data_19739 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19739 _Entry.PDB_ID 2MJW 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 19739 _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 24 24 GLN N N 24 121.380 121.380 120.309 1.071 19739 2 1 1 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.288 0.206 19739 3 1 1 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.662 0.304 19739 4 1 1 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.870 0.265 19739 5 1 1 . 1 1 24 24 GLN H H 24 8.313 8.313 8.451 -0.138 19739 6 1 1 . 1 1 25 25 ASN N N 25 125.370 125.370 121.275 4.095 19739 7 1 1 . 1 1 25 25 ASN HA H 25 5.370 5.370 4.935 0.435 19739 8 1 1 . 1 1 25 25 ASN CA C 25 53.735 53.735 53.109 0.626 19739 9 1 1 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.176 0.179 19739 10 1 1 . 1 1 25 25 ASN H H 25 8.962 8.962 8.615 0.347 19739 11 1 1 . 1 1 26 26 ILE N N 26 126.350 126.350 129.309 -2.959 19739 12 1 1 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.455 0.101 19739 13 1 1 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.340 -1.887 19739 14 1 1 . 1 1 26 26 ILE CB C 26 39.937 39.937 40.309 -0.372 19739 15 1 1 . 1 1 26 26 ILE H H 26 9.208 9.208 8.714 0.494 19739 16 1 1 . 1 1 27 27 THR N N 27 122.550 122.550 120.881 1.669 19739 17 1 1 . 1 1 27 27 THR HA H 27 5.144 5.144 4.794 0.350 19739 18 1 1 . 1 1 27 27 THR CA C 27 60.949 60.949 61.147 -0.198 19739 19 1 1 . 1 1 27 27 THR CB C 27 69.931 69.931 69.158 0.773 19739 20 1 1 . 1 1 27 27 THR H H 27 8.652 8.652 8.475 0.177 19739 21 1 1 . 1 1 28 28 ALA N N 28 129.260 129.260 128.982 0.278 19739 22 1 1 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.751 -0.081 19739 23 1 1 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.417 -0.183 19739 24 1 1 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.170 1.071 19739 25 1 1 . 1 1 28 28 ALA H H 28 8.965 8.965 9.088 -0.123 19739 26 1 1 . 1 1 29 29 ARG N N 29 120.870 120.870 119.391 1.479 19739 27 1 1 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.887 -0.538 19739 28 1 1 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.519 0.519 19739 29 1 1 . 1 1 29 29 ARG CB C 29 31.464 31.464 33.306 -1.843 19739 30 1 1 . 1 1 29 29 ARG H H 29 8.248 8.248 8.728 -0.480 19739 31 1 1 . 1 1 30 30 ILE N N 30 122.830 122.830 121.050 1.780 19739 32 1 1 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.469 -0.953 19739 33 1 1 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.746 1.093 19739 34 1 1 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.324 0.975 19739 35 1 1 . 1 1 30 30 ILE H H 30 8.173 8.173 8.621 -0.448 19739 36 1 1 . 1 1 31 31 GLY N N 31 114.180 114.180 115.047 -0.867 19739 37 1 1 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.916 -0.123 19739 38 1 1 . 1 1 31 31 GLY H H 31 9.525 9.525 9.210 0.315 19739 39 1 1 . 1 1 32 32 GLU N N 32 120.550 120.550 121.024 -0.474 19739 40 1 1 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.827 -0.048 19739 41 1 1 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.346 2.877 19739 42 1 1 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.495 -1.544 19739 43 1 1 . 1 1 32 32 GLU H H 32 7.634 7.634 7.736 -0.102 19739 44 1 1 . 1 1 33 33 PRO HA H 33 4.563 4.563 4.892 -0.329 19739 45 1 1 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.671 -0.730 19739 46 1 1 . 1 1 33 33 PRO CB C 33 32.900 32.900 31.884 1.016 19739 47 1 1 . 