 1 5 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.155 0.645 25758 515 1 5 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.158 1.542 25758 516 1 5 . 1 1 26 26 ASN N N 26 113.400 113.400 116.446 -3.046 25758 517 1 5 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.410 0.690 25758 518 1 5 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.458 -0.358 25758 519 1 5 . 1 1 27 27 LEU N N 27 117.000 117.000 118.429 -1.429 25758 520 1 5 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.335 0.065 25758 521 1 5 . 1 1 27 27 LEU CA C 27 55.100 55.100 56.044 -0.944 25758 522 1 5 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.166 0.334 25758 523 1 5 . 1 1 28 28 CYS N N 28 118.600 118.600 114.406 4.194 25758 524 1 5 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.840 0.620 25758 525 1 5 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.334 -2.735 25758 526 1 5 . 1 1 29 29 LYS N N 29 118.300 118.300 123.427 -5.127 25758 527 1 5 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.350 -0.530 25758 528 1 5 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.491 1.709 25758 529 1 5 . 1 1 30 30 LYS N N 30 116.900 116.900 121.125 -4.225 25758 530 1 5 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.328 -0.178 25758 531 1 5 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.838 -0.138 25758 532 1 5 . 1 1 31 31 THR N N 31 123.600 123.600 116.072 7.528 25758 533 1 5 . 1 1 31 31 THR HA H 31 3.800 3.800 4.101 -0.301 25758 534 1 5 . 1 1 31 31 THR CA C 31 68.400 68.400 65.666 2.734 25758 535 1 5 . 1 1 31 31 THR CB C 31 67.800 67.800 68.606 -0.806 25758 536 1 5 . 1 1 32 32 CYS N N 32 113.600 113.600 117.915 -4.315 25758 537 1 5 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.366 0.474 25758 538 1 5 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.892 -6.192 25758 539 1 5 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.332 9.168 25758 540 1 5 . 1 1 33 33 GLY N N 33 109.700 109.700 109.646 0.054 25758 541 1 5 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.013 0.687 25758 542 1 5 . 1 1 34 34 THR N N 34 113.800 113.800 110.977 2.823 25758 543 1 5 . 1 1 34 34 THR HA H 34 4.320 4.320 4.376 -0.056 25758 544 1 5 . 1 1 34 34 THR CA C 34 62.600 62.600 61.980 0.619 25758 545 1 5 . 1 1 34 34 THR CB C 34 68.100 68.100 69.986 -1.886 25758 546 1 6 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.103 0.647 25758 547 1 6 . 1 1 3 3 CYS CA C 3 55.000 55.000 60.540 -5.540 25758 548 1 6 . 1 1 4 4 LYS N N 4 124.800 124.800 120.748 4.052 25758 549 1 6 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.671 -0.151 25758 550 1 6 . 1 1 4 4 LYS CA C 4 54.800 54.800 54.978 -0.179 25758 551 1 6 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.543 -1.243 25758 552 1 6 . 1 1 5 5 ASP N N 5 120.600 120.600 118.013 2.587 25758 553 1 6 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.965 -0.005 25758 554 1 6 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.584 0.616 25758 555 1 6 . 1 1 6 6 TYR N N 6 120.400 120.400 120.703 -0.303 25758 556 1 6 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.686 -0.016 25758 557 1 6 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.343 -0.143 25758 558 1 6 . 1 1 6 6 TYR CB C 6 39.100 39.100 40.042 -0.942 25758 559 1 6 . 1 1 7 7 LEU N N 7 118.800 118.800 118.270 0.530 25758 560 1 6 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.822 0.028 25758 561 1 6 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.904 -0.104 25758 562 1 6 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.754 -1.254 25758 563 1 6 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.825 -0.345 25758 564 1 6 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.975 0.325 25758 565 1 6 . 1 1 9 9 LYS N N 9 122.700 122.700 118.934 3.766 25758 566 1 6 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.965 0.095 25758 567 1 6 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.921 2.779 25758 568 1 6 . 1 1 10 10 SER N N 10 111.000 111.000 112.003 -1.003 25758 569 1 6 . 1 1 10 10 SER HA H 10 4.030 4.030 4.399 -0.369 25758 570 1 6 . 1 1 10 10 SER CA C 10 59.300 59.300 60.199 -0.899 25758 571 1 6 . 1 1 10 10 SER CB C 10 62.100 62.100 62.783 -0.683 25758 572 1 6 . 1 1 11 11 GLU N N 11 117.800 117.800 119.435 -1.635 25758 573 1 6 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.594 -0.204 25758 574 1 6 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.948 0.152 25758 575 1 6 . 1 1 12 12 CYS N N 12 120.300 120.300 119.040 1.260 25758 576 1 6 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.954 0.166 25758 577 1 6 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.140 -4.140 25758 578 1 6 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.566 11.934 25758 579 1 6 . 1 1 13 13 THR N N 13 109.800 109.800 115.278 -5.478 25758 580 1 6 . 1 1 13 13 THR HA H 13 4.490 4.490 4.622 -0.132 25758 581 1 6 . 1 1 13 13 THR CA C 13 59.000 59.000 60.047 -1.046 25758 582 1 6 . 1 1 13 13 THR CB C 13 70.900 70.900 71.964 -1.064 25758 583 1 6 . 1 1 14 14 GLN N N 14 120.800 120.800 123.032 -2.232 25758 584 1 6 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.240 -0.410 25758 585 1 6 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.732 0.368 25758 586 1 6 . 1 1 15 15 PHE N N 15 118.300 118.300 119.657 -1.357 25758 587 1 6 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.195 -0.045 25758 588 1 6 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.519 -0.219 25758 589 1 6 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.413 0.787 25758 590 1 6 . 1 1 16 16 ARG N N 16 121.000 121.000 119.685 1.315 25758 591 1 6 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.839 -0.249 25758 592 1 6 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.519 1.081 25758 593 1 6 . 1 1 17 17 CYS N N 17 115.200 115.200 116.144 -0.944 25758 594 1 6 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.566 -0.366 25758 595 1 6 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.382 -4.882 25758 596 1 6 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.872 10.028 25758 597 1 6 . 1 1 18 18 ARG N N 18 114.500 114.500 118.973 -4.473 25758 598 1 6 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.136 -0.006 25758 599 1 6 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.814 -0.814 25758 600 1 6 . 1 1 19 19 THR N N 19 106.000 106.000 109.793 -3.793 25758 601 1 6 . 1 1 19 19 THR HA H 19 4.310 4.310 4.358 -0.048 25758 602 1 6 . 1 1 19 19 THR CA C 19 61.800 61.800 62.684 -0.884 25758 603 1 6 . 1 1 19 19 THR CB C 19 71.200 71.200 70.182 1.018 25758 604 1 6 . 1 1 20 20 SER N N 20 117.000 117.000 118.655 -1.655 25758 605 1 6 . 1 1 20 20 SER HA H 20 5.060 5.060 4.772 0.288 25758 606 1 6 . 1 1 20 20 SER CA C 20 56.100 56.100 57.948 -1.848 25758 607 1 6 . 1 1 20 20 SER CB C 20 63.200 63.200 64.315 -1.115 25758 608 1 6 . 1 1 21 21 MET N N 21 125.400 125.400 127.113 -1.713 25758 609 1 6 . 1 1 21 21 MET HA H 21 4.150 4.150 4.222 -0.072 25758 610 1 6 . 1 1 21 21 MET CA C 21 58.700 58.700 59.014 -0.314 25758 611 1 6 . 1 1 21 21 MET CB C 21 32.300 32.300 32.631 -0.331 25758 612 1 6 . 1 1 22 22 LYS N N 22 119.500 119.500 120.149 -0.649 25758 613 1 6 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.885 0.225 25758 614 1 6 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.869 -0.669 25758 615 1 6 . 1 1 23 23 TYR N N 23 118.900 118.900 116.715 2.185 25758 616 1 6 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.122 -0.082 25758 617 1 6 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.587 -1.387 25758 618 1 6 . 1 1 24 24 ARG N N 24 117.400 117.400 118.160 -0.760 25758 619 1 6 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.149 -0.079 25758 620 1 6 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.885 1.115 25758 621 1 6 . 1 1 25 25 LEU N N 25 110.600 110.600 116.538 -5.938 25758 622 1 6 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.287 0.123 25758 623 1 6 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.873 -0.073 25758 624 1 6 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.819 1.881 25758 625 1 6 . 1 1 26 26 ASN N N 26 113.400 113.400 116.709 -3.309 25758 626 1 6 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.407 0.693 25758 627 1 6 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.612 -0.512 25758 628 1 6 . 1 1 27 27 LEU N N 27 117.000 117.000 119.476 -2.476 25758 629 1 6 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.401 -0.001 25758 630 1 6 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.211 -0.111 25758 631 1 6 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.015 0.485 25758 632 1 6 . 1 1 28 28 CYS N N 28 118.600 118.600 117.340 1.260 25758 633 1 6 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.665 0.795 25758 634 1 6 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.794 -4.194 25758 635 1 6 . 1 1 29 29 LYS N N 29 118.300 118.300 125.313 -7.013 25758 636 1 6 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.236 -0.416 25758 637 1 6 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.843 1.357 25758 638 1 6 . 1 1 30 30 LYS N N 30 116.900 116.900 121.286 -4.386 25758 639 1 6 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.210 -0.060 25758 640 1 6 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.965 -0.265 25758 641 1 6 . 1 1 31 31 THR N N 31 123.600 123.600 116.470 7.130 25758 642 1 6 . 1 1 31 31 THR HA H 31 3.800 3.800 4.088 -0.288 25758 643 1 6 . 1 1 31 31 THR CA C 31 68.400 68.400 66.403 1.997 25758 644 1 6 . 1 1 31 31 THR CB C 31 67.800 67.800 68.754 -0.954 25758 645 1 6 . 1 1 32 32 CYS N N 32 113.600 113.600 117.352 -3.752 25758 646 1 6 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.331 0.509 25758 647 1 6 . 1 1 32 32 CYS CA C 32 52.700 52.700 59.020 -6.320 25758 648 1 6 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.243 9.257 25758 649 1 6 . 1 1 33 33 GLY N N 33 109.700 109.700 108.663 1.037 25758 650 1 6 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.068 0.632 25758 651 1 6 . 1 1 34 34 THR N N 34 113.800 113.800 112.726 1.074 25758 652 1 6 . 1 1 34 34 THR HA H 34 4.320 4.320 4.419 -0.099 25758 653 1 6 . 1 1 34 34 THR CA C 34 62.600 62.600 61.788 0.812 25758 654 1 6 . 1 1 34 34 THR CB C 34 68.100 68.100 70.095 -1.995 25758 655 1 7 . 1 1 3 3 CYS HA H 3 4.750 4.750 5.048 -0.298 25758 656 1 7 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.586 -2.586 25758 657 1 7 . 1 1 4 4 LYS N N 4 124.800 124.800 119.818 4.982 25758 658 1 7 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.505 0.015 25758 659 1 7 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.820 -1.020 25758 660 1 7 . 1 1 4 4 LYS CB C 4 35.300 35.300 34.842 0.458 25758 661 1 7 . 1 1 5 5 ASP N N 5 120.600 120.600 118.592 2.008 25758 662 1 7 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.961 -0.001 25758 663 1 7 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.387 0.813 25758 664 1 7 . 1 1 6 6 TYR N N 6 120.400 120.400 121.873 -1.473 25758 665 1 7 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.455 0.215 25758 666 1 7 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.678 -1.478 25758 667 1 7 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.728 -0.628 25758 668 1 7 . 1 1 7 7 LEU N N 7 118.800 118.800 117.997 0.803 25758 669 1 7 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.848 0.002 25758 670 1 7 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.356 0.444 25758 671 1 7 . 1 1 7 7 LEU CB C 7 43.500 43.500 45.411 -1.911 25758 672 1 7 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.694 -0.214 25758 673 1 7 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.785 0.515 25758 674 1 7 . 1 1 9 9 LYS N N 9 122.700 122.700 119.410 3.290 25758 675 1 7 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.991 0.069 25758 676 1 7 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.322 3.378 25758 677 1 7 . 1 1 10 10 SER N N 10 111.000 111.000 112.681 -1.681 25758 678 1 7 . 1 1 10 10 SER HA H 10 4.030 4.030 4.419 -0.389 25758 679 1 7 . 1 1 10 10 SER CA C 10 59.300 59.300 60.081 -0.781 25758 680 1 7 . 1 1 10 10 SER CB C 10 62.100 62.100 63.172 -1.072 25758 681 1 7 . 1 1 11 11 GLU N N 11 117.800 117.800 119.958 -2.158 25758 682 1 7 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.510 -0.120 25758 683 1 7 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.733 0.367 25758 684 1 7 . 1 1 12 12 CYS N N 12 120.300 120.300 120.619 -0.319 25758 685 1 7 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.931 0.189 25758 686 1 7 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.518 -6.518 25758 687 1 7 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.848 10.652 25758 688 1 7 . 1 1 13 13 THR N N 13 109.800 109.800 118.140 -8.340 25758 689 1 7 . 1 1 13 13 THR HA H 13 4.490 4.490 4.812 -0.322 25758 690 1 7 . 1 1 13 13 THR CA C 13 59.000 59.000 60.346 -1.347 25758 691 1 7 . 1 1 13 13 THR CB C 13 70.900 70.900 71.744 -0.844 25758 692 1 7 . 1 1 14 14 GLN N N 14 120.800 120.800 123.479 -2.679 25758 693 1 7 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.267 -0.437 25758 694 1 7 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.727 0.373 25758 695 1 7 . 1 1 15 15 PHE N N 15 118.300 118.300 119.846 -1.546 25758 696 1 7 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.182 -0.032 25758 697 1 7 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.580 -0.280 25758 698 1 7 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.417 0.783 25758 699 1 7 . 1 1 16 16 ARG N N 16 121.000 121.000 119.340 1.660 25758 700 1 7 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.819 -0.229 25758 701 1 7 . 1 1 16 16 ARG CA C 16 59.600 59.600 59.040 0.560 25758 702 1 7 . 1 1 17 17 CYS N N 17 115.200 115.200 115.747 -0.547 25758 703 1 7 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.549 -0.349 25758 704 1 7 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.488 -3.988 25758 705 1 7 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.010 9.890 25758 706 1 7 . 1 1 18 18 ARG N N 18 114.500 114.500 119.284 -4.784 25758 707 1 7 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.164 -0.034 25758 708 1 7 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.482 -0.482 25758 709 1 7 . 1 1 19 19 THR N N 19 106.000 106.000 110.468 -4.468 25758 710 1 7 . 1 1 19 19 THR HA H 19 4.310 4.310 4.331 -0.021 25758 711 1 7 . 1 1 19 19 THR CA C 19 61.800 61.800 62.604 -0.804 25758 712 1 7 . 1 1 19 19 THR CB C 19 71.200 71.200 69.944 1.256 25758 713 1 7 . 1 1 20 20 SER N N 20 117.000 117.000 117.097 -0.097 25758 714 1 7 . 1 1 20 20 SER HA H 20 5.060 5.060 4.657 0.403 25758 715 1 7 . 1 1 20 20 SER CA C 20 56.100 56.100 56.965 -0.865 25758 716 1 7 . 1 1 20 20 SER CB C 20 63.200 63.200 64.065 -0.865 25758 717 1 7 . 1 1 21 21 MET N N 21 125.400 125.400 127.945 -2.545 25758 718 1 7 . 1 1 21 21 MET HA H 21 4.150 4.150 4.278 -0.128 25758 719 1 7 . 1 1 21 21 MET CA C 21 58.700 58.700 58.668 0.032 25758 720 1 7 . 1 1 21 21 MET CB C 21 32.300 32.300 32.553 -0.253 25758 721 1 7 . 1 1 22 22 LYS N N 22 119.500 119.500 119.922 -0.422 25758 722 1 7 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.941 0.169 25758 723 1 7 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.866 -0.666 25758 724 1 7 . 1 1 23 23 TYR N N 23 118.900 118.900 117.398 1.502 25758 725 1 7 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.121 -0.081 25758 726 1 7 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.688 -1.488 25758 727 1 7 . 1 1 24 24 ARG N N 24 117.400 117.400 117.649 -0.249 25758 728 1 7 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.108 -0.038 25758 729 1 7 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.970 1.030 25758 730 1 7 . 1 1 25 25 LEU N N 25 110.600 110.600 116.968 -6.368 25758 731 1 7 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.351 0.059 25758 732 1 7 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.860 -0.060 25758 733 1 7 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.641 2.059 25758 734 1 7 . 1 1 26 26 ASN N N 26 113.400 113.400 117.432 -4.032 25758 735 1 7 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.427 0.673 25758 736 1 7 . 1 1 26 26 ASN CA C 26 55.100 55.100 56.014 -0.914 25758 737 1 7 . 1 1 27 27 LEU N N 27 117.000 117.000 119.121 -2.121 25758 738 1 7 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.291 0.109 25758 739 1 7 . 1 1 27 27 LEU CA C 27 55.100 55.100 56.126 -1.026 25758 740 1 7 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.241 0.259 25758 741 1 7 . 1 1 28 28 CYS N N 28 118.600 118.600 114.914 3.686 25758 742 1 7 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.876 0.584 25758 743 1 7 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.626 -3.026 25758 744 1 7 . 1 1 29 29 LYS N N 29 118.300 118.300 124.207 -5.907 25758 745 1 7 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.232 -0.412 25758 746 1 7 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.736 1.464 25758 747 1 7 . 1 1 30 30 LYS N N 30 116.900 116.900 120.799 -3.899 25758 748 1 7 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.174 -0.024 25758 749 1 7 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.107 -0.407 25758 750 1 7 . 1 1 31 31 THR N N 31 123.600 123.600 116.300 7.300 25758 751 1 7 . 1 1 31 31 THR HA H 31 3.800 3.800 4.094 -0.294 25758 752 1 7 . 1 1 31 31 THR CA C 31 68.400 68.400 66.571 1.829 25758 753 1 7 . 1 1 31 31 THR CB C 31 67.800 67.800 68.889 -1.089 25758 754 1 7 . 1 1 32 32 CYS N N 32 113.600 113.600 117.342 -3.742 25758 755 1 7 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.353 0.487 25758 756 1 7 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.933 -6.233 25758 757 1 7 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.284 9.216 25758 758 1 7 . 1 1 33 33 GLY N N 33 109.700 109.700 109.272 0.428 25758 759 1 7 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.991 0.709 25758 760 1 7 . 1 1 34 34 THR N N 34 113.800 113.800 111.920 1.880 25758 761 1 7 . 1 1 34 34 THR HA H 34 4.320 4.320 4.362 -0.042 25758 762 1 7 . 1 1 34 34 THR CA C 34 62.600 62.600 63.058 -0.458 25758 763 1 7 . 1 1 34 34 THR CB C 34 68.100 68.100 69.802 -1.702 25758 764 1 8 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.279 0.471 25758 765 1 8 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.266 -4.266 25758 766 1 8 . 1 1 4 4 LYS N N 4 124.800 124.800 125.247 -0.447 25758 767 1 8 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.548 -0.028 25758 768 1 8 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.366 -0.566 25758 769 1 8 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.111 -0.811 25758 770 1 8 . 1 1 5 5 ASP N N 5 120.600 120.600 118.764 1.836 25758 771 1 8 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.962 -0.002 25758 772 1 8 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.322 0.878 25758 773 1 8 . 1 1 6 6 TYR N N 6 120.400 120.400 122.202 -1.802 25758 774 1 8 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.456 0.214 25758 775 1 8 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.630 -1.429 25758 776 1 8 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.625 -0.525 25758 777 1 8 . 1 1 7 7 LEU N N 7 118.800 118.800 118.576 0.224 25758 778 1 8 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.702 0.148 25758 779 1 8 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.317 0.483 25758 780 1 8 . 1 1 7 7 LEU CB C 7 43.500 43.500 45.138 -1.638 25758 781 1 8 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.612 -0.132 25758 782 1 8 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.646 0.654 25758 783 1 8 . 1 1 9 9 LYS N N 9 122.700 122.700 119.394 3.306 25758 784 1 8 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.995 0.065 25758 785 1 8 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.325 3.375 25758 786 1 8 . 1 1 10 10 SER N N 10 111.000 111.000 113.011 -2.011 25758 787 1 8 . 1 1 10 10 SER HA H 10 4.030 4.030 4.415 -0.385 25758 788 1 8 . 1 1 10 10 SER CA C 10 59.300 59.300 59.904 -0.604 25758 789 1 8 . 1 1 10 10 SER CB C 10 62.100 62.100 63.190 -1.090 25758 790 1 8 . 1 1 11 11 GLU N N 11 117.800 117.800 120.164 -2.364 25758 791 1 8 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.505 -0.115 25758 792 1 8 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.560 0.539 25758 793 1 8 . 1 1 12 12 CYS N N 12 120.300 120.300 120.676 -0.376 25758 794 1 8 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.876 0.244 25758 795 1 8 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.504 -6.504 25758 796 1 8 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.745 10.755 25758 797 1 8 . 1 1 13 13 THR N N 13 109.800 109.800 118.286 -8.486 25758 798 1 8 . 1 1 13 13 THR HA H 13 4.490 4.490 4.795 -0.305 25758 799 1 8 . 1 1 13 13 THR CA C 13 59.000 59.000 60.355 -1.355 25758 800 1 8 . 1 1 13 13 THR CB C 13 70.900 70.900 71.707 -0.807 25758 801 1 8 . 1 1 14 14 GLN N N 14 120.800 120.800 123.301 -2.501 25758 802 1 8 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.297 -0.467 25758 803 1 8 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.670 0.430 25758 804 1 8 . 1 1 15 15 PHE N N 15 118.300 118.300 119.828 -1.528 25758 805 1 8 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.205 -0.055 25758 806 1 8 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.528 -0.228 25758 807 1 8 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.444 0.756 25758 808 1 8 . 1 1 16 16 ARG N N 16 121.000 121.000 120.269 0.731 25758 809 1 8 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.876 -0.286 25758 810 1 8 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.674 0.926 25758 811 1 8 . 1 1 17 17 CYS N N 17 115.200 115.200 116.926 -1.726 25758 812 1 8 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.365 -0.165 25758 813 1 8 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.030 -4.530 25758 814 1 8 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.804 10.096 25758 815 1 8 . 1 1 18 18 ARG N N 18 114.500 114.500 118.730 -4.230 25758 816 1 8 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.134 -0.004 25758 817 1 8 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.847 -0.847 25758 818 1 8 . 1 1 19 19 THR N N 19 106.000 106.000 109.673 -3.673 25758 819 1 8 . 1 1 19 19 THR HA H 19 4.310 4.310 4.317 -0.007 25758 820 1 8 . 1 1 19 19 THR CA C 19 61.800 61.800 62.673 -0.873 25758 821 1 8 . 1 1 19 19 THR CB C 19 71.200 71.200 69.638 1.562 25758 822 1 8 . 1 1 20 20 SER N N 20 117.000 117.000 119.346 -2.346 25758 823 1 8 . 