1 1 34 34 LEU N N 34 121.680 121.680 127.729 -6.049 19739 48 1 1 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.731 -0.203 19739 49 1 1 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.045 0.131 19739 50 1 1 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.409 0.908 19739 51 1 1 . 1 1 34 34 LEU H H 34 8.519 8.519 8.402 0.117 19739 52 1 1 . 1 1 35 35 VAL N N 35 124.430 124.430 122.370 2.060 19739 53 1 1 . 1 1 35 35 VAL HA H 35 5.000 5.000 5.114 -0.114 19739 54 1 1 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.118 -0.711 19739 55 1 1 . 1 1 35 35 VAL CB C 35 33.515 33.515 33.393 0.122 19739 56 1 1 . 1 1 35 35 VAL H H 35 8.066 8.066 8.247 -0.181 19739 57 1 1 . 1 1 36 36 LEU N N 36 126.670 126.670 129.293 -2.623 19739 58 1 1 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.767 -0.377 19739 59 1 1 . 1 1 36 36 LEU CA C 36 52.162 52.162 54.002 -1.840 19739 60 1 1 . 1 1 36 36 LEU H H 36 8.883 8.883 9.240 -0.357 19739 61 1 1 . 1 1 37 37 LYS N N 37 121.220 121.220 122.502 -1.282 19739 62 1 1 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.566 -0.030 19739 63 1 1 . 1 1 37 37 LYS CA C 37 56.666 56.666 56.285 0.381 19739 64 1 1 . 1 1 37 37 LYS CB C 37 33.609 33.609 32.693 0.916 19739 65 1 1 . 1 1 37 37 LYS H H 37 8.399 8.399 8.447 -0.048 19739 66 1 1 . 1 1 38 38 CYS N N 38 126.370 126.370 126.048 0.322 19739 67 1 1 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.773 -0.080 19739 68 1 1 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.057 -1.624 19739 69 1 1 . 1 1 38 38 CYS CB C 38 44.031 44.031 26.735 17.297 19739 70 1 1 . 1 1 38 38 CYS H H 38 8.878 8.878 8.602 0.276 19739 71 1 1 . 1 1 39 39 LYS N N 39 126.170 126.170 126.713 -0.543 19739 72 1 1 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.346 -0.452 19739 73 1 1 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.403 2.214 19739 74 1 1 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.078 -1.111 19739 75 1 1 . 1 1 39 39 LYS H H 39 7.686 7.686 8.474 -0.788 19739 76 1 1 . 1 1 40 40 GLY N N 40 108.770 108.770 105.941 2.829 19739 77 1 1 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.057 0.035 19739 78 1 1 . 1 1 40 40 GLY H H 40 8.228 8.228 8.543 -0.315 19739 79 1 1 . 1 1 41 41 ALA N N 41 122.190 122.190 125.421 -3.231 19739 80 1 1 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.588 -0.246 19739 81 1 1 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.846 -0.880 19739 82 1 1 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.406 -0.507 19739 83 1 1 . 1 1 41 41 ALA H H 41 7.403 7.403 8.139 -0.736 19739 84 1 1 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.561 -0.037 19739 85 1 1 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.850 1.089 19739 86 1 1 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.518 0.221 19739 87 1 1 . 1 1 43 43 LYS N N 43 118.900 118.900 120.630 -1.730 19739 88 1 1 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.245 -0.137 19739 89 1 1 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.541 1.328 19739 90 1 1 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.560 2.663 19739 91 1 1 . 1 1 43 43 LYS H H 43 8.447 8.447 8.493 -0.046 19739 92 1 1 . 1 1 44 44 LYS N N 44 115.950 115.950 120.116 -4.166 19739 93 1 1 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.659 -0.038 19739 94 1 1 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.493 -0.507 19739 95 1 1 . 1 1 44 44 LYS H H 44 7.377 7.377 7.733 -0.356 19739 96 1 1 . 