1 1 20 20 SER HA H 20 5.060 5.060 4.609 0.451 25758 824 1 8 . 1 1 20 20 SER CA C 20 56.100 56.100 58.435 -2.335 25758 825 1 8 . 1 1 20 20 SER CB C 20 63.200 63.200 63.813 -0.613 25758 826 1 8 . 1 1 21 21 MET N N 21 125.400 125.400 127.225 -1.825 25758 827 1 8 . 1 1 21 21 MET HA H 21 4.150 4.150 4.231 -0.081 25758 828 1 8 . 1 1 21 21 MET CA C 21 58.700 58.700 59.627 -0.927 25758 829 1 8 . 1 1 21 21 MET CB C 21 32.300 32.300 32.880 -0.580 25758 830 1 8 . 1 1 22 22 LYS N N 22 119.500 119.500 119.126 0.374 25758 831 1 8 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.997 0.113 25758 832 1 8 . 1 1 22 22 LYS CA C 22 59.200 59.200 58.988 0.212 25758 833 1 8 . 1 1 23 23 TYR N N 23 118.900 118.900 117.199 1.701 25758 834 1 8 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.260 -0.220 25758 835 1 8 . 1 1 23 23 TYR CA C 23 60.200 60.200 62.657 -2.457 25758 836 1 8 . 1 1 24 24 ARG N N 24 117.400 117.400 118.570 -1.170 25758 837 1 8 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.174 -0.104 25758 838 1 8 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.311 0.689 25758 839 1 8 . 1 1 25 25 LEU N N 25 110.600 110.600 115.922 -5.322 25758 840 1 8 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.310 0.100 25758 841 1 8 . 1 1 25 25 LEU CA C 25 55.800 55.800 56.000 -0.200 25758 842 1 8 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.944 1.756 25758 843 1 8 . 1 1 26 26 ASN N N 26 113.400 113.400 116.716 -3.316 25758 844 1 8 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.453 0.647 25758 845 1 8 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.396 -0.296 25758 846 1 8 . 1 1 27 27 LEU N N 27 117.000 117.000 119.124 -2.124 25758 847 1 8 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.303 0.097 25758 848 1 8 . 1 1 27 27 LEU CA C 27 55.100 55.100 56.242 -1.142 25758 849 1 8 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.544 -0.043 25758 850 1 8 . 1 1 28 28 CYS N N 28 118.600 118.600 114.913 3.687 25758 851 1 8 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.835 0.625 25758 852 1 8 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.757 -3.157 25758 853 1 8 . 1 1 29 29 LYS N N 29 118.300 118.300 123.460 -5.160 25758 854 1 8 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.355 -0.535 25758 855 1 8 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.885 1.315 25758 856 1 8 . 1 1 30 30 LYS N N 30 116.900 116.900 120.959 -4.059 25758 857 1 8 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.229 -0.079 25758 858 1 8 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.907 -0.207 25758 859 1 8 . 1 1 31 31 THR N N 31 123.600 123.600 116.484 7.116 25758 860 1 8 . 1 1 31 31 THR HA H 31 3.800 3.800 4.050 -0.250 25758 861 1 8 . 1 1 31 31 THR CA C 31 68.400 68.400 66.284 2.115 25758 862 1 8 . 1 1 31 31 THR CB C 31 67.800 67.800 68.907 -1.107 25758 863 1 8 . 1 1 32 32 CYS N N 32 113.600 113.600 117.298 -3.698 25758 864 1 8 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.348 0.492 25758 865 1 8 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.937 -6.237 25758 866 1 8 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.280 9.220 25758 867 1 8 . 1 1 33 33 GLY N N 33 109.700 109.700 108.632 1.068 25758 868 1 8 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.981 0.719 25758 869 1 8 . 1 1 34 34 THR N N 34 113.800 113.800 112.587 1.213 25758 870 1 8 . 1 1 34 34 THR HA H 34 4.320 4.320 4.436 -0.116 25758 871 1 8 . 1 1 34 34 THR CA C 34 62.600 62.600 61.455 1.145 25758 872 1 8 . 1 1 34 34 THR CB C 34 68.100 68.100 70.006 -1.906 25758 873 1 9 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.789 -0.039 25758 874 1 9 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.671 -3.671 25758 875 1 9 . 1 1 4 4 LYS N N 4 124.800 124.800 123.040 1.760 25758 876 1 9 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.597 -0.077 25758 877 1 9 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.338 -0.538 25758 878 1 9 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.432 -0.132 25758 879 1 9 . 1 1 5 5 ASP N N 5 120.600 120.600 118.701 1.899 25758 880 1 9 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.958 0.002 25758 881 1 9 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.237 0.963 25758 882 1 9 . 1 1 6 6 TYR N N 6 120.400 120.400 120.981 -0.581 25758 883 1 9 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.637 0.033 25758 884 1 9 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.164 0.036 25758 885 1 9 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.738 -0.638 25758 886 1 9 . 1 1 7 7 LEU N N 7 118.800 118.800 118.083 0.717 25758 887 1 9 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.644 0.206 25758 888 1 9 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.951 -0.151 25758 889 1 9 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.352 -0.852 25758 890 1 9 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.505 -0.025 25758 891 1 9 . 1 1 8 8 PRO CA C 8 62.300 62.300 62.691 -0.391 25758 892 1 9 . 1 1 9 9 LYS N N 9 122.700 122.700 118.971 3.729 25758 893 1 9 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.989 0.071 25758 894 1 9 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.441 3.259 25758 895 1 9 . 1 1 10 10 SER N N 10 111.000 111.000 112.474 -1.474 25758 896 1 9 . 1 1 10 10 SER HA H 10 4.030 4.030 4.401 -0.371 25758 897 1 9 . 1 1 10 10 SER CA C 10 59.300 59.300 60.461 -1.161 25758 898 1 9 . 1 1 10 10 SER CB C 10 62.100 62.100 62.698 -0.598 25758 899 1 9 . 1 1 11 11 GLU N N 11 117.800 117.800 121.031 -3.231 25758 900 1 9 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.316 0.074 25758 901 1 9 . 1 1 11 11 GLU CA C 11 58.100 58.100 58.537 -0.437 25758 902 1 9 . 1 1 12 12 CYS N N 12 120.300 120.300 117.356 2.944 25758 903 1 9 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.919 0.201 25758 904 1 9 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.389 -4.389 25758 905 1 9 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.592 11.908 25758 906 1 9 . 1 1 13 13 THR N N 13 109.800 109.800 115.730 -5.930 25758 907 1 9 . 1 1 13 13 THR HA H 13 4.490 4.490 4.597 -0.107 25758 908 1 9 . 1 1 13 13 THR CA C 13 59.000 59.000 60.068 -1.068 25758 909 1 9 . 1 1 13 13 THR CB C 13 70.900 70.900 72.039 -1.139 25758 910 1 9 . 1 1 14 14 GLN N N 14 120.800 120.800 122.938 -2.138 25758 911 1 9 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.272 -0.442 25758 912 1 9 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.725 0.375 25758 913 1 9 . 1 1 15 15 PHE N N 15 118.300 118.300 119.706 -1.406 25758 914 1 9 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.203 -0.053 25758 915 1 9 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.585 -0.285 25758 916 1 9 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.427 0.773 25758 917 1 9 . 1 1 16 16 ARG N N 16 121.000 121.000 119.135 1.865 25758 918 1 9 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.845 -0.255 25758 919 1 9 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.923 0.677 25758 920 1 9 . 1 1 17 17 CYS N N 17 115.200 115.200 115.671 -0.471 25758 921 1 9 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.549 -0.349 25758 922 1 9 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.908 -4.408 25758 923 1 9 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.084 9.816 25758 924 1 9 . 1 1 18 18 ARG N N 18 114.500 114.500 118.953 -4.453 25758 925 1 9 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.197 -0.067 25758 926 1 9 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.641 -0.641 25758 927 1 9 . 1 1 19 19 THR N N 19 106.000 106.000 109.749 -3.749 25758 928 1 9 . 1 1 19 19 THR HA H 19 4.310 4.310 4.327 -0.017 25758 929 1 9 . 1 1 19 19 THR CA C 19 61.800 61.800 62.851 -1.051 25758 930 1 9 . 1 1 19 19 THR CB C 19 71.200 71.200 69.830 1.370 25758 931 1 9 . 1 1 20 20 SER N N 20 117.000 117.000 117.300 -0.300 25758 932 1 9 . 1 1 20 20 SER HA H 20 5.060 5.060 4.656 0.404 25758 933 1 9 . 1 1 20 20 SER CA C 20 56.100 56.100 57.267 -1.167 25758 934 1 9 . 1 1 20 20 SER CB C 20 63.200 63.200 63.762 -0.562 25758 935 1 9 . 1 1 21 21 MET N N 21 125.400 125.400 128.920 -3.520 25758 936 1 9 . 1 1 21 21 MET HA H 21 4.150 4.150 4.246 -0.096 25758 937 1 9 . 1 1 21 21 MET CA C 21 58.700 58.700 59.010 -0.310 25758 938 1 9 . 1 1 21 21 MET CB C 21 32.300 32.300 32.755 -0.455 25758 939 1 9 . 1 1 22 22 LYS N N 22 119.500 119.500 119.500 0.000 25758 940 1 9 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.953 0.157 25758 941 1 9 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.708 -0.507 25758 942 1 9 . 1 1 23 23 TYR N N 23 118.900 118.900 117.494 1.406 25758 943 1 9 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.146 -0.106 25758 944 1 9 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.761 -1.561 25758 945 1 9 . 1 1 24 24 ARG N N 24 117.400 117.400 117.953 -0.553 25758 946 1 9 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.038 0.032 25758 947 1 9 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.037 0.963 25758 948 1 9 . 1 1 25 25 LEU N N 25 110.600 110.600 116.872 -6.272 25758 949 1 9 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.292 0.118 25758 950 1 9 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.843 -0.043 25758 951 1 9 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.698 2.002 25758 952 1 9 . 1 1 26 26 ASN N N 26 113.400 113.400 116.215 -2.815 25758 953 1 9 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.368 0.732 25758 954 1 9 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.784 -0.684 25758 955 1 9 . 1 1 27 27 LEU N N 27 117.000 117.000 119.624 -2.624 25758 956 1 9 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.373 0.027 25758 957 1 9 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.293 -0.193 25758 958 1 9 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.502 -0.002 25758 959 1 9 . 1 1 28 28 CYS N N 28 118.600 118.600 115.372 3.228 25758 960 1 9 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.730 0.730 25758 961 1 9 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.349 -3.749 25758 962 1 9 . 1 1 29 29 LYS N N 29 118.300 118.300 124.005 -5.705 25758 963 1 9 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.341 -0.521 25758 964 1 9 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.887 1.313 25758 965 1 9 . 1 1 30 30 LYS N N 30 116.900 116.900 120.868 -3.968 25758 966 1 9 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.221 -0.071 25758 967 1 9 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.973 -0.273 25758 968 1 9 . 1 1 31 31 THR N N 31 123.600 123.600 116.972 6.628 25758 969 1 9 . 1 1 31 31 THR HA H 31 3.800 3.800 4.062 -0.262 25758 970 1 9 . 1 1 31 31 THR CA C 31 68.400 68.400 66.798 1.602 25758 971 1 9 . 1 1 31 31 THR CB C 31 67.800 67.800 68.725 -0.925 25758 972 1 9 . 1 1 32 32 CYS N N 32 113.600 113.600 117.416 -3.816 25758 973 1 9 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.341 0.499 25758 974 1 9 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.961 -6.261 25758 975 1 9 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.204 9.296 25758 976 1 9 . 1 1 33 33 GLY N N 33 109.700 109.700 108.691 1.009 25758 977 1 9 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.108 0.592 25758 978 1 9 . 1 1 34 34 THR N N 34 113.800 113.800 112.967 0.833 25758 979 1 9 . 1 1 34 34 THR HA H 34 4.320 4.320 4.439 -0.119 25758 980 1 9 . 1 1 34 34 THR CA C 34 62.600 62.600 61.513 1.087 25758 981 1 9 . 1 1 34 34 THR CB C 34 68.100 68.100 69.962 -1.862 25758 982 1 10 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.611 0.139 25758 983 1 10 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.946 -3.946 25758 984 1 10 . 1 1 4 4 LYS N N 4 124.800 124.800 121.704 3.096 25758 985 1 10 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.590 -0.070 25758 986 1 10 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.236 -0.436 25758 987 1 10 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.119 -0.819 25758 988 1 10 . 1 1 5 5 ASP N N 5 120.600 120.600 118.468 2.132 25758 989 1 10 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.981 -0.021 25758 990 1 10 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.345 0.855 25758 991 1 10 . 1 1 6 6 TYR N N 6 120.400 120.400 120.303 0.097 25758 992 1 10 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.659 0.011 25758 993 1 10 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.313 -0.113 25758 994 1 10 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.955 -0.855 25758 995 1 10 . 1 1 7 7 LEU N N 7 118.800 118.800 118.572 0.228 25758 996 1 10 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.761 0.089 25758 997 1 10 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.740 0.060 25758 998 1 10 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.667 -1.167 25758 999 1 10 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.800 -0.320 25758 1000 1 10 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.855 0.445 25758 1001 1 10 . 1 1 9 9 LYS N N 9 122.700 122.700 119.443 3.257 25758 1002 1 10 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.997 0.063 25758 1003 1 10 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.654 3.046 25758 1004 1 10 . 1 1 10 10 SER N N 10 111.000 111.000 112.441 -1.441 25758 1005 1 10 . 1 1 10 10 SER HA H 10 4.030 4.030 4.377 -0.347 25758 1006 1 10 . 1 1 10 10 SER CA C 10 59.300 59.300 60.068 -0.768 25758 1007 1 10 . 1 1 10 10 SER CB C 10 62.100 62.100 62.726 -0.626 25758 1008 1 10 . 1 1 11 11 GLU N N 11 117.800 117.800 119.103 -1.303 25758 1009 1 10 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.585 -0.195 25758 1010 1 10 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.777 0.323 25758 1011 1 10 . 1 1 12 12 CYS N N 12 120.300 120.300 119.249 1.051 25758 1012 1 10 . 1 1 12 12 CYS HA H 12 5.120 5.120 5.089 0.031 25758 1013 1 10 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.063 -4.063 25758 1014 1 10 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.298 11.202 25758 1015 1 10 . 1 1 13 13 THR N N 13 109.800 109.800 114.762 -4.962 25758 1016 1 10 . 1 1 13 13 THR HA H 13 4.490 4.490 4.749 -0.259 25758 1017 1 10 . 1 1 13 13 THR CA C 13 59.000 59.000 60.230 -1.230 25758 1018 1 10 . 1 1 13 13 THR CB C 13 70.900 70.900 71.788 -0.888 25758 1019 1 10 . 1 1 14 14 GLN N N 14 120.800 120.800 122.884 -2.084 25758 1020 1 10 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.242 -0.412 25758 1021 1 10 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.999 -0.899 25758 1022 1 10 . 1 1 15 15 PHE N N 15 118.300 118.300 118.951 -0.651 25758 1023 1 10 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.183 -0.033 25758 1024 1 10 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.537 -0.237 25758 1025 1 10 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.562 0.638 25758 1026 1 10 . 1 1 16 16 ARG N N 16 121.000 121.000 119.091 1.909 25758 1027 1 10 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.798 -0.208 25758 1028 1 10 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.920 0.680 25758 1029 1 10 . 1 1 17 17 CYS N N 17 115.200 115.200 115.829 -0.629 25758 1030 1 10 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.536 -0.336 25758 1031 1 10 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.184 -4.684 25758 1032 1 10 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.250 9.650 25758 1033 1 10 . 1 1 18 18 ARG N N 18 114.500 114.500 118.802 -4.302 25758 1034 1 10 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.117 0.013 25758 1035 1 10 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.813 -0.813 25758 1036 1 10 . 1 1 19 19 THR N N 19 106.000 106.000 109.886 -3.886 25758 1037 1 10 . 1 1 19 19 THR HA H 19 4.310 4.310 4.315 -0.005 25758 1038 1 10 . 1 1 19 19 THR CA C 19 61.800 61.800 62.564 -0.764 25758 1039 1 10 . 1 1 19 19 THR CB C 19 71.200 71.200 69.655 1.545 25758 1040 1 10 . 1 1 20 20 SER N N 20 117.000 117.000 116.809 0.191 25758 1041 1 10 . 1 1 20 20 SER HA H 20 5.060 5.060 4.686 0.374 25758 1042 1 10 . 1 1 20 20 SER CA C 20 56.100 56.100 57.064 -0.964 25758 1043 1 10 . 1 1 20 20 SER CB C 20 63.200 63.200 64.154 -0.954 25758 1044 1 10 . 1 1 21 21 MET N N 21 125.400 125.400 128.340 -2.940 25758 1045 1 10 . 1 1 21 21 MET HA H 21 4.150 4.150 4.266 -0.116 25758 1046 1 10 . 1 1 21 21 MET CA C 21 58.700 58.700 58.689 0.011 25758 1047 1 10 . 1 1 21 21 MET CB C 21 32.300 32.300 32.606 -0.306 25758 1048 1 10 . 1 1 22 22 LYS N N 22 119.500 119.500 119.624 -0.124 25758 1049 1 10 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.900 0.210 25758 1050 1 10 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.803 -0.603 25758 1051 1 10 . 1 1 23 23 TYR N N 23 118.900 118.900 116.954 1.946 25758 1052 1 10 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.146 -0.105 25758 1053 1 10 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.727 -1.526 25758 1054 1 10 . 1 1 24 24 ARG N N 24 117.400 117.400 118.078 -0.678 25758 1055 1 10 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.073 -0.003 25758 1056 1 10 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.981 1.019 25758 1057 1 10 . 1 1 25 25 LEU N N 25 110.600 110.600 116.530 -5.930 25758 1058 1 10 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.309 0.101 25758 1059 1 10 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.718 0.082 25758 1060 1 10 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.873 1.827 25758 1061 1 10 . 1 1 26 26 ASN N N 26 113.400 113.400 116.394 -2.994 25758 1062 1 10 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.366 0.734 25758 1063 1 10 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.756 -0.656 25758 1064 1 10 . 1 1 27 27 LEU N N 27 117.000 117.000 119.344 -2.344 25758 1065 1 10 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.356 0.044 25758 1066 1 10 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.331 -0.231 25758 1067 1 10 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.030 0.470 25758 1068 1 10 . 1 1 28 28 CYS N N 28 118.600 118.600 116.028 2.572 25758 1069 1 10 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.808 0.652 25758 1070 1 10 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.075 -3.475 25758 1071 1 10 . 1 1 29 29 LYS N N 29 118.300 118.300 124.570 -6.270 25758 1072 1 10 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.386 -0.566 25758 1073 1 10 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.408 1.792 25758 1074 1 10 . 1 1 30 30 LYS N N 30 116.900 116.900 121.104 -4.204 25758 1075 1 10 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.334 -0.184 25758 1076 1 10 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.816 -0.115 25758 1077 1 10 . 1 1 31 31 THR N N 31 123.600 123.600 116.341 7.259 25758 1078 1 10 . 1 1 31 31 THR HA H 31 3.800 3.800 4.110 -0.310 25758 1079 1 10 . 1 1 31 31 THR CA C 31 68.400 68.400 66.339 2.061 25758 1080 1 10 . 1 1 31 31 THR CB C 31 67.800 67.800 68.816 -1.016 25758 1081 1 10 . 1 1 32 32 CYS N N 32 113.600 113.600 117.588 -3.988 25758 1082 1 10 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.351 0.489 25758 1083 1 10 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.958 -6.258 25758 1084 1 10 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.172 9.328 25758 1085 1 10 . 1 1 33 33 GLY N N 33 109.700 109.700 109.469 0.231 25758 1086 1 10 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.982 0.718 25758 1087 1 10 . 1 1 34 34 THR N N 34 113.800 113.800 111.264 2.536 25758 1088 1 10 . 1 1 34 34 THR HA H 34 4.320 4.320 4.369 -0.049 25758 1089 1 10 . 1 1 34 34 THR CA C 34 62.600 62.600 62.663 -0.063 25758 1090 1 10 . 1 1 34 34 THR CB C 34 68.100 68.100 69.996 -1.896 25758 1091 1 11 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.775 -0.025 25758 1092 1 11 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.124 -4.124 25758 1093 1 11 . 1 1 4 4 LYS N N 4 124.800 124.800 122.947 1.853 25758 1094 1 11 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.504 0.016 25758 1095 1 11 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.628 -0.828 25758 1096 1 11 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.903 -0.603 25758 1097 1 11 . 1 1 5 5 ASP N N 5 120.600 120.600 118.280 2.320 25758 1098 1 11 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.962 -0.002 25758 1099 1 11 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.595 0.605 25758 1100 1 11 . 1 1 6 6 TYR N N 6 120.400 120.400 120.618 -0.218 25758 1101 1 11 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.631 0.039 25758 1102 1 11 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.428 -0.228 25758 1103 1 11 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.825 -0.725 25758 1104 1 11 . 1 1 7 7 LEU N N 7 118.800 118.800 117.946 0.854 25758 1105 1 11 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.716 0.134 25758 1106 1 11 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.785 0.015 25758 1107 1 11 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.350 -0.850 25758 1108 1 11 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.500 -0.020 25758 1109 1 11 . 1 1 8 8 PRO CA C 8 62.300 62.300 62.787 -0.487 25758 1110 1 11 . 1 1 9 9 LYS N N 9 122.700 122.700 118.402 4.298 25758 1111 1 11 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.998 0.062 25758 1112 1 11 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.380 3.320 25758 1113 1 11 . 1 1 10 10 SER N N 10 111.000 111.000 112.911 -1.911 25758 1114 1 11 . 1 1 10 10 SER HA H 10 4.030 4.030 4.342 -0.312 25758 1115 1 11 . 1 1 10 10 SER CA C 10 59.300 59.300 60.461 -1.161 25758 1116 1 11 . 1 1 10 10 SER CB C 10 62.100 62.100 62.899 -0.799 25758 1117 1 11 . 1 1 11 11 GLU N N 11 117.800 117.800 120.589 -2.789 25758 1118 1 11 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.304 0.086 25758 1119 1 11 . 1 1 11 11 GLU CA C 11 58.100 58.100 58.641 -0.541 25758 1120 1 11 . 1 1 12 12 CYS N N 12 120.300 120.300 117.968 2.332 25758 1121 1 11 . 1 1 12 12 CYS HA H 12 5.120 5.120 5.015 0.105 25758 1122 1 11 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.078 -4.079 25758 1123 1 11 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.283 11.217 25758 1124 1 11 . 1 1 13 13 THR N N 13 109.800 109.800 114.562 -4.762 25758 1125 1 11 . 1 1 13 13 THR HA H 13 4.490 4.490 4.785 -0.295 25758 1126 1 11 . 1 1 13 13 THR CA C 13 59.000 59.000 60.185 -1.185 25758 1127 1 11 . 1 1 13 13 THR CB C 13 70.900 70.900 71.743 -0.842 25758 1128 1 11 . 1 1 14 14 GLN N N 14 120.800 120.800 123.035 -2.235 25758 1129 1 11 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.284 -0.454 25758 1130 1 11 . 1 1 14 14 GLN CA C 14 59.100 59.100 60.003 -0.903 25758 1131 1 11 . 1 1 15 15 PHE N N 15 118.300 118.300 118.937 -0.637 25758 1132 1 11 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.178 -0.028 25758 1133 1 11 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.515 -0.215 25758 1134 1 11 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.557 0.643 25758 1135 1 11 . 1 1 16 16 ARG N N 16 121.000 121.000 119.313 1.687 25758 1136 1 11 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.844 -0.254 25758 1137 1 11 . 1 1 16 16 ARG CA C 16 59.600 59.600 59.012 0.588 25758 1138 1 11 . 1 1 17 17 CYS N N 17 115.200 115.200 116.033 -0.833 25758 1139 1 11 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.509 -0.309 25758 1140 1 11 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.705 -4.205 25758 1141 1 11 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.139 9.761 25758 1142 1 11 . 1 1 18 18 ARG N N 18 114.500 114.500 118.896 -4.396 25758 1143 1 11 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.139 -0.009 25758 1144 1 11 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.793 -0.793 25758 1145 1 11 . 1 1 19 19 THR N N 19 106.000 106.000 110.223 -4.223 25758 1146 1 11 . 1 1 19 19 THR HA H 19 4.310 4.310 4.315 -0.005 25758 1147 1 11 . 1 1 19 19 THR CA C 19 61.800 61.800 62.702 -0.902 25758 1148 1 11 . 1 1 19 19 THR CB C 19 71.200 71.200 69.737 1.463 25758 1149 1 11 . 1 1 20 20 SER N N 20 117.000 117.000 117.503 -0.503 25758 1150 1 11 . 1 1 20 20 SER HA H 20 5.060 5.060 4.621 0.439 25758 1151 1 11 . 1 1 20 20 SER CA C 20 56.100 56.100 56.803 -0.704 25758 1152 1 11 . 1 1 20 20 SER CB C 20 63.200 63.200 63.731 -0.531 25758 1153 1 11 . 1 1 21 21 MET N N 21 125.400 125.400 128.575 -3.175 25758 1154 1 11 . 1 1 21 21 MET HA H 21 4.150 4.150 4.286 -0.136 25758 1155 1 11 . 1 1 21 21 MET CA C 21 58.700 58.700 58.842 -0.142 25758 1156 1 11 . 1 1 21 21 MET CB C 21 32.300 32.300 32.675 -0.375 25758 1157 1 11 . 1 1 22 22 LYS N N 22 119.500 119.500 119.549 -0.049 25758 1158 1 11 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.957 0.153 25758 1159 1 11 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.369 -0.169 25758 1160 1 11 . 1 1 23 23 TYR N N 23 118.900 118.900 117.634 1.266 25758 1161 1 11 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.088 -0.048 25758 1162 1 11 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.933 -1.733 25758 1163 1 11 . 1 1 24 24 ARG N N 24 117.400 117.400 117.956 -0.556 25758 1164 1 11 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.060 0.010 25758 1165 1 11 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.981 1.019 25758 1166 1 11 . 1 1 25 25 LEU N N 25 110.600 110.600 116.548 -5.948 25758 1167 1 11 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.300 0.110 25758 1168 1 11 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.836 -0.036 25758 1169 1 11 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.858 1.842 25758 1170 1 11 . 1 1 26 26 ASN N N 26 113.400 113.400 116.641 -3.241 25758 1171 1 11 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.416 0.684 25758 1172 1 11 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.608 -0.508 25758 1173 1 11 . 1 1 27 27 LEU N N 27 117.000 117.000 119.112 -2.112 25758 1174 1 11 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.339 0.061 25758 1175 1 11 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.677 -0.577 25758 1176 1 11 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.179 0.321 25758 1177 1 11 . 1 1 28 28 CYS N N 28 118.600 118.600 115.578 3.022 25758 1178 1 11 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.828 0.632 25758 1179 1 11 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.970 -3.370 25758 1180 1 11 . 1 1 29 29 LYS N N 29 118.300 118.300 124.113 -5.813 25758 1181 1 11 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.281 -0.461 25758 1182 1 11 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.643 1.557 25758 1183 1 11 . 1 1 30 30 LYS N N 30 116.900 116.900 120.032 -3.132 25758 1184 1 11 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.137 0.013 25758 1185 1 11 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.169 -0.469 25758 1186 1 11 . 1 1 31 31 THR N N 31 123.600 123.600 116.967 6.633 25758 1187 1 11 . 1 1 31 31 THR HA H 31 3.800 3.800 4.020 -0.220 25758 1188 1 11 . 1 1 31 31 THR CA C 31 68.400 68.400 66.281 2.119 25758 1189 1 11 . 1 1 31 31 THR CB C 31 67.800 67.800 68.828 -1.028 25758 1190 1 11 . 1 1 32 32 CYS N N 32 113.600 113.600 117.303 -3.703 25758 1191 1 11 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.366 0.474 25758 1192 1 11 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.771 -6.071 25758 1193 1 11 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.581 8.919 25758 1194 1 11 . 1 1 33 33 GLY N N 33 109.700 109.700 109.628 0.072 25758 1195 1 11 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.014 0.687 25758 1196 1 11 . 1 1 34 34 THR N N 34 113.800 113.800 111.898 1.902 25758 1197 1 11 . 1 1 34 34 THR HA H 34 4.320 4.320 4.353 -0.033 25758 1198 1 11 . 1 1 34 34 THR CA C 34 62.600 62.600 62.142 0.458 25758 1199 1 11 . 1 1 34 34 THR CB C 34 68.100 68.100 69.671 -1.571 25758 1200 1 12 . 1 1 3 3 CYS HA H 3 4.750 4.750 5.165 -0.415 25758 1201 1 12 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.971 -2.970 25758 1202 1 12 . 1 1 4 4 LYS N N 4 124.800 124.800 123.955 0.845 25758 1203 1 12 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.658 -0.138 25758 1204 1 12 . 1 1 4 4 LYS CA C 4 54.800 54.800 54.644 0.156 25758 1205 1 12 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.396 -1.096 25758 1206 1 12 . 1 1 5 5 ASP N N 5 120.600 120.600 118.424 2.176 25758 1207 1 12 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.922 0.038 25758 1208 1 12 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.400 0.800 25758 1209 1 12 . 1 1 6 6 TYR N N 6 120.400 120.400 122.215 -1.815 25758 1210 1 12 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.510 0.160 25758 1211 1 12 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.152 -0.952 25758 1212 1 12 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.785 -0.685 25758 1213 1 12 . 1 1 7 7 LEU N N 7 118.800 118.800 118.857 -0.057 25758 1214 1 12 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.682 0.168 25758 1215 1 12 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.311 0.489 25758 1216 1 12 . 1 1 7 7 LEU CB C 7 43.500 43.500 45.019 -1.519 25758 1217 1 12 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.774 -0.294 25758 1218 1 12 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.773 0.527 25758 1219 1 12 . 1 1 9 9 LYS N N 9 122.700 122.700 119.580 3.120 25758 1220 1 12 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.988 0.072 25758 1221 1 12 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.413 3.287 25758 1222 1 12 . 1 1 10 10 SER N N 10 111.000 111.000 111.707 -0.707 25758 1223 1 12 . 1 1 10 10 SER HA H 10 4.030 4.030 4.377 -0.347 25758 1224 1 12 . 1 1 10 10 SER CA C 10 59.300 59.300 59.780 -0.480 25758 1225 1 12 . 1 1 10 10 SER CB C 10 62.100 62.100 62.987 -0.887 25758 1226 1 12 . 1 1 11 11 GLU N N 11 117.800 117.800 119.521 -1.721 25758 1227 1 12 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.519 -0.129 25758 1228 1 12 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.863 0.237 25758 1229 1 12 . 1 1 12 12 CYS N N 12 120.300 120.300 120.556 -0.256 25758 1230 1 12 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.912 0.208 25758 1231 1 12 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.622 -6.622 25758 1232 1 12 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.920 10.580 25758 1233 1 12 . 1 1 13 13 THR N N 13 109.800 109.800 117.416 -7.616 25758 1234 1 12 . 1 1 13 13 THR HA H 13 4.490 4.490 4.853 -0.363 25758 1235 1 12 . 1 1 13 13 THR CA C 13 59.000 59.000 60.400 -1.400 25758 1236 1 12 . 1 1 13 13 THR CB C 13 70.900 70.900 71.808 -0.909 25758 1237 1 12 . 1 1 14 14 GLN N N 14 120.800 120.800 123.515 -2.715 25758 1238 1 12 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.314 -0.484 25758 1239 1 12 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.895 -0.795 25758 1240 1 12 . 1 1 15 15 PHE N N 15 118.300 118.300 118.972 -0.672 25758 1241 1 12 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.181 -0.031 25758 1242 1 12 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.472 -0.172 25758 1243 1 12 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.578 0.622 25758 1244 1 12 . 1 1 16 16 ARG N N 16 121.000 121.000 120.169 0.831 25758 1245 1 12 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.952 -0.362 25758 1246 1 12 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.721 0.879 25758 1247 1 12 . 1 1 17 17 CYS N N 17 115.200 115.200 115.791 -0.591 25758 1248 1 12 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.373 -0.173 25758 1249 1 12 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.776 -4.276 25758 1250 1 12 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.107 9.793 25758 1251 1 12 . 1 1 18 18 ARG N N 18 114.500 114.500 118.629 -4.129 25758 1252 1 12 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.158 -0.028 25758 1253 1 12 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.772 -0.772 25758 1254 1 12 . 1 1 19 19 THR N N 19 106.000 106.000 109.670 -3.670 25758 1255 1 12 . 1 1 19 19 THR HA H 19 4.310 4.310 4.327 -0.017 25758 1256 1 12 . 1 1 19 19 THR CA C 19 61.800 61.800 62.690 -0.889 25758 1257 1 12 . 1 1 19 19 THR CB C 19 71.200 71.200 69.648 1.552 25758 1258 1 12 . 1 1 20 20 SER N N 20 117.000 117.000 118.927 -1.927 25758 1259 1 12 . 1 1 20 20 SER HA H 20 5.060 5.060 4.674 0.386 25758 1260 1 12 . 1 1 20 20 SER CA C 20 56.100 56.100 58.259 -2.159 25758 1261 1 12 . 1 1 20 20 SER CB C 20 63.200 63.200 63.960 -0.760 25758 1262 1 12 . 1 1 21 21 MET N N 21 125.400 125.400 126.796 -1.396 25758 1263 1 12 . 1 1 21 21 MET HA H 21 4.150 4.150 4.231 -0.081 25758 1264 1 12 . 1 1 21 21 MET CA C 21 58.700 58.700 59.298 -0.598 25758 1265 1 12 . 1 1 21 21 MET CB C 21 32.300 32.300 32.825 -0.525 25758 1266 1 12 . 1 1 22 22 LYS N N 22 119.500 119.500 119.178 0.322 25758 1267 1 12 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.974 0.136 25758 1268 1 12 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.164 0.036 25758 1269 1 12 . 1 1 23 23 TYR N N 23 118.900 118.900 117.426 1.474 25758 1270 1 12 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.282 -0.242 25758 1271 1 12 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.804 -1.604 25758 1272 1 12 . 1 1 24 24 ARG N N 24 117.400 117.400 119.187 -1.787 25758 1273 1 12 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.084 -0.014 25758 1274 1 12 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.283 0.717 25758 1275 1 12 . 1 1 25 25 LEU N N 25 110.600 110.600 115.851 -5.251 25758 1276 1 12 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.278 0.132 25758 1277 1 12 . 1 1 25 25 LEU CA C 25 55.800 55.800 56.257 -0.457 25758 1278 1 12 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.883 0.817 25758 1279 1 12 . 1 1 26 26 ASN N N 26 113.400 113.400 115.864 -2.464 25758 1280 1 12 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.453 0.647 25758 1281 1 12 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.611 -0.511 25758 1282 1 12 . 1 1 27 27 LEU N N 27 117.000 117.000 118.569 -1.569 25758 1283 1 12 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.409 -0.009 25758 1284 1 12 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.927 -0.827 25758 1285 1 12 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.755 -0.256 25758 1286 1 12 . 1 1 28 28 CYS N N 28 118.600 118.600 115.666 2.934 25758 1287 1 12 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.758 0.702 25758 1288 1 12 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.974 -3.373 25758 1289 1 12 . 1 1 29 29 LYS N N 29 118.300 118.300 124.243 -5.943 25758 1290 1 12 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.348 -0.528 25758 1291 1 12 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.686 1.514 25758 1292 1 12 . 1 1 30 30 LYS N N 30 116.900 116.900 120.438 -3.538 25758 1293 1 12 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.198 -0.048 25758 1294 1 12 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.861 -0.161 25758 1295 1 12 . 1 1 31 31 THR N N 31 123.600 123.600 116.371 7.229 25758 1296 1 12 . 1 1 31 31 THR HA H 31 3.800 3.800 4.053 -0.253 25758 1297 1 12 . 1 1 31 31 THR CA C 31 68.400 68.400 66.285 2.115 25758 1298 1 12 . 1 1 31 31 THR CB C 31 67.800 67.800 68.882 -1.082 25758 1299 1 12 . 1 1 32 32 CYS N N 32 113.600 113.600 117.518 -3.918 25758 1300 1 12 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.340 0.500 25758 1301 1 12 . 1 1 32 32 CYS CA C 32 52.700 52.700 59.036 -6.336 25758 1302 1 12 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.218 9.282 25758 1303 1 12 . 1 1 33 33 GLY N N 33 109.700 109.700 108.480 1.220 25758 1304 1 12 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.094 0.606 25758 1305 1 12 . 1 1 34 34 THR N N 34 113.800 113.800 112.597 1.203 25758 1306 1 12 . 1 1 34 34 THR HA H 34 4.320 4.320 4.457 -0.137 25758 1307 1 12 . 1 1 34 34 THR CA C 34 62.600 62.600 61.928 0.671 25758 1308 1 12 . 1 1 34 34 THR CB C 34 68.100 68.100 70.168 -2.068 25758 1309 1 13 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.513 0.237 25758 1310 1 13 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.973 -3.973 25758 1311 1 13 . 1 1 4 4 LYS N N 4 124.800 124.800 124.793 0.007 25758 1312 1 13 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.650 -0.130 25758 1313 1 13 . 1 1 4 4 LYS CA C 4 54.800 54.800 54.893 -0.093 25758 1314 1 13 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.432 -1.132 25758 1315 1 13 . 1 1 5 5 ASP N N 5 120.600 120.600 118.302 2.298 25758 1316 1 13 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.951 0.009 25758 1317 1 13 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.456 0.744 25758 1318 1 13 . 1 1 6 6 TYR N N 6 120.400 120.400 121.348 -0.948 25758 1319 1 13 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.686 -0.016 25758 1320 1 13 . 1 1 6 6 TYR CA C 6 58.200 58.200 57.962 0.239 25758 1321 1 13 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.833 -0.733 25758 1322 1 13 . 1 1 7 7 LEU N N 7 118.800 118.800 118.105 0.695 25758 1323 1 13 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.658 0.192 25758 1324 1 13 . 1 1 7 7 LEU CA C 7 51.800 51.800 52.042 -0.242 25758 1325 1 13 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.280 -0.780 25758 1326 1 13 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.483 -0.003 25758 1327 1 13 . 1 1 8 8 PRO CA C 8 62.300 62.300 62.846 -0.546 25758 1328 1 13 . 1 1 9 9 LYS N N 9 122.700 122.700 118.593 4.107 25758 1329 1 13 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.989 0.071 25758 1330 1 13 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.327 3.373 25758 1331 1 13 . 1 1 10 10 SER N N 10 111.000 111.000 113.018 -2.018 25758 1332 1 13 . 1 1 10 10 SER HA H 10 4.030 4.030 4.343 -0.313 25758 1333 1 13 . 1 1 10 10 SER CA C 10 59.300 59.300 60.263 -0.963 25758 1334 1 13 . 1 1 10 10 SER CB C 10 62.100 62.100 62.888 -0.788 25758 1335 1 13 . 1 1 11 11 GLU N N 11 117.800 117.800 120.658 -2.858 25758 1336 1 13 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.310 0.080 25758 1337 1 13 . 1 1 11 11 GLU CA C 11 58.100 58.100 58.529 -0.429 25758 1338 1 13 . 1 1 12 12 CYS N N 12 120.300 120.300 117.567 2.733 25758 1339 1 13 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.879 0.241 25758 1340 1 13 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.522 -4.522 25758 1341 1 13 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.671 11.829 25758 1342 1 13 . 1 1 13 13 THR N N 13 109.800 109.800 116.043 -6.243 25758 1343 1 13 . 1 1 13 13 THR HA H 13 4.490 4.490 4.618 -0.128 25758 1344 1 13 . 1 1 13 13 THR CA C 13 59.000 59.000 60.037 -1.037 25758 1345 1 13 . 1 1 13 13 THR CB C 13 70.900 70.900 71.643 -0.743 25758 1346 1 13 . 1 1 14 14 GLN N N 14 120.800 120.800 123.247 -2.447 25758 1347 1 13 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.265 -0.435 25758 1348 1 13 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.852 0.248 25758 1349 1 13 . 1 1 15 15 PHE N N 15 118.300 118.300 119.716 -1.416 25758 1350 1 13 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.193 -0.043 25758 1351 1 13 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.581 -0.281 25758 1352 1 13 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.413 0.787 25758 1353 1 13 . 1 1 16 16 ARG N N 16 121.000 121.000 119.025 1.975 25758 1354 1 13 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.839 -0.249 25758 1355 1 13 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.816 0.784 25758 1356 1 13 . 1 1 17 17 CYS N N 17 115.200 115.200 116.859 -1.659 25758 1357 1 13 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.347 -0.147 25758 1358 1 13 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.715 -5.215 25758 1359 1 13 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.026 9.874 25758 1360 1 13 . 1 1 18 18 ARG N N 18 114.500 114.500 117.935 -3.435 25758 1361 1 13 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.151 -0.021 25758 1362 1 13 . 1 1 18 18 ARG CA C 18 58.000 58.000 59.158 -1.158 25758 1363 1 13 . 1 1 19 19 THR N N 19 106.000 106.000 110.050 -4.050 25758 1364 1 13 . 1 1 19 19 THR HA H 19 4.310 4.310 4.359 -0.049 25758 1365 1 13 . 1 1 19 19 THR CA C 19 61.800 61.800 63.031 -1.231 25758 1366 1 13 . 1 1 19 19 THR CB C 19 71.200 71.200 69.853 1.347 25758 1367 1 13 . 1 1 20 20 SER N N 20 117.000 117.000 119.106 -2.106 25758 1368 1 13 . 1 1 20 20 SER HA H 20 5.060 5.060 4.624 0.436 25758 1369 1 13 . 1 1 20 20 SER CA C 20 56.100 56.100 57.805 -1.705 25758 1370 1 13 . 1 1 20 20 SER CB C 20 63.200 63.200 63.858 -0.658 25758 1371 1 13 . 1 1 21 21 MET N N 21 125.400 125.400 127.666 -2.266 25758 1372 1 13 . 1 1 21 21 MET HA H 21 4.150 4.150 4.206 -0.056 25758 1373 1 13 . 1 1 21 21 MET CA C 21 58.700 58.700 59.497 -0.797 25758 1374 1 13 . 1 1 21 21 MET CB C 21 32.300 32.300 32.689 -0.389 25758 1375 1 13 . 1 1 22 22 LYS N N 22 119.500 119.500 119.691 -0.191 25758 1376 1 13 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.952 0.158 25758 1377 1 13 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.514 -0.314 25758 1378 1 13 . 1 1 23 23 TYR N N 23 118.900 118.900 117.708 1.192 25758 1379 1 13 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.170 -0.130 25758 1380 1 13 . 1 1 23 23 TYR CA C 23 60.200 60.200 62.032 -1.832 25758 1381 1 13 . 1 1 24 24 ARG N N 24 117.400 117.400 118.229 -0.829 25758 1382 1 13 . 1 1 24 24 ARG HA H 24 4.070 4.070 3.885 0.185 25758 1383 1 13 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.559 0.441 25758 1384 1 13 . 1 1 25 25 LEU N N 25 110.600 110.600 116.306 -5.706 25758 1385 1 13 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.292 0.118 25758 1386 1 13 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.580 0.220 25758 1387 1 13 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.019 1.681 25758 1388 1 13 . 1 1 26 26 ASN N N 26 113.400 113.400 116.157 -2.757 25758 1389 1 13 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.405 0.695 25758 1390 1 13 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.531 -0.431 25758 1391 1 13 . 1 1 27 27 LEU N N 27 117.000 117.000 119.554 -2.554 25758 1392 1 13 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.425 -0.025 25758 1393 1 13 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.855 -0.755 25758 1394 1 13 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.285 0.215 25758 1395 1 13 . 1 1 28 28 CYS N N 28 118.600 118.600 115.804 2.796 25758 1396 1 13 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.664 0.796 25758 1397 1 13 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.288 -3.688 25758 1398 1 13 . 1 1 29 29 LYS N N 29 118.300 118.300 123.726 -5.426 25758 1399 1 13 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.435 -0.615 25758 1400 1 13 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.728 1.472 25758 1401 1 13 . 1 1 30 30 LYS N N 30 116.900 116.900 121.108 -4.208 25758 1402 1 13 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.213 -0.063 25758 1403 1 13 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.958 -0.258 25758 1404 1 13 . 1 1 31 31 THR N N 31 123.600 123.600 116.725 6.875 25758 1405 1 13 . 1 1 31 31 THR HA H 31 3.800 3.800 4.045 -0.245 25758 1406 1 13 . 1 1 31 31 THR CA C 31 68.400 68.400 66.263 2.137 25758 1407 1 13 . 1 1 31 31 THR CB C 31 67.800 67.800 68.893 -1.093 25758 1408 1 13 . 1 1 32 32 CYS N N 32 113.600 113.600 117.610 -4.010 25758 1409 1 13 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.336 0.504 25758 1410 1 13 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.988 -6.288 25758 1411 1 13 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.265 9.235 25758 1412 1 13 . 1 1 33 33 GLY N N 33 109.700 109.700 108.475 1.225 25758 1413 1 13 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.057 0.643 25758 1414 1 13 . 1 1 34 34 THR N N 34 113.800 113.800 112.686 1.114 25758 1415 1 13 . 1 1 34 34 THR HA H 34 4.320 4.320 4.426 -0.106 25758 1416 1 13 . 1 1 34 34 THR CA C 34 62.600 62.600 61.804 0.796 25758 1417 1 13 . 1 1 34 34 THR CB C 34 68.100 68.100 70.121 -2.021 25758 1418 1 14 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.889 -0.139 25758 1419 1 14 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.546 -2.546 25758 1420 1 14 . 1 1 4 4 LYS N N 4 124.800 124.800 121.261 3.539 25758 1421 1 14 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.461 0.059 25758 1422 1 14 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.501 -0.701 25758 1423 1 14 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.104 0.196 25758 1424 1 14 . 1 1 5 5 ASP N N 5 120.600 120.600 118.609 1.991 25758 1425 1 14 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.916 0.044 25758 1426 1 14 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.163 1.037 25758 1427 1 14 . 1 1 6 6 TYR N N 6 120.400 120.400 121.562 -1.162 25758 1428 1 14 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.562 0.108 25758 1429 1 14 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.777 -0.577 25758 1430 1 14 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.561 -0.461 25758 1431 1 14 . 