1 1 46 46 PRO CB C 46 34.657 34.657 31.587 3.070 19739 97 1 1 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.419 -0.061 19739 98 1 1 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.347 0.660 19739 99 1 1 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.513 2.187 19739 100 1 1 . 1 1 48 48 ARG N N 48 125.070 125.070 119.785 5.285 19739 101 1 1 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.260 -0.146 19739 102 1 1 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.425 -10.835 19739 103 1 1 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.901 -1.401 19739 104 1 1 . 1 1 48 48 ARG H H 48 9.071 9.071 8.592 0.479 19739 105 1 1 . 1 1 49 49 LEU N N 49 121.150 121.150 125.225 -4.075 19739 106 1 1 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.747 0.518 19739 107 1 1 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.067 0.242 19739 108 1 1 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.672 0.176 19739 109 1 1 . 1 1 49 49 LEU H H 49 7.798 7.798 8.635 -0.837 19739 110 1 1 . 1 1 50 50 GLU N N 50 120.200 120.200 127.707 -7.507 19739 111 1 1 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.466 0.269 19739 112 1 1 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.408 0.539 19739 113 1 1 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.755 5.482 19739 114 1 1 . 1 1 50 50 GLU H H 50 8.380 8.380 8.856 -0.476 19739 115 1 1 . 1 1 51 51 TRP N N 51 125.560 125.560 126.571 -1.011 19739 116 1 1 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.368 1.134 19739 117 1 1 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.998 -3.278 19739 118 1 1 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.266 2.254 19739 119 1 1 . 1 1 51 51 TRP H H 51 9.161 9.161 7.937 1.224 19739 120 1 1 . 1 1 52 52 LYS N N 52 120.150 120.150 123.637 -3.487 19739 121 1 1 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.851 0.721 19739 122 1 1 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.895 0.061 19739 123 1 1 . 1 1 52 52 LYS CB C 52 36.900 36.900 36.946 -0.046 19739 124 1 1 . 1 1 52 52 LYS H H 52 9.775 9.775 7.573 2.202 19739 125 1 1 . 1 1 53 53 LEU N N 53 122.450 122.450 113.822 8.628 19739 126 1 1 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.496 0.870 19739 127 1 1 . 1 1 53 53 LEU CA C 53 54.321 54.321 54.071 0.250 19739 128 1 1 . 1 1 53 53 LEU H H 53 9.238 9.238 7.718 1.520 19739 129 1 1 . 1 1 54 54 ASN N N 54 123.200 123.200 119.421 3.779 19739 130 1 1 . 1 1 54 54 ASN HA H 54 4.777 4.777 5.016 -0.239 19739 131 1 1 . 1 1 54 54 ASN CA C 54 53.941 53.941 53.161 0.780 19739 132 1 1 . 1 1 54 54 ASN H H 54 8.913 8.913 8.758 0.155 19739 133 1 1 . 1 1 55 55 THR N N 55 112.570 112.570 115.689 -3.119 19739 134 1 1 . 1 1 55 55 THR HA H 55 5.063 5.063 4.671 0.392 19739 135 1 1 . 1 1 55 55 THR CA C 55 68.927 68.927 60.233 8.694 19739 136 1 1 . 1 1 55 55 THR H H 55 8.074 8.074 7.874 0.200 19739 137 1 1 . 1 1 56 56 GLY N N 56 108.640 108.640 109.824 -1.184 19739 138 1 1 . 1 1 56 56 GLY CA C 56 47.301 47.301 46.244 1.057 19739 139 1 1 . 1 1 56 56 GLY H H 56 7.982 7.982 8.591 -0.609 19739 140 1 1 . 1 1 57 57 ARG N N 57 116.810 116.810 120.560 -3.750 19739 141 1 1 . 1 1 57 57 ARG H H 57 7.955 7.955 8.461 -0.506 19739 142 1 1 . 1 1 58 58 THR N N 58 108.470 108.470 114.298 -5.828 19739 143 1 1 . 1 1 58 58 THR HA H 58 4.495 4.495 4.269 0.226 19739 144 1 1 . 1 1 58 58 THR CA C 58 61.154 61.154 63.236 -2.082 19739 145 1 1 . 