1 1 7 7 LEU N N 7 118.800 118.800 118.717 0.083 25758 1432 1 14 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.835 0.015 25758 1433 1 14 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.578 0.222 25758 1434 1 14 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.706 -1.206 25758 1435 1 14 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.766 -0.286 25758 1436 1 14 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.724 0.576 25758 1437 1 14 . 1 1 9 9 LYS N N 9 122.700 122.700 119.351 3.349 25758 1438 1 14 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.031 0.029 25758 1439 1 14 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.317 3.383 25758 1440 1 14 . 1 1 10 10 SER N N 10 111.000 111.000 111.888 -0.888 25758 1441 1 14 . 1 1 10 10 SER HA H 10 4.030 4.030 4.397 -0.367 25758 1442 1 14 . 1 1 10 10 SER CA C 10 59.300 59.300 60.442 -1.142 25758 1443 1 14 . 1 1 10 10 SER CB C 10 62.100 62.100 62.910 -0.810 25758 1444 1 14 . 1 1 11 11 GLU N N 11 117.800 117.800 120.747 -2.947 25758 1445 1 14 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.516 -0.126 25758 1446 1 14 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.561 0.539 25758 1447 1 14 . 1 1 12 12 CYS N N 12 120.300 120.300 121.338 -1.038 25758 1448 1 14 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.849 0.271 25758 1449 1 14 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.568 -6.568 25758 1450 1 14 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.524 10.976 25758 1451 1 14 . 1 1 13 13 THR N N 13 109.800 109.800 118.880 -9.080 25758 1452 1 14 . 1 1 13 13 THR HA H 13 4.490 4.490 4.728 -0.238 25758 1453 1 14 . 1 1 13 13 THR CA C 13 59.000 59.000 60.411 -1.411 25758 1454 1 14 . 1 1 13 13 THR CB C 13 70.900 70.900 71.409 -0.509 25758 1455 1 14 . 1 1 14 14 GLN N N 14 120.800 120.800 124.142 -3.342 25758 1456 1 14 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.263 -0.433 25758 1457 1 14 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.830 0.270 25758 1458 1 14 . 1 1 15 15 PHE N N 15 118.300 118.300 119.812 -1.512 25758 1459 1 14 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.201 -0.051 25758 1460 1 14 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.482 -0.182 25758 1461 1 14 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.430 0.770 25758 1462 1 14 . 1 1 16 16 ARG N N 16 121.000 121.000 119.297 1.703 25758 1463 1 14 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.839 -0.249 25758 1464 1 14 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.848 0.752 25758 1465 1 14 . 1 1 17 17 CYS N N 17 115.200 115.200 116.826 -1.626 25758 1466 1 14 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.386 -0.186 25758 1467 1 14 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.167 -4.667 25758 1468 1 14 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.939 9.961 25758 1469 1 14 . 1 1 18 18 ARG N N 18 114.500 114.500 118.970 -4.470 25758 1470 1 14 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.106 0.024 25758 1471 1 14 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.877 -0.877 25758 1472 1 14 . 1 1 19 19 THR N N 19 106.000 106.000 109.715 -3.715 25758 1473 1 14 . 1 1 19 19 THR HA H 19 4.310 4.310 4.320 -0.010 25758 1474 1 14 . 1 1 19 19 THR CA C 19 61.800 61.800 62.676 -0.876 25758 1475 1 14 . 1 1 19 19 THR CB C 19 71.200 71.200 69.630 1.569 25758 1476 1 14 . 1 1 20 20 SER N N 20 117.000 117.000 118.326 -1.326 25758 1477 1 14 . 1 1 20 20 SER HA H 20 5.060 5.060 4.648 0.412 25758 1478 1 14 . 1 1 20 20 SER CA C 20 56.100 56.100 58.279 -2.179 25758 1479 1 14 . 1 1 20 20 SER CB C 20 63.200 63.200 63.674 -0.474 25758 1480 1 14 . 1 1 21 21 MET N N 21 125.400 125.400 127.813 -2.413 25758 1481 1 14 . 1 1 21 21 MET HA H 21 4.150 4.150 4.222 -0.072 25758 1482 1 14 . 1 1 21 21 MET CA C 21 58.700 58.700 59.708 -1.008 25758 1483 1 14 . 1 1 21 21 MET CB C 21 32.300 32.300 32.839 -0.539 25758 1484 1 14 . 1 1 22 22 LYS N N 22 119.500 119.500 118.856 0.644 25758 1485 1 14 . 1 1 22 22 LYS HA H 22 4.110 4.110 4.054 0.056 25758 1486 1 14 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.127 0.073 25758 1487 1 14 . 1 1 23 23 TYR N N 23 118.900 118.900 116.900 2.000 25758 1488 1 14 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.341 -0.301 25758 1489 1 14 . 1 1 23 23 TYR CA C 23 60.200 60.200 62.139 -1.939 25758 1490 1 14 . 1 1 24 24 ARG N N 24 117.400 117.400 119.074 -1.674 25758 1491 1 14 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.153 -0.083 25758 1492 1 14 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.464 0.536 25758 1493 1 14 . 1 1 25 25 LEU N N 25 110.600 110.600 116.588 -5.988 25758 1494 1 14 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.376 0.034 25758 1495 1 14 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.538 0.262 25758 1496 1 14 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.743 1.957 25758 1497 1 14 . 1 1 26 26 ASN N N 26 113.400 113.400 117.217 -3.817 25758 1498 1 14 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.530 0.570 25758 1499 1 14 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.895 -0.795 25758 1500 1 14 . 1 1 27 27 LEU N N 27 117.000 117.000 119.099 -2.099 25758 1501 1 14 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.544 -0.144 25758 1502 1 14 . 1 1 27 27 LEU CA C 27 55.100 55.100 56.215 -1.115 25758 1503 1 14 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.478 0.022 25758 1504 1 14 . 1 1 28 28 CYS N N 28 118.600 118.600 114.286 4.314 25758 1505 1 14 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.835 0.625 25758 1506 1 14 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.349 -2.749 25758 1507 1 14 . 1 1 29 29 LYS N N 29 118.300 118.300 123.048 -4.748 25758 1508 1 14 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.402 -0.582 25758 1509 1 14 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.510 1.690 25758 1510 1 14 . 1 1 30 30 LYS N N 30 116.900 116.900 120.776 -3.876 25758 1511 1 14 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.155 -0.005 25758 1512 1 14 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.047 -0.347 25758 1513 1 14 . 1 1 31 31 THR N N 31 123.600 123.600 116.317 7.283 25758 1514 1 14 . 1 1 31 31 THR HA H 31 3.800 3.800 4.048 -0.248 25758 1515 1 14 . 1 1 31 31 THR CA C 31 68.400 68.400 66.126 2.274 25758 1516 1 14 . 1 1 31 31 THR CB C 31 67.800 67.800 68.903 -1.103 25758 1517 1 14 . 1 1 32 32 CYS N N 32 113.600 113.600 117.641 -4.041 25758 1518 1 14 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.356 0.484 25758 1519 1 14 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.859 -6.160 25758 1520 1 14 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.308 9.192 25758 1521 1 14 . 1 1 33 33 GLY N N 33 109.700 109.700 109.310 0.390 25758 1522 1 14 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.978 0.722 25758 1523 1 14 . 1 1 34 34 THR N N 34 113.800 113.800 111.728 2.072 25758 1524 1 14 . 1 1 34 34 THR HA H 34 4.320 4.320 4.361 -0.041 25758 1525 1 14 . 1 1 34 34 THR CA C 34 62.600 62.600 62.486 0.114 25758 1526 1 14 . 1 1 34 34 THR CB C 34 68.100 68.100 70.003 -1.903 25758 1527 1 15 . 1 1 3 3 CYS HA H 3 4.750 4.750 5.051 -0.301 25758 1528 1 15 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.749 -2.749 25758 1529 1 15 . 1 1 4 4 LYS N N 4 124.800 124.800 121.016 3.784 25758 1530 1 15 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.561 -0.041 25758 1531 1 15 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.065 -0.265 25758 1532 1 15 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.039 0.261 25758 1533 1 15 . 1 1 5 5 ASP N N 5 120.600 120.600 118.891 1.709 25758 1534 1 15 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.927 0.033 25758 1535 1 15 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.432 0.768 25758 1536 1 15 . 1 1 6 6 TYR N N 6 120.400 120.400 121.060 -0.660 25758 1537 1 15 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.642 0.028 25758 1538 1 15 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.468 -0.268 25758 1539 1 15 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.856 -0.756 25758 1540 1 15 . 1 1 7 7 LEU N N 7 118.800 118.800 118.674 0.126 25758 1541 1 15 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.696 0.154 25758 1542 1 15 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.705 0.095 25758 1543 1 15 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.875 -1.375 25758 1544 1 15 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.768 -0.288 25758 1545 1 15 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.774 0.526 25758 1546 1 15 . 1 1 9 9 LYS N N 9 122.700 122.700 119.211 3.489 25758 1547 1 15 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.015 0.045 25758 1548 1 15 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.522 3.178 25758 1549 1 15 . 1 1 10 10 SER N N 10 111.000 111.000 112.856 -1.856 25758 1550 1 15 . 1 1 10 10 SER HA H 10 4.030 4.030 4.437 -0.407 25758 1551 1 15 . 1 1 10 10 SER CA C 10 59.300 59.300 60.374 -1.075 25758 1552 1 15 . 1 1 10 10 SER CB C 10 62.100 62.100 62.618 -0.518 25758 1553 1 15 . 1 1 11 11 GLU N N 11 117.800 117.800 119.792 -1.992 25758 1554 1 15 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.587 -0.197 25758 1555 1 15 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.734 0.366 25758 1556 1 15 . 1 1 12 12 CYS N N 12 120.300 120.300 120.184 0.116 25758 1557 1 15 . 1 1 12 12 CYS HA H 12 5.120 5.120 5.089 0.031 25758 1558 1 15 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.016 -4.016 25758 1559 1 15 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.156 11.344 25758 1560 1 15 . 1 1 13 13 THR N N 13 109.800 109.800 115.300 -5.500 25758 1561 1 15 . 1 1 13 13 THR HA H 13 4.490 4.490 4.695 -0.205 25758 1562 1 15 . 1 1 13 13 THR CA C 13 59.000 59.000 60.293 -1.293 25758 1563 1 15 . 1 1 13 13 THR CB C 13 70.900 70.900 71.416 -0.516 25758 1564 1 15 . 1 1 14 14 GLN N N 14 120.800 120.800 123.342 -2.542 25758 1565 1 15 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.299 -0.469 25758 1566 1 15 . 1 1 14 14 GLN CA C 14 59.100 59.100 60.023 -0.923 25758 1567 1 15 . 1 1 15 15 PHE N N 15 118.300 118.300 118.970 -0.670 25758 1568 1 15 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.197 -0.047 25758 1569 1 15 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.498 -0.198 25758 1570 1 15 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.578 0.622 25758 1571 1 15 . 1 1 16 16 ARG N N 16 121.000 121.000 119.354 1.646 25758 1572 1 15 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.833 -0.243 25758 1573 1 15 . 1 1 16 16 ARG CA C 16 59.600 59.600 59.127 0.472 25758 1574 1 15 . 1 1 17 17 CYS N N 17 115.200 115.200 116.840 -1.640 25758 1575 1 15 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.509 -0.309 25758 1576 1 15 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.762 -4.262 25758 1577 1 15 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.838 10.062 25758 1578 1 15 . 1 1 18 18 ARG N N 18 114.500 114.500 118.951 -4.451 25758 1579 1 15 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.124 0.006 25758 1580 1 15 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.870 -0.870 25758 1581 1 15 . 1 1 19 19 THR N N 19 106.000 106.000 110.261 -4.261 25758 1582 1 15 . 1 1 19 19 THR HA H 19 4.310 4.310 4.330 -0.020 25758 1583 1 15 . 1 1 19 19 THR CA C 19 61.800 61.800 62.545 -0.745 25758 1584 1 15 . 1 1 19 19 THR CB C 19 71.200 71.200 69.943 1.257 25758 1585 1 15 . 1 1 20 20 SER N N 20 117.000 117.000 117.035 -0.035 25758 1586 1 15 . 1 1 20 20 SER HA H 20 5.060 5.060 4.657 0.403 25758 1587 1 15 . 1 1 20 20 SER CA C 20 56.100 56.100 56.674 -0.574 25758 1588 1 15 . 1 1 20 20 SER CB C 20 63.200 63.200 63.925 -0.725 25758 1589 1 15 . 1 1 21 21 MET N N 21 125.400 125.400 128.370 -2.970 25758 1590 1 15 . 1 1 21 21 MET HA H 21 4.150 4.150 4.269 -0.119 25758 1591 1 15 . 1 1 21 21 MET CA C 21 58.700 58.700 59.335 -0.635 25758 1592 1 15 . 1 1 21 21 MET CB C 21 32.300 32.300 32.752 -0.452 25758 1593 1 15 . 1 1 22 22 LYS N N 22 119.500 119.500 119.624 -0.124 25758 1594 1 15 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.912 0.198 25758 1595 1 15 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.953 -0.752 25758 1596 1 15 . 1 1 23 23 TYR N N 23 118.900 118.900 117.397 1.503 25758 1597 1 15 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.146 -0.106 25758 1598 1 15 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.844 -1.644 25758 1599 1 15 . 1 1 24 24 ARG N N 24 117.400 117.400 118.051 -0.651 25758 1600 1 15 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.056 0.014 25758 1601 1 15 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.967 1.033 25758 1602 1 15 . 1 1 25 25 LEU N N 25 110.600 110.600 116.674 -6.074 25758 1603 1 15 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.348 0.062 25758 1604 1 15 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.645 0.155 25758 1605 1 15 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.717 1.983 25758 1606 1 15 . 1 1 26 26 ASN N N 26 113.400 113.400 116.911 -3.511 25758 1607 1 15 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.442 0.657 25758 1608 1 15 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.645 -0.545 25758 1609 1 15 . 1 1 27 27 LEU N N 27 117.000 117.000 119.326 -2.326 25758 1610 1 15 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.358 0.042 25758 1611 1 15 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.843 -0.743 25758 1612 1 15 . 1 1 27 27 LEU CB C 27 43.500 43.500 42.958 0.542 25758 1613 1 15 . 1 1 28 28 CYS N N 28 118.600 118.600 115.161 3.439 25758 1614 1 15 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.837 0.623 25758 1615 1 15 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.810 -3.210 25758 1616 1 15 . 1 1 29 29 LYS N N 29 118.300 118.300 124.222 -5.922 25758 1617 1 15 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.280 -0.460 25758 1618 1 15 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.572 1.628 25758 1619 1 15 . 1 1 30 30 LYS N N 30 116.900 116.900 119.796 -2.896 25758 1620 1 15 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.132 0.018 25758 1621 1 15 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.105 -0.405 25758 1622 1 15 . 1 1 31 31 THR N N 31 123.600 123.600 116.416 7.184 25758 1623 1 15 . 1 1 31 31 THR HA H 31 3.800 3.800 4.053 -0.253 25758 1624 1 15 . 1 1 31 31 THR CA C 31 68.400 68.400 66.275 2.125 25758 1625 1 15 . 1 1 31 31 THR CB C 31 67.800 67.800 68.681 -0.881 25758 1626 1 15 . 1 1 32 32 CYS N N 32 113.600 113.600 117.451 -3.851 25758 1627 1 15 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.359 0.481 25758 1628 1 15 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.895 -6.195 25758 1629 1 15 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.670 8.830 25758 1630 1 15 . 1 1 33 33 GLY N N 33 109.700 109.700 109.467 0.233 25758 1631 1 15 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.001 0.699 25758 1632 1 15 . 1 1 34 34 THR N N 34 113.800 113.800 112.446 1.354 25758 1633 1 15 . 1 1 34 34 THR HA H 34 4.320 4.320 4.331 -0.011 25758 1634 1 15 . 1 1 34 34 THR CA C 34 62.600 62.600 63.031 -0.431 25758 1635 1 15 . 1 1 34 34 THR CB C 34 68.100 68.100 69.690 -1.590 25758 1636 1 16 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.307 0.443 25758 1637 1 16 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.490 -3.490 25758 1638 1 16 . 1 1 4 4 LYS N N 4 124.800 124.800 120.952 3.848 25758 1639 1 16 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.569 -0.049 25758 1640 1 16 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.617 -0.817 25758 1641 1 16 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.306 -1.006 25758 1642 1 16 . 1 1 5 5 ASP N N 5 120.600 120.600 118.334 2.266 25758 1643 1 16 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.967 -0.007 25758 1644 1 16 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.382 0.818 25758 1645 1 16 . 1 1 6 6 TYR N N 6 120.400 120.400 120.669 -0.269 25758 1646 1 16 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.653 0.017 25758 1647 1 16 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.443 -0.243 25758 1648 1 16 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.873 -0.773 25758 1649 1 16 . 1 1 7 7 LEU N N 7 118.800 118.800 118.154 0.646 25758 1650 1 16 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.804 0.046 25758 1651 1 16 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.727 0.073 25758 1652 1 16 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.771 -1.271 25758 1653 1 16 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.820 -0.340 25758 1654 1 16 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.900 0.400 25758 1655 1 16 . 1 1 9 9 LYS N N 9 122.700 122.700 118.984 3.716 25758 1656 1 16 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.972 0.088 25758 1657 1 16 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.874 2.826 25758 1658 1 16 . 1 1 10 10 SER N N 10 111.000 111.000 111.180 -0.180 25758 1659 1 16 . 1 1 10 10 SER HA H 10 4.030 4.030 4.381 -0.351 25758 1660 1 16 . 1 1 10 10 SER CA C 10 59.300 59.300 60.285 -0.985 25758 1661 1 16 . 1 1 10 10 SER CB C 10 62.100 62.100 62.706 -0.606 25758 1662 1 16 . 1 1 11 11 GLU N N 11 117.800 117.800 120.269 -2.469 25758 1663 1 16 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.620 -0.230 25758 1664 1 16 . 1 1 11 11 GLU CA C 11 58.100 58.100 58.028 0.072 25758 1665 1 16 . 1 1 12 12 CYS N N 12 120.300 120.300 119.338 0.962 25758 1666 1 16 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.977 0.143 25758 1667 1 16 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.322 -4.322 25758 1668 1 16 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.806 11.694 25758 1669 1 16 . 1 1 13 13 THR N N 13 109.800 109.800 115.734 -5.934 25758 1670 1 16 . 1 1 13 13 THR HA H 13 4.490 4.490 4.645 -0.155 25758 1671 1 16 . 1 1 13 13 THR CA C 13 59.000 59.000 60.145 -1.145 25758 1672 1 16 . 1 1 13 13 THR CB C 13 70.900 70.900 71.621 -0.721 25758 1673 1 16 . 1 1 14 14 GLN N N 14 120.800 120.800 123.105 -2.305 25758 1674 1 16 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.287 -0.457 25758 1675 1 16 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.805 0.295 25758 1676 1 16 . 1 1 15 15 PHE N N 15 118.300 118.300 119.649 -1.349 25758 1677 1 16 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.205 -0.055 25758 1678 1 16 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.554 -0.254 25758 1679 1 16 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.425 0.776 25758 1680 1 16 . 1 1 16 16 ARG N N 16 121.000 121.000 119.320 1.680 25758 1681 1 16 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.818 -0.228 25758 1682 1 16 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.667 0.933 25758 1683 1 16 . 1 1 17 17 CYS N N 17 115.200 115.200 116.131 -0.931 25758 1684 1 16 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.546 -0.346 25758 1685 1 16 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.160 -4.660 25758 1686 1 16 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.276 9.624 25758 1687 1 16 . 1 1 18 18 ARG N N 18 114.500 114.500 118.742 -4.242 25758 1688 1 16 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.155 -0.025 25758 1689 1 16 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.704 -0.704 25758 1690 1 16 . 1 1 19 19 THR N N 19 106.000 106.000 110.019 -4.019 25758 1691 1 16 . 1 1 19 19 THR HA H 19 4.310 4.310 4.356 -0.046 25758 1692 1 16 . 1 1 19 19 THR CA C 19 61.800 61.800 61.936 -0.136 25758 1693 1 16 . 1 1 19 19 THR CB C 19 71.200 71.200 69.633 1.567 25758 1694 1 16 . 1 1 20 20 SER N N 20 117.000 117.000 117.413 -0.413 25758 1695 1 16 . 1 1 20 20 SER HA H 20 5.060 5.060 4.763 0.297 25758 1696 1 16 . 1 1 20 20 SER CA C 20 56.100 56.100 57.415 -1.315 25758 1697 1 16 . 1 1 20 20 SER CB C 20 63.200 63.200 64.905 -1.705 25758 1698 1 16 . 1 1 21 21 MET N N 21 125.400 125.400 126.940 -1.540 25758 1699 1 16 . 1 1 21 21 MET HA H 21 4.150 4.150 4.227 -0.077 25758 1700 1 16 . 1 1 21 21 MET CA C 21 58.700 58.700 59.645 -0.945 25758 1701 1 16 . 1 1 21 21 MET CB C 21 32.300 32.300 32.844 -0.544 25758 1702 1 16 . 1 1 22 22 LYS N N 22 119.500 119.500 120.121 -0.621 25758 1703 1 16 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.911 0.199 25758 1704 1 16 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.816 -0.616 25758 1705 1 16 . 1 1 23 23 TYR N N 23 118.900 118.900 116.896 2.004 25758 1706 1 16 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.165 -0.125 25758 1707 1 16 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.883 -1.683 25758 1708 1 16 . 1 1 24 24 ARG N N 24 117.400 117.400 117.374 0.026 25758 1709 1 16 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.209 -0.139 25758 1710 1 16 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.825 1.175 25758 1711 1 16 . 1 1 25 25 LEU N N 25 110.600 110.600 116.442 -5.842 25758 1712 1 16 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.343 0.067 25758 1713 1 16 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.821 -0.021 25758 1714 1 16 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.831 1.869 25758 1715 1 16 . 1 1 26 26 ASN N N 26 113.400 113.400 116.976 -3.576 25758 1716 1 16 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.436 0.664 25758 1717 1 16 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.786 -0.687 25758 1718 1 16 . 1 1 27 27 LEU N N 27 117.000 117.000 119.077 -2.077 25758 1719 1 16 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.440 -0.040 25758 1720 1 16 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.759 -0.659 25758 1721 1 16 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.250 0.250 25758 1722 1 16 . 1 1 28 28 CYS N N 28 118.600 118.600 116.536 2.064 25758 1723 1 16 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.798 0.662 25758 1724 1 16 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.267 -3.667 25758 1725 1 16 . 1 1 29 29 LYS N N 29 118.300 118.300 124.802 -6.502 25758 1726 1 16 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.182 -0.362 25758 1727 1 16 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.954 1.246 25758 1728 1 16 . 1 1 30 30 LYS N N 30 116.900 116.900 120.392 -3.492 25758 1729 1 16 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.096 0.054 25758 1730 1 16 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.079 -0.379 25758 1731 1 16 . 