1 1 58 58 THR CB C 58 70.200 70.200 68.324 1.876 19739 146 1 1 . 1 1 58 58 THR H H 58 7.284 7.284 8.011 -0.728 19739 147 1 1 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.581 -0.475 19739 148 1 1 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.377 -0.076 19739 149 1 1 . 1 1 60 60 ALA N N 60 120.840 120.840 123.675 -2.835 19739 150 1 1 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.795 -0.726 19739 151 1 1 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.567 0.124 19739 152 1 1 . 1 1 60 60 ALA CB C 60 19.620 19.620 18.595 1.025 19739 153 1 1 . 1 1 60 60 ALA H H 60 7.887 7.887 8.426 -0.539 19739 154 1 1 . 1 1 61 61 TRP N N 61 118.780 118.780 121.077 -2.297 19739 155 1 1 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.881 -0.780 19739 156 1 1 . 1 1 61 61 TRP CA C 61 58.270 58.270 56.728 1.542 19739 157 1 1 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.000 -1.541 19739 158 1 1 . 1 1 61 61 TRP H H 61 7.621 7.621 7.450 0.171 19739 159 1 1 . 1 1 62 62 LYS N N 62 124.070 124.070 124.997 -0.927 19739 160 1 1 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.891 0.914 19739 161 1 1 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.071 -0.969 19739 162 1 1 . 1 1 62 62 LYS CB C 62 33.024 33.024 34.859 -1.835 19739 163 1 1 . 1 1 62 62 LYS H H 62 9.201 9.201 8.143 1.058 19739 164 1 1 . 1 1 63 63 VAL N N 63 120.380 120.380 123.460 -3.080 19739 165 1 1 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.867 1.164 19739 166 1 1 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.839 -1.502 19739 167 1 1 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.847 1.863 19739 168 1 1 . 1 1 63 63 VAL H H 63 9.268 9.268 7.904 1.364 19739 169 1 1 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.579 0.071 19739 170 1 1 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.200 0.776 19739 171 1 1 . 1 1 64 64 LEU CB C 64 43.868 43.868 44.109 -0.241 19739 172 1 1 . 1 1 65 65 SER N N 65 117.960 117.960 117.108 0.852 19739 173 1 1 . 1 1 65 65 SER HA H 65 5.092 5.092 5.003 0.089 19739 174 1 1 . 1 1 65 65 SER CA C 65 55.790 55.790 54.195 1.595 19739 175 1 1 . 1 1 65 65 SER CB C 65 64.408 64.408 64.836 -0.428 19739 176 1 1 . 1 1 65 65 SER H H 65 8.654 8.654 8.392 0.262 19739 177 1 1 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.533 -0.184 19739 178 1 1 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.204 0.348 19739 179 1 1 . 1 1 67 67 GLN N N 67 116.960 116.960 116.421 0.539 19739 180 1 1 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.528 -0.194 19739 181 1 1 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.290 1.314 19739 182 1 1 . 1 1 67 67 GLN CB C 67 28.733 28.733 30.413 -1.680 19739 183 1 1 . 1 1 67 67 GLN H H 67 8.212 8.212 7.808 0.404 19739 184 1 1 . 1 1 68 68 GLY N N 68 108.700 108.700 106.814 1.886 19739 185 1 1 . 1 1 68 68 GLY CA C 68 45.764 45.764 45.058 0.706 19739 186 1 1 . 1 1 68 68 GLY H H 68 8.069 8.069 7.473 0.596 19739 187 1 1 . 1 1 69 69 GLY N N 69 109.370 109.370 105.945 3.425 19739 188 1 1 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.223 0.830 19739 189 1 1 . 1 1 69 69 GLY H H 69 8.354 8.354 8.258 0.096 19739 190 1 1 . 1 1 70 70 GLY N N 70 109.700 109.700 106.887 2.813 19739 191 1 1 . 1 1 70 70 GLY CA C 70 45.078 45.078 45.077 0.001 19739 192 1 1 . 1 1 70 70 GLY H H 70 8.428 8.428 7.977 0.451 19739 193 1 1 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.386 -0.026 19739 194 1 1 . 