1 1 31 31 THR N N 31 123.600 123.600 116.744 6.856 25758 1732 1 16 . 1 1 31 31 THR HA H 31 3.800 3.800 4.059 -0.259 25758 1733 1 16 . 1 1 31 31 THR CA C 31 68.400 68.400 66.176 2.224 25758 1734 1 16 . 1 1 31 31 THR CB C 31 67.800 67.800 68.554 -0.754 25758 1735 1 16 . 1 1 32 32 CYS N N 32 113.600 113.600 117.381 -3.781 25758 1736 1 16 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.341 0.499 25758 1737 1 16 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.971 -6.271 25758 1738 1 16 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.551 8.949 25758 1739 1 16 . 1 1 33 33 GLY N N 33 109.700 109.700 108.869 0.831 25758 1740 1 16 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.002 0.698 25758 1741 1 16 . 1 1 34 34 THR N N 34 113.800 113.800 112.212 1.588 25758 1742 1 16 . 1 1 34 34 THR HA H 34 4.320 4.320 4.475 -0.155 25758 1743 1 16 . 1 1 34 34 THR CA C 34 62.600 62.600 61.756 0.844 25758 1744 1 16 . 1 1 34 34 THR CB C 34 68.100 68.100 70.140 -2.040 25758 1745 1 17 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.864 -0.114 25758 1746 1 17 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.459 -3.459 25758 1747 1 17 . 1 1 4 4 LYS N N 4 124.800 124.800 122.707 2.093 25758 1748 1 17 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.603 -0.083 25758 1749 1 17 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.502 -0.702 25758 1750 1 17 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.365 -0.065 25758 1751 1 17 . 1 1 5 5 ASP N N 5 120.600 120.600 118.352 2.248 25758 1752 1 17 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.975 -0.015 25758 1753 1 17 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.657 0.543 25758 1754 1 17 . 1 1 6 6 TYR N N 6 120.400 120.400 119.852 0.548 25758 1755 1 17 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.652 0.018 25758 1756 1 17 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.441 -0.241 25758 1757 1 17 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.990 -0.890 25758 1758 1 17 . 1 1 7 7 LEU N N 7 118.800 118.800 118.244 0.556 25758 1759 1 17 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.763 0.087 25758 1760 1 17 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.817 -0.017 25758 1761 1 17 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.690 -1.190 25758 1762 1 17 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.521 -0.041 25758 1763 1 17 . 1 1 8 8 PRO CA C 8 62.300 62.300 62.876 -0.576 25758 1764 1 17 . 1 1 9 9 LYS N N 9 122.700 122.700 118.711 3.989 25758 1765 1 17 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.962 0.098 25758 1766 1 17 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.509 3.191 25758 1767 1 17 . 1 1 10 10 SER N N 10 111.000 111.000 112.667 -1.667 25758 1768 1 17 . 1 1 10 10 SER HA H 10 4.030 4.030 4.358 -0.328 25758 1769 1 17 . 1 1 10 10 SER CA C 10 59.300 59.300 59.763 -0.463 25758 1770 1 17 . 1 1 10 10 SER CB C 10 62.100 62.100 62.917 -0.817 25758 1771 1 17 . 1 1 11 11 GLU N N 11 117.800 117.800 120.308 -2.508 25758 1772 1 17 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.320 0.070 25758 1773 1 17 . 1 1 11 11 GLU CA C 11 58.100 58.100 58.428 -0.328 25758 1774 1 17 . 1 1 12 12 CYS N N 12 120.300 120.300 117.654 2.646 25758 1775 1 17 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.932 0.188 25758 1776 1 17 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.519 -4.519 25758 1777 1 17 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.620 11.880 25758 1778 1 17 . 1 1 13 13 THR N N 13 109.800 109.800 115.527 -5.727 25758 1779 1 17 . 1 1 13 13 THR HA H 13 4.490 4.490 4.592 -0.102 25758 1780 1 17 . 1 1 13 13 THR CA C 13 59.000 59.000 60.002 -1.002 25758 1781 1 17 . 1 1 13 13 THR CB C 13 70.900 70.900 71.873 -0.973 25758 1782 1 17 . 1 1 14 14 GLN N N 14 120.800 120.800 123.301 -2.501 25758 1783 1 17 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.261 -0.431 25758 1784 1 17 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.745 0.355 25758 1785 1 17 . 1 1 15 15 PHE N N 15 118.300 118.300 119.623 -1.323 25758 1786 1 17 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.190 -0.040 25758 1787 1 17 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.549 -0.249 25758 1788 1 17 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.411 0.789 25758 1789 1 17 . 1 1 16 16 ARG N N 16 121.000 121.000 119.016 1.984 25758 1790 1 17 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.814 -0.224 25758 1791 1 17 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.775 0.825 25758 1792 1 17 . 1 1 17 17 CYS N N 17 115.200 115.200 116.933 -1.733 25758 1793 1 17 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.466 -0.266 25758 1794 1 17 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.714 -5.214 25758 1795 1 17 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.003 9.897 25758 1796 1 17 . 1 1 18 18 ARG N N 18 114.500 114.500 118.419 -3.919 25758 1797 1 17 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.115 0.015 25758 1798 1 17 . 1 1 18 18 ARG CA C 18 58.000 58.000 59.154 -1.154 25758 1799 1 17 . 1 1 19 19 THR N N 19 106.000 106.000 110.252 -4.252 25758 1800 1 17 . 1 1 19 19 THR HA H 19 4.310 4.310 4.357 -0.047 25758 1801 1 17 . 1 1 19 19 THR CA C 19 61.800 61.800 62.954 -1.154 25758 1802 1 17 . 1 1 19 19 THR CB C 19 71.200 71.200 70.198 1.002 25758 1803 1 17 . 1 1 20 20 SER N N 20 117.000 117.000 117.664 -0.664 25758 1804 1 17 . 1 1 20 20 SER HA H 20 5.060 5.060 4.725 0.335 25758 1805 1 17 . 1 1 20 20 SER CA C 20 56.100 56.100 57.276 -1.177 25758 1806 1 17 . 1 1 20 20 SER CB C 20 63.200 63.200 63.859 -0.659 25758 1807 1 17 . 1 1 21 21 MET N N 21 125.400 125.400 128.067 -2.667 25758 1808 1 17 . 1 1 21 21 MET HA H 21 4.150 4.150 4.294 -0.144 25758 1809 1 17 . 1 1 21 21 MET CA C 21 58.700 58.700 58.655 0.045 25758 1810 1 17 . 1 1 21 21 MET CB C 21 32.300 32.300 32.534 -0.234 25758 1811 1 17 . 1 1 22 22 LYS N N 22 119.500 119.500 119.813 -0.313 25758 1812 1 17 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.914 0.196 25758 1813 1 17 . 1 1 22 22 LYS CA C 22 59.200 59.200 60.088 -0.888 25758 1814 1 17 . 1 1 23 23 TYR N N 23 118.900 118.900 116.400 2.500 25758 1815 1 17 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.174 -0.134 25758 1816 1 17 . 1 1 23 23 TYR CA C 23 60.200 60.200 62.235 -2.035 25758 1817 1 17 . 1 1 24 24 ARG N N 24 117.400 117.400 117.855 -0.455 25758 1818 1 17 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.274 -0.204 25758 1819 1 17 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.780 1.220 25758 1820 1 17 . 1 1 25 25 LEU N N 25 110.600 110.600 116.727 -6.127 25758 1821 1 17 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.308 0.102 25758 1822 1 17 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.710 0.090 25758 1823 1 17 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.831 1.869 25758 1824 1 17 . 1 1 26 26 ASN N N 26 113.400 113.400 116.602 -3.202 25758 1825 1 17 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.397 0.703 25758 1826 1 17 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.617 -0.517 25758 1827 1 17 . 1 1 27 27 LEU N N 27 117.000 117.000 118.315 -1.315 25758 1828 1 17 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.400 0.000 25758 1829 1 17 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.200 -0.100 25758 1830 1 17 . 1 1 27 27 LEU CB C 27 43.500 43.500 44.120 -0.620 25758 1831 1 17 . 1 1 28 28 CYS N N 28 118.600 118.600 116.413 2.187 25758 1832 1 17 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.862 0.598 25758 1833 1 17 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.004 -3.404 25758 1834 1 17 . 1 1 29 29 LYS N N 29 118.300 118.300 124.451 -6.151 25758 1835 1 17 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.211 -0.391 25758 1836 1 17 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.769 1.431 25758 1837 1 17 . 1 1 30 30 LYS N N 30 116.900 116.900 120.941 -4.041 25758 1838 1 17 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.084 0.066 25758 1839 1 17 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.047 -0.347 25758 1840 1 17 . 1 1 31 31 THR N N 31 123.600 123.600 116.648 6.952 25758 1841 1 17 . 1 1 31 31 THR HA H 31 3.800 3.800 4.054 -0.254 25758 1842 1 17 . 1 1 31 31 THR CA C 31 68.400 68.400 66.106 2.294 25758 1843 1 17 . 1 1 31 31 THR CB C 31 67.800 67.800 68.587 -0.787 25758 1844 1 17 . 1 1 32 32 CYS N N 32 113.600 113.600 117.343 -3.743 25758 1845 1 17 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.346 0.494 25758 1846 1 17 . 1 1 32 32 CYS CA C 32 52.700 52.700 59.015 -6.315 25758 1847 1 17 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.581 8.919 25758 1848 1 17 . 1 1 33 33 GLY N N 33 109.700 109.700 108.543 1.157 25758 1849 1 17 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.812 0.888 25758 1850 1 17 . 1 1 34 34 THR N N 34 113.800 113.800 111.784 2.016 25758 1851 1 17 . 1 1 34 34 THR HA H 34 4.320 4.320 4.548 -0.228 25758 1852 1 17 . 1 1 34 34 THR CA C 34 62.600 62.600 61.784 0.816 25758 1853 1 17 . 1 1 34 34 THR CB C 34 68.100 68.100 70.727 -2.627 25758 1854 1 18 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.810 -0.060 25758 1855 1 18 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.702 -2.702 25758 1856 1 18 . 1 1 4 4 LYS N N 4 124.800 124.800 118.970 5.830 25758 1857 1 18 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.558 -0.038 25758 1858 1 18 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.801 -1.001 25758 1859 1 18 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.981 -0.681 25758 1860 1 18 . 1 1 5 5 ASP N N 5 120.600 120.600 118.293 2.307 25758 1861 1 18 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.974 -0.014 25758 1862 1 18 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.476 0.724 25758 1863 1 18 . 1 1 6 6 TYR N N 6 120.400 120.400 120.970 -0.570 25758 1864 1 18 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.652 0.018 25758 1865 1 18 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.387 -0.187 25758 1866 1 18 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.840 -0.740 25758 1867 1 18 . 1 1 7 7 LEU N N 7 118.800 118.800 118.138 0.662 25758 1868 1 18 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.800 0.050 25758 1869 1 18 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.867 -0.067 25758 1870 1 18 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.799 -1.299 25758 1871 1 18 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.818 -0.338 25758 1872 1 18 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.925 0.375 25758 1873 1 18 . 1 1 9 9 LYS N N 9 122.700 122.700 119.096 3.604 25758 1874 1 18 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.018 0.042 25758 1875 1 18 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.586 3.114 25758 1876 1 18 . 1 1 10 10 SER N N 10 111.000 111.000 112.859 -1.859 25758 1877 1 18 . 1 1 10 10 SER HA H 10 4.030 4.030 4.405 -0.375 25758 1878 1 18 . 1 1 10 10 SER CA C 10 59.300 59.300 60.578 -1.278 25758 1879 1 18 . 1 1 10 10 SER CB C 10 62.100 62.100 62.785 -0.685 25758 1880 1 18 . 1 1 11 11 GLU N N 11 117.800 117.800 120.022 -2.222 25758 1881 1 18 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.594 -0.204 25758 1882 1 18 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.459 0.641 25758 1883 1 18 . 1 1 12 12 CYS N N 12 120.300 120.300 118.366 1.934 25758 1884 1 18 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.959 0.161 25758 1885 1 18 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.291 -4.291 25758 1886 1 18 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.770 11.730 25758 1887 1 18 . 1 1 13 13 THR N N 13 109.800 109.800 115.274 -5.474 25758 1888 1 18 . 1 1 13 13 THR HA H 13 4.490 4.490 4.693 -0.203 25758 1889 1 18 . 1 1 13 13 THR CA C 13 59.000 59.000 60.289 -1.289 25758 1890 1 18 . 1 1 13 13 THR CB C 13 70.900 70.900 71.593 -0.693 25758 1891 1 18 . 1 1 14 14 GLN N N 14 120.800 120.800 123.161 -2.361 25758 1892 1 18 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.321 -0.491 25758 1893 1 18 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.963 -0.863 25758 1894 1 18 . 1 1 15 15 PHE N N 15 118.300 118.300 118.807 -0.507 25758 1895 1 18 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.207 -0.057 25758 1896 1 18 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.420 -0.120 25758 1897 1 18 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.595 0.605 25758 1898 1 18 . 1 1 16 16 ARG N N 16 121.000 121.000 119.869 1.131 25758 1899 1 18 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.927 -0.337 25758 1900 1 18 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.228 1.372 25758 1901 1 18 . 1 1 17 17 CYS N N 17 115.200 115.200 116.691 -1.491 25758 1902 1 18 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.483 -0.283 25758 1903 1 18 . 1 1 17 17 CYS CA C 17 56.500 56.500 62.018 -5.518 25758 1904 1 18 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.988 9.912 25758 1905 1 18 . 1 1 18 18 ARG N N 18 114.500 114.500 118.232 -3.732 25758 1906 1 18 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.135 -0.005 25758 1907 1 18 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.940 -0.940 25758 1908 1 18 . 1 1 19 19 THR N N 19 106.000 106.000 109.799 -3.799 25758 1909 1 18 . 1 1 19 19 THR HA H 19 4.310 4.310 4.347 -0.037 25758 1910 1 18 . 1 1 19 19 THR CA C 19 61.800 61.800 62.764 -0.965 25758 1911 1 18 . 1 1 19 19 THR CB C 19 71.200 71.200 69.842 1.358 25758 1912 1 18 . 1 1 20 20 SER N N 20 117.000 117.000 119.029 -2.029 25758 1913 1 18 . 1 1 20 20 SER HA H 20 5.060 5.060 4.661 0.399 25758 1914 1 18 . 1 1 20 20 SER CA C 20 56.100 56.100 57.541 -1.441 25758 1915 1 18 . 1 1 20 20 SER CB C 20 63.200 63.200 63.875 -0.675 25758 1916 1 18 . 1 1 21 21 MET N N 21 125.400 125.400 126.780 -1.380 25758 1917 1 18 . 1 1 21 21 MET HA H 21 4.150 4.150 4.179 -0.029 25758 1918 1 18 . 1 1 21 21 MET CA C 21 58.700 58.700 60.136 -1.435 25758 1919 1 18 . 1 1 21 21 MET CB C 21 32.300 32.300 32.791 -0.491 25758 1920 1 18 . 1 1 22 22 LYS N N 22 119.500 119.500 120.321 -0.821 25758 1921 1 18 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.955 0.155 25758 1922 1 18 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.372 -0.172 25758 1923 1 18 . 1 1 23 23 TYR N N 23 118.900 118.900 119.092 -0.192 25758 1924 1 18 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.158 -0.118 25758 1925 1 18 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.485 -1.285 25758 1926 1 18 . 1 1 24 24 ARG N N 24 117.400 117.400 117.770 -0.370 25758 1927 1 18 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.212 -0.142 25758 1928 1 18 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.994 1.006 25758 1929 1 18 . 1 1 25 25 LEU N N 25 110.600 110.600 116.904 -6.304 25758 1930 1 18 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.318 0.092 25758 1931 1 18 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.738 0.062 25758 1932 1 18 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.551 2.149 25758 1933 1 18 . 1 1 26 26 ASN N N 26 113.400 113.400 116.705 -3.305 25758 1934 1 18 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.423 0.677 25758 1935 1 18 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.480 -0.380 25758 1936 1 18 . 1 1 27 27 LEU N N 27 117.000 117.000 118.578 -1.578 25758 1937 1 18 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.363 0.037 25758 1938 1 18 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.327 -0.227 25758 1939 1 18 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.341 0.159 25758 1940 1 18 . 1 1 28 28 CYS N N 28 118.600 118.600 117.081 1.519 25758 1941 1 18 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.741 0.719 25758 1942 1 18 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.762 -4.162 25758 1943 1 18 . 1 1 29 29 LYS N N 29 118.300 118.300 124.864 -6.564 25758 1944 1 18 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.267 -0.447 25758 1945 1 18 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.885 1.315 25758 1946 1 18 . 1 1 30 30 LYS N N 30 116.900 116.900 120.990 -4.090 25758 1947 1 18 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.218 -0.068 25758 1948 1 18 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.928 -0.228 25758 1949 1 18 . 1 1 31 31 THR N N 31 123.600 123.600 116.558 7.042 25758 1950 1 18 . 1 1 31 31 THR HA H 31 3.800 3.800 4.088 -0.288 25758 1951 1 18 . 1 1 31 31 THR CA C 31 68.400 68.400 66.504 1.896 25758 1952 1 18 . 1 1 31 31 THR CB C 31 67.800 67.800 68.777 -0.977 25758 1953 1 18 . 1 1 32 32 CYS N N 32 113.600 113.600 117.574 -3.974 25758 1954 1 18 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.324 0.516 25758 1955 1 18 . 1 1 32 32 CYS CA C 32 52.700 52.700 59.117 -6.417 25758 1956 1 18 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.243 9.257 25758 1957 1 18 . 1 1 33 33 GLY N N 33 109.700 109.700 108.435 1.265 25758 1958 1 18 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.949 0.751 25758 1959 1 18 . 1 1 34 34 THR N N 34 113.800 113.800 112.906 0.894 25758 1960 1 18 . 1 1 34 34 THR HA H 34 4.320 4.320 4.434 -0.114 25758 1961 1 18 . 1 1 34 34 THR CA C 34 62.600 62.600 61.249 1.351 25758 1962 1 18 . 1 1 34 34 THR CB C 34 68.100 68.100 70.040 -1.940 25758 1963 1 19 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.626 0.124 25758 1964 1 19 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.161 -4.161 25758 1965 1 19 . 1 1 4 4 LYS N N 4 124.800 124.800 124.443 0.357 25758 1966 1 19 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.632 -0.112 25758 1967 1 19 . 1 1 4 4 LYS CA C 4 54.800 54.800 54.989 -0.189 25758 1968 1 19 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.005 -0.705 25758 1969 1 19 . 1 1 5 5 ASP N N 5 120.600 120.600 118.802 1.798 25758 1970 1 19 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.971 -0.011 25758 1971 1 19 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.288 0.912 25758 1972 1 19 . 1 1 6 6 TYR N N 6 120.400 120.400 121.288 -0.888 25758 1973 1 19 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.639 0.031 25758 1974 1 19 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.469 -0.269 25758 1975 1 19 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.678 -0.578 25758 1976 1 19 . 1 1 7 7 LEU N N 7 118.800 118.800 118.095 0.705 25758 1977 1 19 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.770 0.080 25758 1978 1 19 . 1 1 7 7 LEU CA C 7 51.800 51.800 52.003 -0.203 25758 1979 1 19 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.801 -1.302 25758 1980 1 19 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.808 -0.328 25758 1981 1 19 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.896 0.404 25758 1982 1 19 . 1 1 9 9 LYS N N 9 122.700 122.700 119.379 3.321 25758 1983 1 19 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.982 0.078 25758 1984 1 19 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.359 3.341 25758 1985 1 19 . 1 1 10 10 SER N N 10 111.000 111.000 112.830 -1.830 25758 1986 1 19 . 1 1 10 10 SER HA H 10 4.030 4.030 4.407 -0.377 25758 1987 1 19 . 1 1 10 10 SER CA C 10 59.300 59.300 60.344 -1.044 25758 1988 1 19 . 1 1 10 10 SER CB C 10 62.100 62.100 62.476 -0.376 25758 1989 1 19 . 1 1 11 11 GLU N N 11 117.800 117.800 120.748 -2.948 25758 1990 1 19 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.593 -0.203 25758 1991 1 19 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.962 0.138 25758 1992 1 19 . 1 1 12 12 CYS N N 12 120.300 120.300 117.996 2.304 25758 1993 1 19 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.890 0.230 25758 1994 1 19 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.017 -4.017 25758 1995 1 19 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.519 11.981 25758 1996 1 19 . 1 1 13 13 THR N N 13 109.800 109.800 115.241 -5.441 25758 1997 1 19 . 1 1 13 13 THR HA H 13 4.490 4.490 4.626 -0.136 25758 1998 1 19 . 1 1 13 13 THR CA C 13 59.000 59.000 60.027 -1.027 25758 1999 1 19 . 1 1 13 13 THR CB C 13 70.900 70.900 72.105 -1.205 25758 2000 1 19 . 1 1 14 14 GLN N N 14 120.800 120.800 123.420 -2.620 25758 2001 1 19 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.270 -0.440 25758 2002 1 19 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.555 0.545 25758 2003 1 19 . 1 1 15 15 PHE N N 15 118.300 118.300 118.487 -0.187 25758 2004 1 19 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.252 -0.102 25758 2005 1 19 . 1 1 15 15 PHE CA C 15 61.300 61.300 60.806 0.494 25758 2006 1 19 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.412 0.788 25758 2007 1 19 . 1 1 16 16 ARG N N 16 121.000 121.000 119.479 1.521 25758 2008 1 19 . 1 1 16 16 ARG HA H 16 3.590 3.590 4.268 -0.678 25758 2009 1 19 . 1 1 16 16 ARG CA C 16 59.600 59.600 57.269 2.331 25758 2010 1 19 . 1 1 17 17 CYS N N 17 115.200 115.200 116.852 -1.652 25758 2011 1 19 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.590 -0.390 25758 2012 1 19 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.526 -5.026 25758 2013 1 19 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.010 9.890 25758 2014 1 19 . 1 1 18 18 ARG N N 18 114.500 114.500 117.983 -3.483 25758 2015 1 19 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.245 -0.115 25758 2016 1 19 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.252 -0.252 25758 2017 1 19 . 1 1 19 19 THR N N 19 106.000 106.000 111.152 -5.152 25758 2018 1 19 . 1 1 19 19 THR HA H 19 4.310 4.310 4.398 -0.088 25758 2019 1 19 . 1 1 19 19 THR CA C 19 61.800 61.800 61.796 0.004 25758 2020 1 19 . 1 1 19 19 THR CB C 19 71.200 71.200 69.290 1.910 25758 2021 1 19 . 1 1 20 20 SER N N 20 117.000 117.000 118.003 -1.003 25758 2022 1 19 . 1 1 20 20 SER HA H 20 5.060 5.060 4.843 0.217 25758 2023 1 19 . 1 1 20 20 SER CA C 20 56.100 56.100 57.870 -1.770 25758 2024 1 19 . 1 1 20 20 SER CB C 20 63.200 63.200 64.993 -1.793 25758 2025 1 19 . 1 1 21 21 MET N N 21 125.400 125.400 126.185 -0.785 25758 2026 1 19 . 1 1 21 21 MET HA H 21 4.150 4.150 4.282 -0.132 25758 2027 1 19 . 1 1 21 21 MET CA C 21 58.700 58.700 57.504 1.196 25758 2028 1 19 . 1 1 21 21 MET CB C 21 32.300 32.300 32.595 -0.295 25758 2029 1 19 . 1 1 22 22 LYS N N 22 119.500 119.500 120.581 -1.081 25758 2030 1 19 . 1 1 22 22 LYS HA H 22 4.110 4.110 4.031 0.079 25758 2031 1 19 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.595 -0.395 25758 2032 1 19 . 