1 1 71 71 PRO CA C 71 64.324 64.324 63.162 1.162 19739 195 1 1 . 1 1 71 71 PRO CB C 71 32.100 32.100 30.259 1.841 19739 196 1 1 . 1 1 72 72 TRP N N 72 118.420 118.420 125.415 -6.995 19739 197 1 1 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.551 -0.153 19739 198 1 1 . 1 1 72 72 TRP CA C 72 59.360 59.360 58.730 0.630 19739 199 1 1 . 1 1 72 72 TRP CB C 72 28.669 28.669 30.320 -1.651 19739 200 1 1 . 1 1 72 72 TRP H H 72 8.204 8.204 8.465 -0.261 19739 201 1 1 . 1 1 73 73 ASP N N 73 119.400 119.400 122.476 -3.076 19739 202 1 1 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.579 -0.154 19739 203 1 1 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.685 0.361 19739 204 1 1 . 1 1 73 73 ASP CB C 73 40.621 40.621 41.224 -0.603 19739 205 1 1 . 1 1 73 73 ASP H H 73 7.686 7.686 8.143 -0.457 19739 206 1 1 . 1 1 74 74 SER N N 74 110.610 110.610 114.697 -4.087 19739 207 1 1 . 1 1 74 74 SER HA H 74 4.250 4.250 4.298 -0.048 19739 208 1 1 . 1 1 74 74 SER CA C 74 59.125 59.125 60.518 -1.393 19739 209 1 1 . 1 1 74 74 SER H H 74 7.563 7.563 8.189 -0.626 19739 210 1 1 . 1 1 75 75 VAL N N 75 119.230 119.230 120.597 -1.367 19739 211 1 1 . 1 1 75 75 VAL HA H 75 3.799 3.799 4.031 -0.232 19739 212 1 1 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.806 0.851 19739 213 1 1 . 1 1 75 75 VAL H H 75 7.740 7.740 7.326 0.414 19739 214 1 1 . 1 1 76 76 ALA N N 76 120.240 120.240 120.795 -0.555 19739 215 1 1 . 1 1 76 76 ALA CA C 76 51.869 51.869 49.853 2.015 19739 216 1 1 . 1 1 76 76 ALA H H 76 7.994 7.994 7.834 0.160 19739 217 1 1 . 1 1 77 77 ARG N N 77 119.730 119.730 123.979 -4.249 19739 218 1 1 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.638 0.274 19739 219 1 1 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.720 -2.039 19739 220 1 1 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.354 -11.649 19739 221 1 1 . 1 1 77 77 ARG H H 77 8.796 8.796 8.213 0.583 19739 222 1 1 . 1 1 78 78 VAL N N 78 123.460 123.460 124.069 -0.609 19739 223 1 1 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.869 -0.518 19739 224 1 1 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.678 0.542 19739 225 1 1 . 1 1 78 78 VAL H H 78 8.583 8.583 8.406 0.177 19739 226 1 1 . 1 1 79 79 LEU N N 79 128.990 128.990 130.074 -1.084 19739 227 1 1 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.846 1.966 19739 228 1 1 . 1 1 79 79 LEU H H 79 9.319 9.319 8.966 0.353 19739 229 1 1 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.343 0.054 19739 230 1 1 . 1 1 80 80 PRO CA C 80 63.511 63.511 64.823 -1.312 19739 231 1 1 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.747 -0.046 19739 232 1 1 . 1 1 81 81 ASN N N 81 109.840 109.840 113.676 -3.836 19739 233 1 1 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.640 -0.067 19739 234 1 1 . 1 1 81 81 ASN CA C 81 52.165 52.165 53.044 -0.879 19739 235 1 1 . 1 1 81 81 ASN CB C 81 37.200 37.200 38.399 -1.199 19739 236 1 1 . 1 1 81 81 ASN H H 81 7.297 7.297 8.108 -0.811 19739 237 1 1 . 1 1 82 82 GLY N N 82 108.850 108.850 109.775 -0.925 19739 238 1 1 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.411 0.344 19739 239 1 1 . 1 1 82 82 GLY H H 82 8.579 8.579 8.380 0.199 19739 240 1 1 . 1 1 83 83 SER N N 83 115.150 115.150 115.119 0.031 19739 241 1 1 . 1 1 83 83 SER HA H 83 4.824 4.824 5.235 -0.411 19739 242 1 1 . 1 1 83 83 SER CA C 83 60.327 60.327 57.822 2.506 19739 243 1 1 . 