1 1 23 23 TYR N N 23 118.900 118.900 116.672 2.228 25758 2033 1 19 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.227 -0.187 25758 2034 1 19 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.416 -1.216 25758 2035 1 19 . 1 1 24 24 ARG N N 24 117.400 117.400 117.420 -0.020 25758 2036 1 19 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.301 -0.231 25758 2037 1 19 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.619 1.381 25758 2038 1 19 . 1 1 25 25 LEU N N 25 110.600 110.600 117.090 -6.490 25758 2039 1 19 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.285 0.125 25758 2040 1 19 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.164 0.636 25758 2041 1 19 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.054 1.646 25758 2042 1 19 . 1 1 26 26 ASN N N 26 113.400 113.400 116.679 -3.279 25758 2043 1 19 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.386 0.714 25758 2044 1 19 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.485 -0.385 25758 2045 1 19 . 1 1 27 27 LEU N N 27 117.000 117.000 118.441 -1.441 25758 2046 1 19 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.553 -0.153 25758 2047 1 19 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.122 -0.022 25758 2048 1 19 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.821 -0.321 25758 2049 1 19 . 1 1 28 28 CYS N N 28 118.600 118.600 117.454 1.146 25758 2050 1 19 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.778 0.682 25758 2051 1 19 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.817 -4.217 25758 2052 1 19 . 1 1 29 29 LYS N N 29 118.300 118.300 124.620 -6.320 25758 2053 1 19 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.239 -0.419 25758 2054 1 19 . 1 1 29 29 LYS CA C 29 60.200 60.200 59.030 1.170 25758 2055 1 19 . 1 1 30 30 LYS N N 30 116.900 116.900 120.942 -4.042 25758 2056 1 19 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.219 -0.069 25758 2057 1 19 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.738 -0.038 25758 2058 1 19 . 1 1 31 31 THR N N 31 123.600 123.600 116.628 6.972 25758 2059 1 19 . 1 1 31 31 THR HA H 31 3.800 3.800 4.084 -0.284 25758 2060 1 19 . 1 1 31 31 THR CA C 31 68.400 68.400 66.438 1.962 25758 2061 1 19 . 1 1 31 31 THR CB C 31 67.800 67.800 68.761 -0.961 25758 2062 1 19 . 1 1 32 32 CYS N N 32 113.600 113.600 117.355 -3.755 25758 2063 1 19 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.319 0.521 25758 2064 1 19 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.962 -6.263 25758 2065 1 19 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.264 9.236 25758 2066 1 19 . 1 1 33 33 GLY N N 33 109.700 109.700 108.559 1.141 25758 2067 1 19 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.069 0.631 25758 2068 1 19 . 1 1 34 34 THR N N 34 113.800 113.800 114.245 -0.445 25758 2069 1 19 . 1 1 34 34 THR HA H 34 4.320 4.320 4.583 -0.263 25758 2070 1 19 . 1 1 34 34 THR CA C 34 62.600 62.600 61.807 0.793 25758 2071 1 19 . 1 1 34 34 THR CB C 34 68.100 68.100 70.317 -2.217 25758 2072 1 20 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.320 0.430 25758 2073 1 20 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.637 -4.637 25758 2074 1 20 . 1 1 4 4 LYS N N 4 124.800 124.800 126.833 -2.033 25758 2075 1 20 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.536 -0.016 25758 2076 1 20 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.057 -0.257 25758 2077 1 20 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.391 -1.091 25758 2078 1 20 . 1 1 5 5 ASP N N 5 120.600 120.600 118.185 2.415 25758 2079 1 20 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.960 0.000 25758 2080 1 20 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.378 0.822 25758 2081 1 20 . 1 1 6 6 TYR N N 6 120.400 120.400 122.009 -1.609 25758 2082 1 20 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.540 0.130 25758 2083 1 20 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.457 -1.257 25758 2084 1 20 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.654 -0.554 25758 2085 1 20 . 1 1 7 7 LEU N N 7 118.800 118.800 118.858 -0.058 25758 2086 1 20 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.754 0.096 25758 2087 1 20 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.522 0.278 25758 2088 1 20 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.517 -1.017 25758 2089 1 20 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.651 -0.171 25758 2090 1 20 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.801 0.499 25758 2091 1 20 . 1 1 9 9 LYS N N 9 122.700 122.700 118.958 3.742 25758 2092 1 20 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.968 0.092 25758 2093 1 20 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.393 3.307 25758 2094 1 20 . 1 1 10 10 SER N N 10 111.000 111.000 111.524 -0.524 25758 2095 1 20 . 1 1 10 10 SER HA H 10 4.030 4.030 4.349 -0.319 25758 2096 1 20 . 1 1 10 10 SER CA C 10 59.300 59.300 60.202 -0.902 25758 2097 1 20 . 1 1 10 10 SER CB C 10 62.100 62.100 62.710 -0.610 25758 2098 1 20 . 1 1 11 11 GLU N N 11 117.800 117.800 120.354 -2.554 25758 2099 1 20 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.610 -0.220 25758 2100 1 20 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.848 0.252 25758 2101 1 20 . 1 1 12 12 CYS N N 12 120.300 120.300 121.210 -0.910 25758 2102 1 20 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.901 0.219 25758 2103 1 20 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.559 -6.559 25758 2104 1 20 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.605 10.895 25758 2105 1 20 . 1 1 13 13 THR N N 13 109.800 109.800 117.837 -8.037 25758 2106 1 20 . 1 1 13 13 THR HA H 13 4.490 4.490 4.762 -0.272 25758 2107 1 20 . 1 1 13 13 THR CA C 13 59.000 59.000 60.587 -1.587 25758 2108 1 20 . 1 1 13 13 THR CB C 13 70.900 70.900 71.355 -0.455 25758 2109 1 20 . 1 1 14 14 GLN N N 14 120.800 120.800 124.139 -3.339 25758 2110 1 20 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.312 -0.482 25758 2111 1 20 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.989 -0.889 25758 2112 1 20 . 1 1 15 15 PHE N N 15 118.300 118.300 118.981 -0.681 25758 2113 1 20 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.177 -0.027 25758 2114 1 20 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.485 -0.185 25758 2115 1 20 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.578 0.623 25758 2116 1 20 . 1 1 16 16 ARG N N 16 121.000 121.000 119.677 1.323 25758 2117 1 20 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.844 -0.254 25758 2118 1 20 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.852 0.748 25758 2119 1 20 . 1 1 17 17 CYS N N 17 115.200 115.200 116.167 -0.967 25758 2120 1 20 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.515 -0.315 25758 2121 1 20 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.786 -4.286 25758 2122 1 20 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.973 9.927 25758 2123 1 20 . 1 1 18 18 ARG N N 18 114.500 114.500 119.098 -4.598 25758 2124 1 20 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.181 -0.051 25758 2125 1 20 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.301 -0.301 25758 2126 1 20 . 1 1 19 19 THR N N 19 106.000 106.000 110.415 -4.415 25758 2127 1 20 . 1 1 19 19 THR HA H 19 4.310 4.310 4.310 0.000 25758 2128 1 20 . 1 1 19 19 THR CA C 19 61.800 61.800 62.798 -0.998 25758 2129 1 20 . 1 1 19 19 THR CB C 19 71.200 71.200 69.629 1.571 25758 2130 1 20 . 1 1 20 20 SER N N 20 117.000 117.000 118.923 -1.923 25758 2131 1 20 . 1 1 20 20 SER HA H 20 5.060 5.060 4.590 0.470 25758 2132 1 20 . 1 1 20 20 SER CA C 20 56.100 56.100 57.749 -1.649 25758 2133 1 20 . 1 1 20 20 SER CB C 20 63.200 63.200 64.037 -0.836 25758 2134 1 20 . 1 1 21 21 MET N N 21 125.400 125.400 127.069 -1.669 25758 2135 1 20 . 1 1 21 21 MET HA H 21 4.150 4.150 4.222 -0.072 25758 2136 1 20 . 1 1 21 21 MET CA C 21 58.700 58.700 59.674 -0.974 25758 2137 1 20 . 1 1 21 21 MET CB C 21 32.300 32.300 32.784 -0.484 25758 2138 1 20 . 1 1 22 22 LYS N N 22 119.500 119.500 120.349 -0.849 25758 2139 1 20 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.986 0.124 25758 2140 1 20 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.503 -0.303 25758 2141 1 20 . 1 1 23 23 TYR N N 23 118.900 118.900 118.716 0.184 25758 2142 1 20 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.215 -0.175 25758 2143 1 20 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.529 -1.329 25758 2144 1 20 . 1 1 24 24 ARG N N 24 117.400 117.400 118.568 -1.168 25758 2145 1 20 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.460 -0.390 25758 2146 1 20 . 1 1 24 24 ARG CA C 24 60.000 60.000 58.679 1.321 25758 2147 1 20 . 1 1 25 25 LEU N N 25 110.600 110.600 118.153 -7.553 25758 2148 1 20 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.197 0.213 25758 2149 1 20 . 1 1 25 25 LEU CA C 25 55.800 55.800 56.919 -1.119 25758 2150 1 20 . 1 1 25 25 LEU CB C 25 42.700 42.700 41.669 1.031 25758 2151 1 20 . 1 1 26 26 ASN N N 26 113.400 113.400 116.677 -3.277 25758 2152 1 20 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.418 0.682 25758 2153 1 20 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.675 -0.575 25758 2154 1 20 . 1 1 27 27 LEU N N 27 117.000 117.000 118.413 -1.413 25758 2155 1 20 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.434 -0.034 25758 2156 1 20 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.968 -0.868 25758 2157 1 20 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.689 -0.189 25758 2158 1 20 . 1 1 28 28 CYS N N 28 118.600 118.600 116.029 2.571 25758 2159 1 20 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.815 0.645 25758 2160 1 20 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.757 -3.157 25758 2161 1 20 . 1 1 29 29 LYS N N 29 118.300 118.300 124.932 -6.632 25758 2162 1 20 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.260 -0.440 25758 2163 1 20 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.742 1.458 25758 2164 1 20 . 1 1 30 30 LYS N N 30 116.900 116.900 120.163 -3.263 25758 2165 1 20 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.146 0.004 25758 2166 1 20 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.893 -0.193 25758 2167 1 20 . 1 1 31 31 THR N N 31 123.600 123.600 116.240 7.360 25758 2168 1 20 . 1 1 31 31 THR HA H 31 3.800 3.800 4.086 -0.286 25758 2169 1 20 . 1 1 31 31 THR CA C 31 68.400 68.400 65.709 2.691 25758 2170 1 20 . 1 1 31 31 THR CB C 31 67.800 67.800 68.575 -0.775 25758 2171 1 20 . 1 1 32 32 CYS N N 32 113.600 113.600 117.288 -3.688 25758 2172 1 20 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.375 0.465 25758 2173 1 20 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.927 -6.227 25758 2174 1 20 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.489 9.011 25758 2175 1 20 . 1 1 33 33 GLY N N 33 109.700 109.700 108.945 0.755 25758 2176 1 20 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.928 0.772 25758 2177 1 20 . 1 1 34 34 THR N N 34 113.800 113.800 113.055 0.745 25758 2178 1 20 . 1 1 34 34 THR HA H 34 4.320 4.320 4.580 -0.260 25758 2179 1 20 . 1 1 34 34 THR CA C 34 62.600 62.600 61.165 1.435 25758 2180 1 20 . 1 1 34 34 THR CB C 34 68.100 68.100 69.797 -1.698 25758 2181 1 21 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.236 0.514 25758 2182 1 21 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.202 -4.202 25758 2183 1 21 . 1 1 4 4 LYS N N 4 124.800 124.800 120.884 3.916 25758 2184 1 21 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.513 0.007 25758 2185 1 21 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.222 -0.422 25758 2186 1 21 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.300 -0.000 25758 2187 1 21 . 1 1 5 5 ASP N N 5 120.600 120.600 118.272 2.328 25758 2188 1 21 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.969 -0.009 25758 2189 1 21 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.258 0.942 25758 2190 1 21 . 1 1 6 6 TYR N N 6 120.400 120.400 120.835 -0.435 25758 2191 1 21 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.573 0.097 25758 2192 1 21 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.054 -0.854 25758 2193 1 21 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.773 -0.673 25758 2194 1 21 . 1 1 7 7 LEU N N 7 118.800 118.800 118.192 0.608 25758 2195 1 21 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.725 0.125 25758 2196 1 21 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.708 0.092 25758 2197 1 21 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.114 -0.613 25758 2198 1 21 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.532 -0.052 25758 2199 1 21 . 1 1 8 8 PRO CA C 8 62.300 62.300 62.400 -0.100 25758 2200 1 21 . 1 1 9 9 LYS N N 9 122.700 122.700 119.668 3.032 25758 2201 1 21 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.005 0.055 25758 2202 1 21 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.376 3.325 25758 2203 1 21 . 1 1 10 10 SER N N 10 111.000 111.000 112.785 -1.785 25758 2204 1 21 . 1 1 10 10 SER HA H 10 4.030 4.030 4.350 -0.320 25758 2205 1 21 . 1 1 10 10 SER CA C 10 59.300 59.300 60.728 -1.428 25758 2206 1 21 . 1 1 10 10 SER CB C 10 62.100 62.100 63.067 -0.967 25758 2207 1 21 . 1 1 11 11 GLU N N 11 117.800 117.800 120.785 -2.985 25758 2208 1 21 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.282 0.108 25758 2209 1 21 . 1 1 11 11 GLU CA C 11 58.100 58.100 58.771 -0.671 25758 2210 1 21 . 1 1 12 12 CYS N N 12 120.300 120.300 118.194 2.106 25758 2211 1 21 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.888 0.232 25758 2212 1 21 . 1 1 12 12 CYS CA C 12 52.000 52.000 57.791 -5.791 25758 2213 1 21 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.470 11.030 25758 2214 1 21 . 1 1 13 13 THR N N 13 109.800 109.800 119.155 -9.355 25758 2215 1 21 . 1 1 13 13 THR HA H 13 4.490 4.490 4.787 -0.297 25758 2216 1 21 . 1 1 13 13 THR CA C 13 59.000 59.000 60.397 -1.397 25758 2217 1 21 . 1 1 13 13 THR CB C 13 70.900 70.900 71.553 -0.653 25758 2218 1 21 . 1 1 14 14 GLN N N 14 120.800 120.800 123.007 -2.207 25758 2219 1 21 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.234 -0.404 25758 2220 1 21 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.752 0.348 25758 2221 1 21 . 1 1 15 15 PHE N N 15 118.300 118.300 119.417 -1.117 25758 2222 1 21 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.213 -0.063 25758 2223 1 21 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.721 -0.421 25758 2224 1 21 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.485 0.715 25758 2225 1 21 . 1 1 16 16 ARG N N 16 121.000 121.000 119.921 1.079 25758 2226 1 21 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.967 -0.377 25758 2227 1 21 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.674 0.926 25758 2228 1 21 . 1 1 17 17 CYS N N 17 115.200 115.200 115.131 0.069 25758 2229 1 21 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.349 -0.149 25758 2230 1 21 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.490 -3.990 25758 2231 1 21 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.607 10.293 25758 2232 1 21 . 1 1 18 18 ARG N N 18 114.500 114.500 118.838 -4.338 25758 2233 1 21 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.308 -0.178 25758 2234 1 21 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.527 -0.527 25758 2235 1 21 . 1 1 19 19 THR N N 19 106.000 106.000 110.091 -4.091 25758 2236 1 21 . 1 1 19 19 THR HA H 19 4.310 4.310 4.387 -0.077 25758 2237 1 21 . 1 1 19 19 THR CA C 19 61.800 61.800 63.146 -1.346 25758 2238 1 21 . 1 1 19 19 THR CB C 19 71.200 71.200 69.385 1.815 25758 2239 1 21 . 1 1 20 20 SER N N 20 117.000 117.000 120.710 -3.710 25758 2240 1 21 . 1 1 20 20 SER HA H 20 5.060 5.060 4.652 0.408 25758 2241 1 21 . 1 1 20 20 SER CA C 20 56.100 56.100 58.090 -1.990 25758 2242 1 21 . 1 1 20 20 SER CB C 20 63.200 63.200 61.926 1.274 25758 2243 1 21 . 1 1 21 21 MET N N 21 125.400 125.400 126.116 -0.716 25758 2244 1 21 . 1 1 21 21 MET HA H 21 4.150 4.150 3.969 0.181 25758 2245 1 21 . 1 1 21 21 MET CA C 21 58.700 58.700 60.546 -1.846 25758 2246 1 21 . 1 1 21 21 MET CB C 21 32.300 32.300 32.480 -0.180 25758 2247 1 21 . 1 1 22 22 LYS N N 22 119.500 119.500 118.783 0.717 25758 2248 1 21 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.977 0.133 25758 2249 1 21 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.456 -0.256 25758 2250 1 21 . 1 1 23 23 TYR N N 23 118.900 118.900 117.938 0.962 25758 2251 1 21 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.121 -0.081 25758 2252 1 21 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.425 -1.225 25758 2253 1 21 . 1 1 24 24 ARG N N 24 117.400 117.400 118.237 -0.837 25758 2254 1 21 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.021 0.049 25758 2255 1 21 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.204 0.796 25758 2256 1 21 . 1 1 25 25 LEU N N 25 110.600 110.600 116.522 -5.922 25758 2257 1 21 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.365 0.045 25758 2258 1 21 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.695 0.105 25758 2259 1 21 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.957 1.743 25758 2260 1 21 . 1 1 26 26 ASN N N 26 113.400 113.400 116.723 -3.323 25758 2261 1 21 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.386 0.714 25758 2262 1 21 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.777 -0.677 25758 2263 1 21 . 1 1 27 27 LEU N N 27 117.000 117.000 118.990 -1.990 25758 2264 1 21 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.230 0.170 25758 2265 1 21 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.922 -0.822 25758 2266 1 21 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.235 0.265 25758 2267 1 21 . 1 1 28 28 CYS N N 28 118.600 118.600 115.058 3.542 25758 2268 1 21 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.790 0.670 25758 2269 1 21 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.721 -3.121 25758 2270 1 21 . 1 1 29 29 LYS N N 29 118.300 118.300 124.156 -5.856 25758 2271 1 21 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.441 -0.621 25758 2272 1 21 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.440 1.760 25758 2273 1 21 . 1 1 30 30 LYS N N 30 116.900 116.900 120.534 -3.634 25758 2274 1 21 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.164 -0.014 25758 2275 1 21 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.029 -0.329 25758 2276 1 21 . 1 1 31 31 THR N N 31 123.600 123.600 116.340 7.260 25758 2277 1 21 . 1 1 31 31 THR HA H 31 3.800 3.800 4.059 -0.259 25758 2278 1 21 . 1 1 31 31 THR CA C 31 68.400 68.400 66.476 1.924 25758 2279 1 21 . 1 1 31 31 THR CB C 31 67.800 67.800 68.946 -1.146 25758 2280 1 21 . 1 1 32 32 CYS N N 32 113.600 113.600 113.448 0.152 25758 2281 1 21 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.510 0.330 25758 2282 1 21 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.117 -5.417 25758 2283 1 21 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.843 8.657 25758 2284 1 21 . 1 1 33 33 GLY N N 33 109.700 109.700 109.884 -0.184 25758 2285 1 21 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.047 0.653 25758 2286 1 21 . 1 1 34 34 THR N N 34 113.800 113.800 113.104 0.696 25758 2287 1 21 . 1 1 34 34 THR HA H 34 4.320 4.320 4.454 -0.134 25758 2288 1 21 . 1 1 34 34 THR CA C 34 62.600 62.600 62.066 0.534 25758 2289 1 21 . 1 1 34 34 THR CB C 34 68.100 68.100 70.153 -2.053 25758 2290 1 22 . 1 1 3 3 CYS HA H 3 4.750 4.750 5.059 -0.309 25758 2291 1 22 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.674 -2.674 25758 2292 1 22 . 1 1 4 4 LYS N N 4 124.800 124.800 120.800 4.000 25758 2293 1 22 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.550 -0.030 25758 2294 1 22 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.478 -0.678 25758 2295 1 22 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.027 0.273 25758 2296 1 22 . 1 1 5 5 ASP N N 5 120.600 120.600 118.658 1.942 25758 2297 1 22 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.946 0.014 25758 2298 1 22 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.409 0.791 25758 2299 1 22 . 1 1 6 6 TYR N N 6 120.400 120.400 121.067 -0.667 25758 2300 1 22 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.658 0.012 25758 2301 1 22 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.327 -0.127 25758 2302 1 22 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.791 -0.691 25758 2303 1 22 . 1 1 7 7 LEU N N 7 118.800 118.800 118.494 0.306 25758 2304 1 22 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.746 0.104 25758 2305 1 22 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.747 0.053 25758 2306 1 22 . 1 1 7 7 LEU CB C 7 43.500 43.500 45.142 -1.642 25758 2307 1 22 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.823 -0.343 25758 2308 1 22 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.895 0.405 25758 2309 1 22 . 1 1 9 9 LYS N N 9 122.700 122.700 118.817 3.883 25758 2310 1 22 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.970 0.090 25758 2311 1 22 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.805 2.895 25758 2312 1 22 . 1 1 10 10 SER N N 10 111.000 111.000 112.063 -1.063 25758 2313 1 22 . 1 1 10 10 SER HA H 10 4.030 4.030 4.360 -0.330 25758 2314 1 22 . 1 1 10 10 SER CA C 10 59.300 59.300 59.598 -0.298 25758 2315 1 22 . 1 1 10 10 SER CB C 10 62.100 62.100 62.896 -0.796 25758 2316 1 22 . 1 1 11 11 GLU N N 11 117.800 117.800 120.041 -2.241 25758 2317 1 22 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.629 -0.239 25758 2318 1 22 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.847 0.253 25758 2319 1 22 . 1 1 12 12 CYS N N 12 120.300 120.300 120.060 0.240 25758 2320 1 22 . 1 1 12 12 CYS HA H 12 5.120 5.120 5.081 0.039 25758 2321 1 22 . 1 1 12 12 CYS CA C 12 52.000 52.000 55.968 -3.968 25758 2322 1 22 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.213 11.287 25758 2323 1 22 . 1 1 13 13 THR N N 13 109.800 109.800 115.739 -5.939 25758 2324 1 22 . 1 1 13 13 THR HA H 13 4.490 4.490 4.643 -0.153 25758 2325 1 22 . 1 1 13 13 THR CA C 13 59.000 59.000 60.209 -1.209 25758 2326 1 22 . 1 1 13 13 THR CB C 13 70.900 70.900 71.596 -0.696 25758 2327 1 22 . 1 1 14 14 GLN N N 14 120.800 120.800 123.210 -2.410 25758 2328 1 22 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.302 -0.472 25758 2329 1 22 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.803 0.297 25758 2330 1 22 . 1 1 15 15 PHE N N 15 118.300 118.300 119.752 -1.452 25758 2331 1 22 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.204 -0.054 25758 2332 1 22 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.560 -0.260 25758 2333 1 22 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.444 0.756 25758 2334 1 22 . 1 1 16 16 ARG N N 16 121.000 121.000 119.945 1.055 25758 2335 1 22 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.877 -0.287 25758 2336 1 22 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.469 1.131 25758 2337 1 22 . 1 1 17 17 CYS N N 17 115.200 115.200 117.120 -1.920 25758 2338 1 22 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.318 -0.118 25758 2339 1 22 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.809 -5.309 25758 2340 1 22 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.945 9.955 25758 2341 1 22 . 1 1 18 18 ARG N N 18 114.500 114.500 118.404 -3.904 25758 2342 1 22 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.127 0.003 25758 2343 1 22 . 1 1 18 18 ARG CA C 18 58.000 58.000 59.053 -1.053 25758 2344 1 22 . 1 1 19 19 THR N N 19 106.000 106.000 110.192 -4.192 25758 2345 1 22 . 1 1 19 19 THR HA H 19 4.310 4.310 4.381 -0.071 25758 2346 1 22 . 1 1 19 19 THR CA C 19 61.800 61.800 62.638 -0.838 25758 2347 1 22 . 1 1 19 19 THR CB C 19 71.200 71.200 69.907 1.293 25758 2348 1 22 . 1 1 20 20 SER N N 20 117.000 117.000 119.109 -2.109 25758 2349 1 22 . 1 1 20 20 SER HA H 20 5.060 5.060 4.712 0.348 25758 2350 1 22 . 1 1 20 20 SER CA C 20 56.100 56.100 58.261 -2.161 25758 2351 1 22 . 1 1 20 20 SER CB C 20 63.200 63.200 63.551 -0.351 25758 2352 1 22 . 1 1 21 21 MET N N 21 125.400 125.400 127.405 -2.005 25758 2353 1 22 . 1 1 21 21 MET HA H 21 4.150 4.150 4.209 -0.059 25758 2354 1 22 . 1 1 21 21 MET CA C 21 58.700 58.700 59.625 -0.925 25758 2355 1 22 . 1 1 21 21 MET CB C 21 32.300 32.300 32.844 -0.545 25758 2356 1 22 . 1 1 22 22 LYS N N 22 119.500 119.500 119.092 0.408 25758 2357 1 22 . 1 1 22 22 LYS HA H 22 4.110 4.110 4.002 0.108 25758 2358 1 22 . 1 1 22 22 LYS CA C 22 59.200 59.200 58.978 0.222 25758 2359 1 22 . 1 1 23 23 TYR N N 23 118.900 118.900 117.105 1.795 25758 2360 1 22 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.263 -0.223 25758 2361 1 22 . 1 1 23 23 TYR CA C 23 60.200 60.200 62.529 -2.329 25758 2362 1 22 . 1 1 24 24 ARG N N 24 117.400 117.400 118.212 -0.812 25758 2363 1 22 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.133 -0.063 25758 2364 1 22 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.170 0.830 25758 2365 1 22 . 1 1 25 25 LEU N N 25 110.600 110.600 116.227 -5.627 25758 2366 1 22 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.274 0.136 25758 2367 1 22 . 1 1 25 25 LEU CA C 25 55.800 55.800 56.119 -0.319 25758 2368 1 22 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.840 1.860 25758 2369 1 22 . 1 1 26 26 ASN N N 26 113.400 113.400 116.601 -3.201 25758 2370 1 22 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.463 0.637 25758 2371 1 22 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.208 -0.108 25758 2372 1 22 . 1 1 27 27 LEU N N 27 117.000 117.000 119.032 -2.032 25758 2373 1 22 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.465 -0.065 25758 2374 1 22 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.945 -0.845 25758 2375 1 22 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.422 0.078 25758 2376 1 22 . 1 1 28 28 CYS N N 28 118.600 118.600 115.435 3.165 25758 2377 1 22 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.839 0.621 25758 2378 1 22 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.031 -3.431 25758 2379 1 22 . 1 1 29 29 LYS N N 29 118.300 118.300 124.252 -5.952 25758 2380 1 22 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.313 -0.493 25758 2381 1 22 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.458 1.742 25758 2382 1 22 . 1 1 30 30 LYS N N 30 116.900 116.900 120.539 -3.639 25758 2383 1 22 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.132 0.018 25758 2384 1 22 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.010 -0.310 25758 2385 1 22 . 1 1 31 31 THR N N 31 123.600 123.600 116.707 6.893 25758 2386 1 22 . 1 1 31 31 THR HA H 31 3.800 3.800 4.066 -0.266 25758 2387 1 22 . 1 1 31 31 THR CA C 31 68.400 68.400 66.602 1.798 25758 2388 1 22 . 1 1 31 31 THR CB C 31 67.800 67.800 68.793 -0.993 25758 2389 1 22 . 1 1 32 32 CYS N N 32 113.600 113.600 117.407 -3.807 25758 2390 1 22 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.339 0.501 25758 2391 1 22 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.911 -6.211 25758 2392 1 22 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.436 9.064 25758 2393 1 22 . 1 1 33 33 GLY N N 33 109.700 109.700 108.719 0.981 25758 2394 1 22 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.053 0.647 25758 2395 1 22 . 1 1 34 34 THR N N 34 113.800 113.800 113.027 0.773 25758 2396 1 22 . 1 1 34 34 THR HA H 34 4.320 4.320 4.401 -0.081 25758 2397 1 22 . 1 1 34 34 THR CA C 34 62.600 62.600 62.354 0.246 25758 2398 1 22 . 1 1 34 34 THR CB C 34 68.100 68.100 69.897 -1.797 25758 2399 1 23 . 1 1 3 3 CYS HA H 3 4.750 4.750 5.038 -0.288 25758 2400 1 23 . 1 1 3 3 CYS CA C 3 55.000 55.000 57.657 -2.657 25758 2401 1 23 . 1 1 4 4 LYS N N 4 124.800 124.800 120.483 4.317 25758 2402 1 23 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.526 -0.006 25758 2403 1 23 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.427 -0.627 25758 2404 1 23 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.205 0.095 25758 2405 1 23 . 1 1 5 5 ASP N N 5 120.600 120.600 118.550 2.050 25758 2406 1 23 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.971 -0.011 25758 2407 1 23 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.316 0.884 25758 2408 1 23 . 1 1 6 6 TYR N N 6 120.400 120.400 121.164 -0.764 25758 2409 1 23 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.628 0.042 25758 2410 1 23 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.479 -0.279 25758 2411 1 23 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.720 -0.620 25758 2412 1 23 . 1 1 7 7 LEU N N 7 118.800 118.800 118.282 0.518 25758 2413 1 23 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.726 0.124 25758 2414 1 23 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.918 -0.118 25758 2415 1 23 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.660 -1.160 25758 2416 1 23 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.804 -0.324 25758 2417 1 23 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.865 0.435 25758 2418 1 23 . 1 1 9 9 LYS N N 9 122.700 122.700 119.165 3.535 25758 2419 1 23 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.996 0.064 25758 2420 1 23 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.691 3.009 25758 2421 1 23 . 1 1 10 10 SER N N 10 111.000 111.000 112.653 -1.653 25758 2422 1 23 . 1 1 10 10 SER HA H 10 4.030 4.030 4.404 -0.374 25758 2423 1 23 . 1 1 10 10 SER CA C 10 59.300 59.300 59.975 -0.675 25758 2424 1 23 . 1 1 10 10 SER CB C 10 62.100 62.100 62.895 -0.795 25758 2425 1 23 . 1 1 11 11 GLU N N 11 117.800 117.800 119.533 -1.733 25758 2426 1 23 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.592 -0.202 25758 2427 1 23 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.635 0.465 25758 2428 1 23 . 1 1 12 12 CYS N N 12 120.300 120.300 117.822 2.478 25758 2429 1 23 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.970 0.150 25758 2430 1 23 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.375 -4.375 25758 2431 1 23 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.837 11.663 25758 2432 1 23 . 1 1 13 13 THR N N 13 109.800 109.800 115.479 -5.679 25758 2433 1 23 . 1 1 13 13 THR HA H 13 4.490 4.490 4.714 -0.224 25758 2434 1 23 . 1 1 13 13 THR CA C 13 59.000 59.000 60.119 -1.119 25758 2435 1 23 . 1 1 13 13 THR CB C 13 70.900 70.900 71.850 -0.950 25758 2436 1 23 . 1 1 14 14 GLN N N 14 120.800 120.800 122.638 -1.838 25758 2437 1 23 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.293 -0.463 25758 2438 1 23 . 1 1 14 14 GLN CA C 14 59.100 59.100 58.665 0.435 25758 2439 1 23 . 1 1 15 15 PHE N N 15 118.300 118.300 119.743 -1.443 25758 2440 1 23 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.210 -0.060 25758 2441 1 23 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.560 -0.260 25758 2442 1 23 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.438 0.762 25758 2443 1 23 . 1 1 16 16 ARG N N 16 121.000 121.000 119.128 1.872 25758 2444 1 23 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.834 -0.244 25758 2445 1 23 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.793 0.807 25758 2446 1 23 . 1 1 17 17 CYS N N 17 115.200 115.200 117.151 -1.951 25758 2447 1 23 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.345 -0.145 25758 2448 1 23 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.525 -5.025 25758 2449 1 23 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.850 10.050 25758 2450 1 23 . 1 1 18 18 ARG N N 18 114.500 114.500 118.601 -4.101 25758 2451 1 23 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.149 -0.019 25758 2452 1 23 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.763 -0.763 25758 2453 1 23 . 1 1 19 19 THR N N 19 106.000 106.000 110.067 -4.067 25758 2454 1 23 . 1 1 19 19 THR HA H 19 4.310 4.310 4.332 -0.022 25758 2455 1 23 . 1 1 19 19 THR CA C 19 61.800 61.800 62.847 -1.047 25758 2456 1 23 . 1 1 19 19 THR CB C 19 71.200 71.200 69.941 1.259 25758 2457 1 23 . 1 1 20 20 SER N N 20 117.000 117.000 117.478 -0.478 25758 2458 1 23 . 1 1 20 20 SER HA H 20 5.060 5.060 4.663 0.397 25758 2459 1 23 . 1 1 20 20 SER CA C 20 56.100 56.100 57.322 -1.222 25758 2460 1 23 . 1 1 20 20 SER CB C 20 63.200 63.200 63.684 -0.484 25758 2461 1 23 . 1 1 21 21 MET N N 21 125.400 125.400 128.747 -3.347 25758 2462 1 23 . 1 1 21 21 MET HA H 21 4.150 4.150 4.206 -0.056 25758 2463 1 23 . 1 1 21 21 MET CA C 21 58.700 58.700 59.590 -0.890 25758 2464 1 23 . 1 1 21 21 MET CB C 21 32.300 32.300 32.735 -0.435 25758 2465 1 23 . 1 1 22 22 LYS N N 22 119.500 119.500 119.114 0.386 25758 2466 1 23 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.931 0.179 25758 2467 1 23 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.634 -0.434 25758 2468 1 23 . 1 1 23 23 TYR N N 23 118.900 118.900 117.269 1.631 25758 2469 1 23 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.153 -0.113 25758 2470 1 23 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.809 -1.609 25758 2471 1 23 . 1 1 24 24 ARG N N 24 117.400 117.400 118.248 -0.848 25758 2472 1 23 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.042 0.028 25758 2473 1 23 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.279 0.722 25758 2474 1 23 . 1 1 25 25 LEU N N 25 110.600 110.600 116.477 -5.877 25758 2475 1 23 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.286 0.124 25758 2476 1 23 . 1 1 25 25 LEU CA C 25 55.800 55.800 56.177 -0.377 25758 2477 1 23 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.778 1.923 25758 2478 1 23 . 1 1 26 26 ASN N N 26 113.400 113.400 116.020 -2.620 25758 2479 1 23 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.412 0.688 25758 2480 1 23 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.444 -0.344 25758 2481 1 23 . 1 1 27 27 LEU N N 27 117.000 117.000 119.477 -2.477 25758 2482 1 23 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.270 0.130 25758 2483 1 23 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.376 -0.276 25758 2484 1 23 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.175 0.325 25758 2485 1 23 . 1 1 28 28 CYS N N 28 118.600 118.600 115.272 3.328 25758 2486 1 23 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.757 0.703 25758 2487 1 23 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.927 -3.327 25758 2488 1 23 . 1 1 29 29 LYS N N 29 118.300 118.300 123.638 -5.338 25758 2489 1 23 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.390 -0.570 25758 2490 1 23 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.812 1.388 25758 2491 1 23 . 1 1 30 30 LYS N N 30 116.900 116.900 120.622 -3.722 25758 2492 1 23 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.156 -0.006 25758 2493 1 23 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.984 -0.284 25758 2494 1 23 . 1 1 31 31 THR N N 31 123.600 123.600 116.778 6.822 25758 2495 1 23 . 1 1 31 31 THR HA H 31 3.800 3.800 4.049 -0.249 25758 2496 1 23 . 1 1 31 31 THR CA C 31 68.400 68.400 66.280 2.120 25758 2497 1 23 . 1 1 31 31 THR CB C 31 67.800 67.800 68.899 -1.099 25758 2498 1 23 . 1 1 32 32 CYS N N 32 113.600 113.600 117.410 -3.810 25758 2499 1 23 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.338 0.502 25758 2500 1 23 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.992 -6.292 25758 2501 1 23 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.212 9.288 25758 2502 1 23 . 1 1 33 33 GLY N N 33 109.700 109.700 108.683 1.017 25758 2503 1 23 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.980 0.721 25758 2504 1 23 . 1 1 34 34 THR N N 34 113.800 113.800 112.942 0.858 25758 2505 1 23 . 1 1 34 34 THR HA H 34 4.320 4.320 4.441 -0.121 25758 2506 1 23 . 1 1 34 34 THR CA C 34 62.600 62.600 61.015 1.585 25758 2507 1 23 . 1 1 34 34 THR CB C 34 68.100 68.100 69.856 -1.756 25758 2508 1 24 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.429 0.321 25758 2509 1 24 . 1 1 3 3 CYS CA C 3 55.000 55.000 59.190 -4.190 25758 2510 1 24 . 1 1 4 4 LYS N N 4 124.800 124.800 123.991 0.809 25758 2511 1 24 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.620 -0.101 25758 2512 1 24 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.009 -0.209 25758 2513 1 24 . 1 1 4 4 LYS CB C 4 35.300 35.300 36.627 -1.327 25758 2514 1 24 . 1 1 5 5 ASP N N 5 120.600 120.600 118.213 2.387 25758 2515 1 24 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.944 0.016 25758 2516 1 24 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.496 0.704 25758 2517 1 24 . 1 1 6 6 TYR N N 6 120.400 120.400 122.239 -1.839 25758 2518 1 24 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.528 0.142 25758 2519 1 24 . 1 1 6 6 TYR CA C 6 58.200 58.200 59.577 -1.377 25758 2520 1 24 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.628 -0.528 25758 2521 1 24 . 1 1 7 7 LEU N N 7 118.800 118.800 118.218 0.582 25758 2522 1 24 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.819 0.031 25758 2523 1 24 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.511 0.289 25758 2524 1 24 . 1 1 7 7 LEU CB C 7 43.500 43.500 45.012 -1.512 25758 2525 1 24 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.675 -0.195 25758 2526 1 24 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.825 0.474 25758 2527 1 24 . 1 1 9 9 LYS N N 9 122.700 122.700 119.165 3.535 25758 2528 1 24 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.987 0.073 25758 2529 1 24 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.412 3.288 25758 2530 1 24 . 1 1 10 10 SER N N 10 111.000 111.000 113.038 -2.038 25758 2531 1 24 . 1 1 10 10 SER HA H 10 4.030 4.030 4.457 -0.427 25758 2532 1 24 . 1 1 10 10 SER CA C 10 59.300 59.300 60.183 -0.883 25758 2533 1 24 . 1 1 10 10 SER CB C 10 62.100 62.100 63.081 -0.981 25758 2534 1 24 . 1 1 11 11 GLU N N 11 117.800 117.800 120.487 -2.687 25758 2535 1 24 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.492 -0.102 25758 2536 1 24 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.538 0.562 25758 2537 1 24 . 1 1 12 12 CYS N N 12 120.300 120.300 120.098 0.202 25758 2538 1 24 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.845 0.275 25758 2539 1 24 . 1 1 12 12 CYS CA C 12 52.000 52.000 58.271 -6.271 25758 2540 1 24 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.479 11.021 25758 2541 1 24 . 1 1 13 13 THR N N 13 109.800 109.800 118.345 -8.545 25758 2542 1 24 . 1 1 13 13 THR HA H 13 4.490 4.490 4.791 -0.301 25758 2543 1 24 . 1 1 13 13 THR CA C 13 59.000 59.000 60.497 -1.497 25758 2544 1 24 . 1 1 13 13 THR CB C 13 70.900 70.900 71.373 -0.473 25758 2545 1 24 . 1 1 14 14 GLN N N 14 120.800 120.800 123.074 -2.274 25758 2546 1 24 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.236 -0.406 25758 2547 1 24 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.812 -0.712 25758 2548 1 24 . 1 1 15 15 PHE N N 15 118.300 118.300 118.646 -0.346 25758 2549 1 24 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.216 -0.066 25758 2550 1 24 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.575 -0.275 25758 2551 1 24 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.603 0.597 25758 2552 1 24 . 1 1 16 16 ARG N N 16 121.000 121.000 120.028 0.972 25758 2553 1 24 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.990 -0.400 25758 2554 1 24 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.431 1.169 25758 2555 1 24 . 1 1 17 17 CYS N N 17 115.200 115.200 115.526 -0.326 25758 2556 1 24 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.336 -0.136 25758 2557 1 24 . 1 1 17 17 CYS CA C 17 56.500 56.500 60.383 -3.883 25758 2558 1 24 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.797 10.103 25758 2559 1 24 . 1 1 18 18 ARG N N 18 114.500 114.500 118.739 -4.239 25758 2560 1 24 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.309 -0.179 25758 2561 1 24 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.175 -0.175 25758 2562 1 24 . 1 1 19 19 THR N N 19 106.000 106.000 110.640 -4.640 25758 2563 1 24 . 1 1 19 19 THR HA H 19 4.310 4.310 4.350 -0.040 25758 2564 1 24 . 1 1 19 19 THR CA C 19 61.800 61.800 63.107 -1.307 25758 2565 1 24 . 1 1 19 19 THR CB C 19 71.200 71.200 69.756 1.444 25758 2566 1 24 . 1 1 20 20 SER N N 20 117.000 117.000 120.944 -3.944 25758 2567 1 24 . 1 1 20 20 SER HA H 20 5.060 5.060 4.625 0.435 25758 2568 1 24 . 1 1 20 20 SER CA C 20 56.100 56.100 58.584 -2.484 25758 2569 1 24 . 1 1 20 20 SER CB C 20 63.200 63.200 62.253 0.947 25758 2570 1 24 . 1 1 21 21 MET N N 21 125.400 125.400 126.290 -0.890 25758 2571 1 24 . 1 1 21 21 MET HA H 21 4.150 4.150 3.970 0.180 25758 2572 1 24 . 1 1 21 21 MET CA C 21 58.700 58.700 60.441 -1.741 25758 2573 1 24 . 1 1 21 21 MET CB C 21 32.300 32.300 32.400 -0.100 25758 2574 1 24 . 1 1 22 22 LYS N N 22 119.500 119.500 118.822 0.678 25758 2575 1 24 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.953 0.157 25758 2576 1 24 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.788 -0.588 25758 2577 1 24 . 1 1 23 23 TYR N N 23 118.900 118.900 117.935 0.965 25758 2578 1 24 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.147 -0.107 25758 2579 1 24 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.576 -1.376 25758 2580 1 24 . 1 1 24 24 ARG N N 24 117.400 117.400 118.343 -0.943 25758 2581 1 24 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.029 0.041 25758 2582 1 24 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.267 0.733 25758 2583 1 24 . 1 1 25 25 LEU N N 25 110.600 110.600 116.373 -5.773 25758 2584 1 24 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.324 0.086 25758 2585 1 24 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.730 0.070 25758 2586 1 24 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.990 1.710 25758 2587 1 24 . 1 1 26 26 ASN N N 26 113.400 113.400 116.435 -3.035 25758 2588 1 24 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.449 0.651 25758 2589 1 24 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.589 -0.489 25758 2590 1 24 . 1 1 27 27 LEU N N 27 117.000 117.000 118.686 -1.686 25758 2591 1 24 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.254 0.146 25758 2592 1 24 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.672 -0.572 25758 2593 1 24 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.729 -0.229 25758 2594 1 24 . 1 1 28 28 CYS N N 28 118.600 118.600 115.701 2.899 25758 2595 1 24 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.744 0.716 25758 2596 1 24 . 1 1 28 28 CYS CA C 28 53.600 53.600 56.992 -3.392 25758 2597 1 24 . 1 1 29 29 LYS N N 29 118.300 118.300 124.257 -5.957 25758 2598 1 24 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.423 -0.603 25758 2599 1 24 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.415 1.785 25758 2600 1 24 . 1 1 30 30 LYS N N 30 116.900 116.900 120.859 -3.959 25758 2601 1 24 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.097 0.053 25758 2602 1 24 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.120 -0.420 25758 2603 1 24 . 1 1 31 31 THR N N 31 123.600 123.600 115.945 7.655 25758 2604 1 24 . 1 1 31 31 THR HA H 31 3.800 3.800 4.041 -0.241 25758 2605 1 24 . 1 1 31 31 THR CA C 31 68.400 68.400 66.038 2.361 25758 2606 1 24 . 1 1 31 31 THR CB C 31 67.800 67.800 68.964 -1.164 25758 2607 1 24 . 1 1 32 32 CYS N N 32 113.600 113.600 114.288 -0.688 25758 2608 1 24 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.536 0.304 25758 2609 1 24 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.026 -5.326 25758 2610 1 24 . 1 1 32 32 CYS CB C 32 35.500 35.500 27.049 8.451 25758 2611 1 24 . 1 1 33 33 GLY N N 33 109.700 109.700 110.042 -0.342 25758 2612 1 24 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.029 0.672 25758 2613 1 24 . 1 1 34 34 THR N N 34 113.800 113.800 113.295 0.505 25758 2614 1 24 . 1 1 34 34 THR HA H 34 4.320 4.320 4.336 -0.016 25758 2615 1 24 . 1 1 34 34 THR CA C 34 62.600 62.600 62.545 0.054 25758 2616 1 24 . 1 1 34 34 THR CB C 34 68.100 68.100 69.940 -1.840 25758 2617 1 25 . 1 1 3 3 CYS HA H 3 4.750 4.750 4.865 -0.115 25758 2618 1 25 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.412 -3.412 25758 2619 1 25 . 1 1 4 4 LYS N N 4 124.800 124.800 124.314 0.486 25758 2620 1 25 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.591 -0.071 25758 2621 1 25 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.449 -0.649 25758 2622 1 25 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.880 -0.580 25758 2623 1 25 . 1 1 5 5 ASP N N 5 120.600 120.600 118.777 1.823 25758 2624 1 25 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.973 -0.013 25758 2625 1 25 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.304 0.895 25758 2626 1 25 . 1 1 6 6 TYR N N 6 120.400 120.400 120.888 -0.488 25758 2627 1 25 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.618 0.052 25758 2628 1 25 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.479 -0.279 25758 2629 1 25 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.511 -0.411 25758 2630 1 25 . 1 1 7 7 LEU N N 7 118.800 118.800 118.369 0.431 25758 2631 1 25 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.728 0.122 25758 2632 1 25 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.846 -0.046 25758 2633 1 25 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.712 -1.212 25758 2634 1 25 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.773 -0.293 25758 2635 1 25 . 