1 1 83 83 SER H H 83 7.775 7.775 7.649 0.126 19739 244 1 1 . 1 1 84 84 LEU N N 84 123.650 123.650 124.577 -0.927 19739 245 1 1 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.161 -0.882 19739 246 1 1 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.806 -0.185 19739 247 1 1 . 1 1 84 84 LEU CB C 84 42.079 42.079 45.551 -3.472 19739 248 1 1 . 1 1 84 84 LEU H H 84 8.781 8.781 9.186 -0.405 19739 249 1 1 . 1 1 85 85 PHE N N 85 126.120 126.120 127.974 -1.854 19739 250 1 1 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.229 0.139 19739 251 1 1 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.517 -1.325 19739 252 1 1 . 1 1 85 85 PHE CB C 85 46.443 46.443 42.417 4.026 19739 253 1 1 . 1 1 85 85 PHE H H 85 8.991 8.991 9.252 -0.261 19739 254 1 1 . 1 1 86 86 LEU N N 86 129.500 129.500 128.567 0.933 19739 255 1 1 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.114 3.050 19739 256 1 1 . 1 1 86 86 LEU H H 86 8.682 8.682 8.606 0.076 19739 257 1 1 . 1 1 87 87 PRO HA H 87 3.409 3.409 4.007 -0.598 19739 258 1 1 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.251 -0.150 19739 259 1 1 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.935 0.109 19739 260 1 1 . 1 1 88 88 ALA N N 88 115.010 115.010 117.841 -2.831 19739 261 1 1 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.356 -0.748 19739 262 1 1 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.473 0.154 19739 263 1 1 . 1 1 88 88 ALA CB C 88 18.900 18.900 19.907 -1.007 19739 264 1 1 . 1 1 88 88 ALA H H 88 7.151 7.151 7.456 -0.305 19739 265 1 1 . 1 1 89 89 VAL N N 89 124.890 124.890 124.847 0.043 19739 266 1 1 . 1 1 89 89 VAL HA H 89 3.793 3.793 3.867 -0.074 19739 267 1 1 . 1 1 89 89 VAL CA C 89 64.159 64.159 63.405 0.754 19739 268 1 1 . 1 1 89 89 VAL CB C 89 31.904 31.904 32.122 -0.218 19739 269 1 1 . 1 1 89 89 VAL H H 89 8.066 8.066 8.108 -0.042 19739 270 1 1 . 1 1 90 90 GLY N N 90 116.780 116.780 116.502 0.278 19739 271 1 1 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.502 -1.009 19739 272 1 1 . 1 1 90 90 GLY H H 90 9.715 9.715 9.363 0.352 19739 273 1 1 . 1 1 91 91 ILE N N 91 118.490 118.490 114.896 3.594 19739 274 1 1 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.339 -0.537 19739 275 1 1 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.808 0.973 19739 276 1 1 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.177 0.223 19739 277 1 1 . 1 1 91 91 ILE H H 91 8.596 8.596 8.086 0.510 19739 278 1 1 . 1 1 92 92 GLN N N 92 116.720 116.720 119.243 -2.523 19739 279 1 1 . 1 1 92 92 GLN CA C 92 57.231 57.231 57.769 -0.538 19739 280 1 1 . 1 1 92 92 GLN H H 92 8.682 8.682 8.346 0.336 19739 281 1 1 . 1 1 93 93 ASP N N 93 115.890 115.890 117.262 -1.372 19739 282 1 1 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.952 -0.321 19739 283 1 1 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.349 1.360 19739 284 1 1 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.529 1.371 19739 285 1 1 . 1 1 93 93 ASP H H 93 7.644 7.644 8.294 -0.650 19739 286 1 1 . 1 1 94 94 GLU N N 94 112.880 112.880 120.670 -7.790 19739 287 1 1 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.164 -0.073 19739 288 1 1 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.560 1.166 19739 289 1 1 . 1 1 94 94 GLU CB C 94 30.544 30.544 29.178 1.365 19739 290 1 1 . 1 1 94 94 GLU H H 94 6.666 6.666 7.467 -0.801 19739 291 1 1 . 1 1 95 95 GLY N N 95 109.750 109.750 109.964 -0.214 19739 292 1 1 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.828 0.231 19739 293 1 1 . 