1 1 8 8 PRO CA C 8 62.300 62.300 61.813 0.487 25758 2636 1 25 . 1 1 9 9 LYS N N 9 122.700 122.700 119.055 3.645 25758 2637 1 25 . 1 1 9 9 LYS HA H 9 4.060 4.060 4.006 0.054 25758 2638 1 25 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.485 3.215 25758 2639 1 25 . 1 1 10 10 SER N N 10 111.000 111.000 111.480 -0.480 25758 2640 1 25 . 1 1 10 10 SER HA H 10 4.030 4.030 4.467 -0.437 25758 2641 1 25 . 1 1 10 10 SER CA C 10 59.300 59.300 59.567 -0.267 25758 2642 1 25 . 1 1 10 10 SER CB C 10 62.100 62.100 62.845 -0.745 25758 2643 1 25 . 1 1 11 11 GLU N N 11 117.800 117.800 120.032 -2.232 25758 2644 1 25 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.568 -0.178 25758 2645 1 25 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.634 0.466 25758 2646 1 25 . 1 1 12 12 CYS N N 12 120.300 120.300 119.479 0.821 25758 2647 1 25 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.917 0.203 25758 2648 1 25 . 1 1 12 12 CYS CA C 12 52.000 52.000 56.476 -4.476 25758 2649 1 25 . 1 1 12 12 CYS CB C 12 37.500 37.500 25.536 11.964 25758 2650 1 25 . 1 1 13 13 THR N N 13 109.800 109.800 115.070 -5.270 25758 2651 1 25 . 1 1 13 13 THR HA H 13 4.490 4.490 4.722 -0.232 25758 2652 1 25 . 1 1 13 13 THR CA C 13 59.000 59.000 60.303 -1.302 25758 2653 1 25 . 1 1 13 13 THR CB C 13 70.900 70.900 71.634 -0.734 25758 2654 1 25 . 1 1 14 14 GLN N N 14 120.800 120.800 122.605 -1.805 25758 2655 1 25 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.363 -0.533 25758 2656 1 25 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.745 -0.645 25758 2657 1 25 . 1 1 15 15 PHE N N 15 118.300 118.300 118.198 0.102 25758 2658 1 25 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.299 -0.149 25758 2659 1 25 . 1 1 15 15 PHE CA C 15 61.300 61.300 60.685 0.615 25758 2660 1 25 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.626 0.574 25758 2661 1 25 . 1 1 16 16 ARG N N 16 121.000 121.000 119.245 1.755 25758 2662 1 25 . 1 1 16 16 ARG HA H 16 3.590 3.590 4.070 -0.480 25758 2663 1 25 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.291 1.309 25758 2664 1 25 . 1 1 17 17 CYS N N 17 115.200 115.200 117.299 -2.099 25758 2665 1 25 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.405 -0.205 25758 2666 1 25 . 1 1 17 17 CYS CA C 17 56.500 56.500 62.017 -5.517 25758 2667 1 25 . 1 1 17 17 CYS CB C 17 35.900 35.900 26.034 9.866 25758 2668 1 25 . 1 1 18 18 ARG N N 18 114.500 114.500 118.160 -3.660 25758 2669 1 25 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.186 -0.056 25758 2670 1 25 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.849 -0.849 25758 2671 1 25 . 1 1 19 19 THR N N 19 106.000 106.000 109.632 -3.632 25758 2672 1 25 . 1 1 19 19 THR HA H 19 4.310 4.310 4.374 -0.064 25758 2673 1 25 . 1 1 19 19 THR CA C 19 61.800 61.800 62.210 -0.410 25758 2674 1 25 . 1 1 19 19 THR CB C 19 71.200 71.200 69.397 1.804 25758 2675 1 25 . 1 1 20 20 SER N N 20 117.000 117.000 118.073 -1.073 25758 2676 1 25 . 1 1 20 20 SER HA H 20 5.060 5.060 4.749 0.311 25758 2677 1 25 . 1 1 20 20 SER CA C 20 56.100 56.100 57.577 -1.477 25758 2678 1 25 . 1 1 20 20 SER CB C 20 63.200 63.200 64.194 -0.994 25758 2679 1 25 . 1 1 21 21 MET N N 21 125.400 125.400 127.314 -1.914 25758 2680 1 25 . 1 1 21 21 MET HA H 21 4.150 4.150 4.196 -0.046 25758 2681 1 25 . 1 1 21 21 MET CA C 21 58.700 58.700 59.512 -0.812 25758 2682 1 25 . 1 1 21 21 MET CB C 21 32.300 32.300 32.870 -0.570 25758 2683 1 25 . 1 1 22 22 LYS N N 22 119.500 119.500 118.931 0.569 25758 2684 1 25 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.997 0.113 25758 2685 1 25 . 1 1 22 22 LYS CA C 22 59.200 59.200 58.927 0.273 25758 2686 1 25 . 1 1 23 23 TYR N N 23 118.900 118.900 116.241 2.659 25758 2687 1 25 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.333 -0.293 25758 2688 1 25 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.932 -1.732 25758 2689 1 25 . 1 1 24 24 ARG N N 24 117.400 117.400 118.995 -1.595 25758 2690 1 25 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.180 -0.110 25758 2691 1 25 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.310 0.689 25758 2692 1 25 . 1 1 25 25 LEU N N 25 110.600 110.600 116.477 -5.877 25758 2693 1 25 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.278 0.132 25758 2694 1 25 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.635 0.165 25758 2695 1 25 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.965 1.735 25758 2696 1 25 . 1 1 26 26 ASN N N 26 113.400 113.400 116.542 -3.142 25758 2697 1 25 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.357 0.743 25758 2698 1 25 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.483 -0.383 25758 2699 1 25 . 1 1 27 27 LEU N N 27 117.000 117.000 118.587 -1.587 25758 2700 1 25 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.501 -0.101 25758 2701 1 25 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.509 -0.409 25758 2702 1 25 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.336 0.164 25758 2703 1 25 . 1 1 28 28 CYS N N 28 118.600 118.600 116.910 1.690 25758 2704 1 25 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.788 0.672 25758 2705 1 25 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.752 -4.152 25758 2706 1 25 . 1 1 29 29 LYS N N 29 118.300 118.300 124.312 -6.012 25758 2707 1 25 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.317 -0.497 25758 2708 1 25 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.953 1.247 25758 2709 1 25 . 1 1 30 30 LYS N N 30 116.900 116.900 120.861 -3.961 25758 2710 1 25 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.157 -0.007 25758 2711 1 25 . 1 1 30 30 LYS CA C 30 58.700 58.700 59.096 -0.396 25758 2712 1 25 . 1 1 31 31 THR N N 31 123.600 123.600 117.471 6.129 25758 2713 1 25 . 1 1 31 31 THR HA H 31 3.800 3.800 4.006 -0.206 25758 2714 1 25 . 1 1 31 31 THR CA C 31 68.400 68.400 66.936 1.464 25758 2715 1 25 . 1 1 31 31 THR CB C 31 67.800 67.800 68.793 -0.993 25758 2716 1 25 . 1 1 32 32 CYS N N 32 113.600 113.600 117.321 -3.721 25758 2717 1 25 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.298 0.542 25758 2718 1 25 . 1 1 32 32 CYS CA C 32 52.700 52.700 59.127 -6.427 25758 2719 1 25 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.215 9.285 25758 2720 1 25 . 1 1 33 33 GLY N N 33 109.700 109.700 108.573 1.127 25758 2721 1 25 . 1 1 33 33 GLY CA C 33 46.700 46.700 45.973 0.727 25758 2722 1 25 . 1 1 34 34 THR N N 34 113.800 113.800 112.565 1.235 25758 2723 1 25 . 1 1 34 34 THR HA H 34 4.320 4.320 4.430 -0.110 25758 2724 1 25 . 1 1 34 34 THR CA C 34 62.600 62.600 61.377 1.223 25758 2725 1 25 . 1 1 34 34 THR CB C 34 68.100 68.100 70.008 -1.908 25758 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 30 3.333 1.045 3.219 25758 2 1 1 "Average Difference" HA 32 0.295 0.026 0.298 25758 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25758 4 1 1 "Average Difference" CA 32 2.200 0.721 2.112 25758 5 1 1 "Average Difference" CB 16 4.421 -1.541 4.279 25758 6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 25758 7 1 2 "Average Difference" N 30 3.397 1.040 3.289 25758 8 1 2 "Average Difference" HA 32 0.294 0.022 0.297 25758 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25758 10 1 2 "Average Difference" CA 32 2.259 0.711 2.178 25758 11 1 2 "Average Difference" CB 16 4.386 -1.551 4.237 25758 12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 25758 13 1 3 "Average Difference" N 30 3.492 1.028 3.395 25758 14 1 3 "Average Difference" HA 32 0.273 0.008 0.277 25758 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25758 16 1 3 "Average Difference" CA 32 2.151 0.654 2.082 25758 17 1 3 "Average Difference" CB 16 4.372 -1.564 4.217 25758 18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 25758 19 1 4 "Average Difference" N 30 3.327 1.005 3.225 25758 20 1 4 "Average Difference" HA 32 0.304 0.008 0.309 25758 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25758 22 1 4 "Average Difference" CA 32 2.306 0.736 2.220 25758 23 1 4 "Average Difference" CB 16 4.430 -1.541 4.289 25758 24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 25758 25 1 5 "Average Difference" N 30 3.427 0.893 3.365 25758 26 1 5 "Average Difference" HA 32 0.290 0.005 0.295 25758 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25758 28 1 5 "Average Difference" CA 32 2.144 0.610 2.088 25758 29 1 5 "Average Difference" CB 16 4.378 -1.643 4.191 25758 30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 25758 31 1 6 "Average Difference" N 30 3.254 0.889 3.184 25758 32 1 6 "Average Difference" HA 32 0.312 -0.016 0.317 25758 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25758 34 1 6 "Average Difference" CA 32 2.212 0.728 2.122 25758 35 1 6 "Average Difference" CB 16 4.650 -1.613 4.504 25758 36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 25758 37 1 7 "Average Difference" N 30 3.559 0.995 3.476 25758 38 1 7 "Average Difference" HA 32 0.282 0.003 0.286 25758 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25758 40 1 7 "Average Difference" CA 32 2.133 0.716 2.041 25758 41 1 7 "Average Difference" CB 16 4.428 -1.638 4.249 25758 42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 25758 43 1 8 "Average Difference" N 30 3.285 1.230 3.098 25758 44 1 8 "Average Difference" HA 32 0.299 -0.024 0.303 25758 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25758 46 1 8 "Average Difference" CA 32 2.322 0.771 2.225 25758 47 1 8 "Average Difference" CB 16 4.470 -1.564 4.325 25758 48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 25758 49 1 9 "Average Difference" N 30 3.214 0.900 3.138 25758 50 1 9 "Average Difference" HA 32 0.291 -0.022 0.294 25758 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25758 52 1 9 "Average Difference" CA 32 2.045 0.690 1.956 25758 53 1 9 "Average Difference" CB 16 4.601 -1.750 4.395 25758 54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 25758 55 1 10 "Average Difference" N 30 3.152 0.741 3.116 25758 56 1 10 "Average Difference" HA 32 0.292 0.006 0.296 25758 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25758 58 1 10 "Average Difference" CA 32 2.043 0.649 1.969 25758 59 1 10 "Average Difference" CB 16 4.483 -1.633 4.312 25758 60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 25758 61 1 11 "Average Difference" N 30 3.111 0.800 3.058 25758 62 1 11 "Average Difference" HA 32 0.271 -0.025 0.274 25758 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25758 64 1 11 "Average Difference" CA 32 2.020 0.721 1.917 25758 65 1 11 "Average Difference" CB 16 4.427 -1.678 4.232 25758 66 1 11 "Average Difference" HN 0 0.000 0.000 0.000 25758 67 1 12 "Average Difference" N 30 3.128 1.013 3.011 25758 68 1 12 "Average Difference" HA 32 0.305 0.017 0.309 25758 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25758 70 1 12 "Average Difference" CA 32 2.217 0.729 2.128 25758 71 1 12 "Average Difference" CB 16 4.398 -1.429 4.295 25758 72 1 12 "Average Difference" HN 0 0.000 0.000 0.000 25758 73 1 13 "Average Difference" N 30 3.186 1.004 3.075 25758 74 1 13 "Average Difference" HA 32 0.297 -0.042 0.299 25758 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25758 76 1 13 "Average Difference" CA 32 2.169 0.771 2.060 25758 77 1 13 "Average Difference" CB 16 4.593 -1.664 4.421 25758 78 1 13 "Average Difference" HN 0 0.000 0.000 0.000 25758 79 1 14 "Average Difference" N 30 3.533 1.080 3.421 25758 80 1 14 "Average Difference" HA 32 0.279 0.014 0.283 25758 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25758 82 1 14 "Average Difference" CA 32 2.214 0.731 2.123 25758 83 1 14 "Average Difference" CB 16 4.465 -1.727 4.253 25758 84 1 14 "Average Difference" HN 0 0.000 0.000 0.000 25758 85 1 15 "Average Difference" N 30 3.202 0.912 3.122 25758 86 1 15 "Average Difference" HA 32 0.282 0.009 0.286 25758 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25758 88 1 15 "Average Difference" CA 32 1.944 0.648 1.862 25758 89 1 15 "Average Difference" CB 16 4.480 -1.755 4.257 25758 90 1 15 "Average Difference" HN 0 0.000 0.000 0.000 25758 91 1 16 "Average Difference" N 30 3.177 0.768 3.136 25758 92 1 16 "Average Difference" HA 32 0.288 -0.005 0.292 25758 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25758 94 1 16 "Average Difference" CA 32 2.052 0.669 1.971 25758 95 1 16 "Average Difference" CB 16 4.529 -1.582 4.383 25758 96 1 16 "Average Difference" HN 0 0.000 0.000 0.000 25758 97 1 17 "Average Difference" N 30 3.233 0.781 3.191 25758 98 1 17 "Average Difference" HA 32 0.266 -0.009 0.270 25758 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25758 100 1 17 "Average Difference" CA 32 2.123 0.693 2.039 25758 101 1 17 "Average Difference" CB 16 4.582 -1.593 4.437 25758 102 1 17 "Average Difference" HN 0 0.000 0.000 0.000 25758 103 1 18 "Average Difference" N 30 3.280 0.881 3.214 25758 104 1 18 "Average Difference" HA 32 0.294 0.011 0.298 25758 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25758 106 1 18 "Average Difference" CA 32 2.158 0.699 2.074 25758 107 1 18 "Average Difference" CB 16 4.592 -1.687 4.412 25758 108 1 18 "Average Difference" HN 0 0.000 0.000 0.000 25758 109 1 19 "Average Difference" N 30 3.150 1.046 3.023 25758 110 1 19 "Average Difference" HA 32 0.316 0.044 0.318 25758 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25758 112 1 19 "Average Difference" CA 32 2.173 0.455 2.159 25758 113 1 19 "Average Difference" CB 16 4.657 -1.606 4.515 25758 114 1 19 "Average Difference" HN 0 0.000 0.000 0.000 25758 115 1 20 "Average Difference" N 30 3.475 1.402 3.234 25758 116 1 20 "Average Difference" HA 32 0.306 -0.006 0.311 25758 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25758 118 1 20 "Average Difference" CA 32 2.323 0.771 2.227 25758 119 1 20 "Average Difference" CB 16 4.401 -1.584 4.241 25758 120 1 20 "Average Difference" HN 0 0.000 0.000 0.000 25758 121 1 21 "Average Difference" N 30 3.451 0.867 3.397 25758 122 1 21 "Average Difference" HA 32 0.299 -0.037 0.301 25758 123 1 21 "Average Difference" C 0 0.000 0.000 0.000 25758 124 1 21 "Average Difference" CA 32 2.129 0.795 2.007 25758 125 1 21 "Average Difference" CB 16 4.464 -1.844 4.199 25758 126 1 21 "Average Difference" HN 0 0.000 0.000 0.000 25758 127 1 22 "Average Difference" N 30 3.179 0.918 3.096 25758 128 1 22 "Average Difference" HA 32 0.279 0.020 0.282 25758 129 1 22 "Average Difference" C 0 0.000 0.000 0.000 25758 130 1 22 "Average Difference" CA 32 2.056 0.679 1.972 25758 131 1 22 "Average Difference" CB 16 4.496 -1.691 4.302 25758 132 1 22 "Average Difference" HN 0 0.000 0.000 0.000 25758 133 1 23 "Average Difference" N 30 3.190 0.764 3.149 25758 134 1 23 "Average Difference" HA 32 0.296 -0.002 0.301 25758 135 1 23 "Average Difference" C 0 0.000 0.000 0.000 25758 136 1 23 "Average Difference" CA 32 2.035 0.607 1.974 25758 137 1 23 "Average Difference" CB 16 4.591 -1.754 4.382 25758 138 1 23 "Average Difference" HN 0 0.000 0.000 0.000 25758 139 1 24 "Average Difference" N 30 3.346 1.099 3.214 25758 140 1 24 "Average Difference" HA 32 0.295 -0.021 0.299 25758 141 1 24 "Average Difference" C 0 0.000 0.000 0.000 25758 142 1 24 "Average Difference" CA 32 2.196 0.781 2.085 25758 143 1 24 "Average Difference" CB 16 4.413 -1.632 4.234 25758 144 1 24 "Average Difference" HN 0 0.000 0.000 0.000 25758 145 1 25 "Average Difference" N 30 2.937 0.869 2.854 25758 146 1 25 "Average Difference" HA 32 0.309 0.026 0.313 25758 147 1 25 "Average Difference" C 0 0.000 0.000 0.000 25758 148 1 25 "Average Difference" CA 32 2.169 0.652 2.102 25758 149 1 25 "Average Difference" CB 16 4.626 -1.703 4.442 25758 150 1 25 "Average Difference" HN 0 0.000 0.000 0.000 25758 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 25758 _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 3 3 CYS HA H 3 4.750 4.750 4.697 0.053 25758 2 1 . 1 1 3 3 CYS CA C 3 55.000 55.000 58.438 -3.438 25758 3 1 . 1 1 4 4 LYS N N 4 124.800 124.800 122.385 2.415 25758 4 1 . 1 1 4 4 LYS HA H 4 4.520 4.520 4.573 -0.053 25758 5 1 . 1 1 4 4 LYS CA C 4 54.800 54.800 55.301 -0.501 25758 6 1 . 1 1 4 4 LYS CB C 4 35.300 35.300 35.808 -0.508 25758 7 1 . 1 1 5 5 ASP N N 5 120.600 120.600 118.447 2.153 25758 8 1 . 1 1 5 5 ASP HA H 5 4.960 4.960 4.957 0.003 25758 9 1 . 1 1 5 5 ASP CA C 5 54.200 54.200 53.391 0.809 25758 10 1 . 1 1 6 6 TYR N N 6 120.400 120.400 121.330 -0.930 25758 11 1 . 1 1 6 6 TYR HA H 6 4.670 4.670 4.589 0.081 25758 12 1 . 1 1 6 6 TYR CA C 6 58.200 58.200 58.836 -0.636 25758 13 1 . 1 1 6 6 TYR CB C 6 39.100 39.100 39.763 -0.663 25758 14 1 . 1 1 7 7 LEU N N 7 118.800 118.800 118.416 0.384 25758 15 1 . 1 1 7 7 LEU HA H 7 4.850 4.850 4.758 0.092 25758 16 1 . 1 1 7 7 LEU CA C 7 51.800 51.800 51.674 0.126 25758 17 1 . 1 1 7 7 LEU CB C 7 43.500 43.500 44.721 -1.221 25758 18 1 . 1 1 8 8 PRO HA H 8 4.480 4.480 4.704 -0.224 25758 19 1 . 1 1 8 8 PRO CA C 8 62.300 62.300 62.004 0.296 25758 20 1 . 1 1 9 9 LYS N N 9 122.700 122.700 119.151 3.549 25758 21 1 . 1 1 9 9 LYS HA H 9 4.060 4.060 3.993 0.067 25758 22 1 . 1 1 9 9 LYS CA C 9 62.700 62.700 59.488 3.212 25758 23 1 . 1 1 10 10 SER N N 10 111.000 111.000 112.314 -1.314 25758 24 1 . 1 1 10 10 SER HA H 10 4.030 4.030 4.398 -0.368 25758 25 1 . 1 1 10 10 SER CA C 10 59.300 59.300 60.168 -0.868 25758 26 1 . 1 1 10 10 SER CB C 10 62.100 62.100 62.892 -0.792 25758 27 1 . 1 1 11 11 GLU N N 11 117.800 117.800 120.195 -2.395 25758 28 1 . 1 1 11 11 GLU HA H 11 4.390 4.390 4.508 -0.118 25758 29 1 . 1 1 11 11 GLU CA C 11 58.100 58.100 57.919 0.181 25758 30 1 . 1 1 12 12 CYS N N 12 120.300 120.300 119.528 0.772 25758 31 1 . 1 1 12 12 CYS HA H 12 5.120 5.120 4.936 0.184 25758 32 1 . 1 1 12 12 CYS CA C 12 52.000 52.000 57.317 -5.317 25758 33 1 . 1 1 12 12 CYS CB C 12 37.500 37.500 26.259 11.241 25758 34 1 . 1 1 13 13 THR N N 13 109.800 109.800 116.677 -6.877 25758 35 1 . 1 1 13 13 THR HA H 13 4.490 4.490 4.732 -0.242 25758 36 1 . 1 1 13 13 THR CA C 13 59.000 59.000 60.294 -1.294 25758 37 1 . 1 1 13 13 THR CB C 13 70.900 70.900 71.695 -0.795 25758 38 1 . 1 1 14 14 GLN N N 14 120.800 120.800 123.295 -2.495 25758 39 1 . 1 1 14 14 GLN HA H 14 3.830 3.830 4.284 -0.454 25758 40 1 . 1 1 14 14 GLN CA C 14 59.100 59.100 59.253 -0.153 25758 41 1 . 1 1 15 15 PHE N N 15 118.300 118.300 119.257 -0.957 25758 42 1 . 1 1 15 15 PHE HA H 15 4.150 4.150 4.205 -0.055 25758 43 1 . 1 1 15 15 PHE CA C 15 61.300 61.300 61.437 -0.137 25758 44 1 . 1 1 15 15 PHE CB C 15 39.200 39.200 38.498 0.702 25758 45 1 . 1 1 16 16 ARG N N 16 121.000 121.000 119.523 1.477 25758 46 1 . 1 1 16 16 ARG HA H 16 3.590 3.590 3.900 -0.310 25758 47 1 . 1 1 16 16 ARG CA C 16 59.600 59.600 58.679 0.921 25758 48 1 . 1 1 17 17 CYS N N 17 115.200 115.200 116.358 -1.158 25758 49 1 . 1 1 17 17 CYS HA H 17 4.200 4.200 4.474 -0.274 25758 50 1 . 1 1 17 17 CYS CA C 17 56.500 56.500 61.128 -4.628 25758 51 1 . 1 1 17 17 CYS CB C 17 35.900 35.900 25.982 9.918 25758 52 1 . 1 1 18 18 ARG N N 18 114.500 114.500 118.693 -4.193 25758 53 1 . 1 1 18 18 ARG HA H 18 4.130 4.130 4.165 -0.035 25758 54 1 . 1 1 18 18 ARG CA C 18 58.000 58.000 58.728 -0.728 25758 55 1 . 1 1 19 19 THR N N 19 106.000 106.000 110.101 -4.101 25758 56 1 . 1 1 19 19 THR HA H 19 4.310 4.310 4.346 -0.036 25758 57 1 . 1 1 19 19 THR CA C 19 61.800 61.800 62.620 -0.820 25758 58 1 . 1 1 19 19 THR CB C 19 71.200 71.200 69.783 1.417 25758 59 1 . 1 1 20 20 SER N N 20 117.000 117.000 118.192 -1.192 25758 60 1 . 1 1 20 20 SER HA H 20 5.060 5.060 4.684 0.376 25758 61 1 . 1 1 20 20 SER CA C 20 56.100 56.100 57.586 -1.486 25758 62 1 . 1 1 20 20 SER CB C 20 63.200 63.200 63.889 -0.689 25758 63 1 . 1 1 21 21 MET N N 21 125.400 125.400 127.535 -2.135 25758 64 1 . 1 1 21 21 MET HA H 21 4.150 4.150 4.215 -0.065 25758 65 1 . 1 1 21 21 MET CA C 21 58.700 58.700 59.392 -0.692 25758 66 1 . 1 1 21 21 MET CB C 21 32.300 32.300 32.716 -0.416 25758 67 1 . 1 1 22 22 LYS N N 22 119.500 119.500 119.592 -0.092 25758 68 1 . 1 1 22 22 LYS HA H 22 4.110 4.110 3.958 0.152 25758 69 1 . 1 1 22 22 LYS CA C 22 59.200 59.200 59.565 -0.365 25758 70 1 . 1 1 23 23 TYR N N 23 118.900 118.900 117.217 1.683 25758 71 1 . 1 1 23 23 TYR HA H 23 4.040 4.040 4.192 -0.152 25758 72 1 . 1 1 23 23 TYR CA C 23 60.200 60.200 61.837 -1.637 25758 73 1 . 1 1 24 24 ARG N N 24 117.400 117.400 118.215 -0.815 25758 74 1 . 1 1 24 24 ARG HA H 24 4.070 4.070 4.158 -0.088 25758 75 1 . 1 1 24 24 ARG CA C 24 60.000 60.000 59.025 0.975 25758 76 1 . 1 1 25 25 LEU N N 25 110.600 110.600 116.605 -6.005 25758 77 1 . 1 1 25 25 LEU HA H 25 4.410 4.410 4.311 0.099 25758 78 1 . 1 1 25 25 LEU CA C 25 55.800 55.800 55.738 0.062 25758 79 1 . 1 1 25 25 LEU CB C 25 42.700 42.700 40.964 1.736 25758 80 1 . 1 1 26 26 ASN N N 26 113.400 113.400 116.594 -3.194 25758 81 1 . 1 1 26 26 ASN HA H 26 5.100 5.100 4.424 0.676 25758 82 1 . 1 1 26 26 ASN CA C 26 55.100 55.100 55.614 -0.514 25758 83 1 . 1 1 27 27 LEU N N 27 117.000 117.000 118.890 -1.890 25758 84 1 . 1 1 27 27 LEU HA H 27 4.400 4.400 4.388 0.012 25758 85 1 . 1 1 27 27 LEU CA C 27 55.100 55.100 55.724 -0.624 25758 86 1 . 1 1 27 27 LEU CB C 27 43.500 43.500 43.412 0.088 25758 87 1 . 1 1 28 28 CYS N N 28 118.600 118.600 115.782 2.818 25758 88 1 . 1 1 28 28 CYS HA H 28 5.460 5.460 4.794 0.666 25758 89 1 . 1 1 28 28 CYS CA C 28 53.600 53.600 57.035 -3.435 25758 90 1 . 1 1 29 29 LYS N N 29 118.300 118.300 124.311 -6.011 25758 91 1 . 1 1 29 29 LYS HA H 29 3.820 3.820 4.299 -0.479 25758 92 1 . 1 1 29 29 LYS CA C 29 60.200 60.200 58.718 1.482 25758 93 1 . 1 1 30 30 LYS N N 30 116.900 116.900 120.674 -3.774 25758 94 1 . 1 1 30 30 LYS HA H 30 4.150 4.150 4.183 -0.033 25758 95 1 . 1 1 30 30 LYS CA C 30 58.700 58.700 58.975 -0.275 25758 96 1 . 1 1 31 31 THR N N 31 123.600 123.600 116.508 7.092 25758 97 1 . 1 1 31 31 THR HA H 31 3.800 3.800 4.063 -0.263 25758 98 1 . 1 1 31 31 THR CA C 31 68.400 68.400 66.291 2.109 25758 99 1 . 1 1 31 31 THR CB C 31 67.800 67.800 68.775 -0.975 25758 100 1 . 1 1 32 32 CYS N N 32 113.600 113.600 117.148 -3.548 25758 101 1 . 1 1 32 32 CYS HA H 32 4.840 4.840 4.359 0.481 25758 102 1 . 1 1 32 32 CYS CA C 32 52.700 52.700 58.895 -6.195 25758 103 1 . 1 1 32 32 CYS CB C 32 35.500 35.500 26.408 9.092 25758 104 1 . 1 1 33 33 GLY N N 33 109.700 109.700 108.980 0.720 25758 105 1 . 1 1 33 33 GLY CA C 33 46.700 46.700 46.012 0.688 25758 106 1 . 1 1 34 34 THR N N 34 113.800 113.800 112.547 1.253 25758 107 1 . 1 1 34 34 THR HA H 34 4.320 4.320 4.425 -0.105 25758 108 1 . 1 1 34 34 THR CA C 34 62.600 62.600 61.972 0.627 25758 109 1 . 1 1 34 34 THR CB C 34 68.100 68.100 70.015 -1.916 25758 stop_ save_