1 1 95 95 GLY H H 95 8.024 8.024 7.602 0.422 19739 294 1 1 . 1 1 96 96 ILE N N 96 119.990 119.990 121.121 -1.131 19739 295 1 1 . 1 1 96 96 ILE HA H 96 5.361 5.361 5.067 0.294 19739 296 1 1 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.174 -0.539 19739 297 1 1 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.732 1.568 19739 298 1 1 . 1 1 96 96 ILE H H 96 7.658 7.658 7.777 -0.119 19739 299 1 1 . 1 1 97 97 PHE N N 97 124.050 124.050 127.276 -3.226 19739 300 1 1 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.682 0.630 19739 301 1 1 . 1 1 97 97 PHE CA C 97 56.466 56.466 55.998 0.468 19739 302 1 1 . 1 1 97 97 PHE CB C 97 43.544 43.544 41.397 2.147 19739 303 1 1 . 1 1 97 97 PHE H H 97 9.194 9.194 8.686 0.508 19739 304 1 1 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.106 0.636 19739 305 1 1 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.358 -0.857 19739 306 1 1 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.537 2.746 19739 307 1 1 . 1 1 99 99 CYS N N 99 121.320 121.320 125.661 -4.341 19739 308 1 1 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.448 0.457 19739 309 1 1 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.840 -5.641 19739 310 1 1 . 1 1 99 99 CYS H H 99 8.625 8.625 8.947 -0.322 19739 311 1 1 . 1 1 100 100 GLN N N 100 127.220 127.220 124.822 2.398 19739 312 1 1 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.907 -0.065 19739 313 1 1 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.283 -0.683 19739 314 1 1 . 1 1 100 100 GLN H H 100 8.390 8.390 7.909 0.481 19739 315 1 1 . 1 1 101 101 ALA N N 101 126.770 126.770 125.070 1.700 19739 316 1 1 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.557 -0.282 19739 317 1 1 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.807 -0.255 19739 318 1 1 . 1 1 101 101 ALA CB C 101 22.877 22.877 22.152 0.725 19739 319 1 1 . 1 1 101 101 ALA H H 101 8.623 8.623 8.450 0.173 19739 320 1 1 . 1 1 102 102 MET N N 102 119.560 119.560 120.663 -1.103 19739 321 1 1 . 1 1 102 102 MET HA H 102 4.959 4.959 5.218 -0.259 19739 322 1 1 . 1 1 102 102 MET CA C 102 54.225 54.225 53.720 0.505 19739 323 1 1 . 1 1 102 102 MET H H 102 8.085 8.085 8.402 -0.317 19739 324 1 1 . 1 1 103 103 ASN N N 103 122.280 122.280 123.293 -1.013 19739 325 1 1 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.871 -0.015 19739 326 1 1 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.040 -0.455 19739 327 1 1 . 1 1 103 103 ASN CB C 103 39.479 39.479 41.219 -1.740 19739 328 1 1 . 1 1 103 103 ASN H H 103 8.370 8.370 8.236 0.134 19739 329 1 1 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.311 -0.201 19739 330 1 1 . 1 1 104 104 ARG CA C 104 58.633 58.633 57.324 1.309 19739 331 1 1 . 1 1 104 104 ARG CB C 104 29.675 29.675 28.878 0.797 19739 332 1 1 . 1 1 105 105 ASN N N 105 115.430 115.430 116.792 -1.362 19739 333 1 1 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.796 -0.009 19739 334 1 1 . 1 1 105 105 ASN CA C 105 52.846 52.846 52.900 -0.054 19739 335 1 1 . 1 1 105 105 ASN CB C 105 38.800 38.800 39.890 -1.090 19739 336 1 1 . 1 1 105 105 ASN H H 105 7.922 7.922 8.058 -0.136 19739 337 1 1 . 1 1 106 106 GLY N N 106 107.550 107.550 109.564 -2.014 19739 338 1 1 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.511 0.409 19739 339 1 1 . 1 1 106 106 GLY H H 106 8.036 8.036 7.986 0.050 19739 340 1 1 . 1 1 107 107 LYS N N 107 119.970 119.970 121.718 -1.748 19739 341 1 1 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.553 -0.544 19739 342 1 1 . 1 1 107 107 LYS H H 107 7.716 7.716 7.753 -0.037 19739 343 1 1 . 1 1 108 108 GLU N N 108 125.660 125.660 124.080 1.580 19739 344 1 1 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.181 -0.191 19739 345 1 1 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.843 0.681 19739 346 1 1 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.191 -0.111 19739 347 1 1 . 1 1 108 108 GLU H H 108 8.706 8.706 8.561 0.145 19739 348 1 1 . 1 1 109 109 THR N N 109 121.300 121.300 113.268 8.032 19739 349 1 1 . 1 1 109 109 THR HA H 109 4.485 4.485 4.439 0.046 19739 350 1 1 . 1 1 109 109 THR CA C 109 62.448 62.448 61.386 1.062 19739 351 1 1 . 1 1 109 109 THR CB C 109 70.670 70.670 70.233 0.437 19739 352 1 1 . 1 1 109 109 THR H H 109 9.059 9.059 8.301 0.758 19739 353 1 1 . 1 1 110 110 LYS N N 110 127.017 127.017 127.553 -0.536 19739 354 1 1 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.371 0.092 19739 355 1 1 . 1 1 110 110 LYS H H 110 8.776 8.776 8.565 0.211 19739 356 1 1 . 1 1 111 111 SER HA H 111 4.628 4.628 4.436 0.192 19739 357 1 1 . 1 1 111 111 SER CA C 111 65.621 65.621 58.200 7.421 19739 358 1 1 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.724 -1.192 19739 359 1 1 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.537 3.831 19739 360 1 1 . 1 1 113 113 TYR N N 113 121.350 121.350 120.942 0.408 19739 361 1 1 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.705 0.891 19739 362 1 1 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.248 -0.527 19739 363 1 1 . 1 1 113 113 TYR H H 113 9.582 9.582 8.607 0.975 19739 364 1 1 . 1 1 114 114 ARG HA H 114 5.263 5.263 5.147 0.116 19739 365 1 1 . 1 1 114 114 ARG CA C 114 53.811 53.811 53.929 -0.118 19739 366 1 1 . 1 1 115 115 VAL N N 115 128.860 128.860 126.081 2.779 19739 367 1 1 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.058 1.054 19739 368 1 1 . 1 1 115 115 VAL CB C 115 33.829 33.829 32.171 1.658 19739 369 1 1 . 1 1 115 115 VAL H H 115 9.299 9.299 8.216 1.083 19739 370 1 1 . 1 1 116 116 ARG N N 116 128.100 128.100 128.230 -0.130 19739 371 1 1 . 1 1 116 116 ARG HA H 116 4.945 4.945 4.693 0.252 19739 372 1 1 . 1 1 116 116 ARG CA C 116 54.221 54.221 54.160 0.061 19739 373 1 1 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.131 0.886 19739 374 1 1 . 1 1 116 116 ARG H H 116 8.728 8.728 9.149 -0.421 19739 375 1 1 . 1 1 117 117 VAL N N 117 120.340 120.340 122.188 -1.848 19739 376 1 1 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.833 0.186 19739 377 1 1 . 1 1 117 117 VAL CA C 117 60.524 60.524 60.405 0.119 19739 378 1 1 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.154 -0.509 19739 379 1 1 . 1 1 117 117 VAL H H 117 9.226 9.226 8.481 0.745 19739 380 1 1 . 1 1 118 118 TYR N N 118 122.880 122.880 120.503 2.377 19739 381 1 1 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.337 0.413 19739 382 1 1 . 1 1 118 118 TYR CA C 118 56.857 56.857 61.284 -4.427 19739 383 1 1 . 1 1 118 118 TYR CB C 118 41.091 41.091 39.082 2.009 19739 384 1 1 . 1 1 118 118 TYR H H 118 8.668 8.668 8.010 0.658 19739 385 1 1 . 1 1 119 119 GLN N N 119 121.740 121.740 118.872 2.868 19739 386 1 1 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.489 -0.141 19739 387 1 1 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.137 -0.180 19739 388 1 1 . 1 1 119 119 GLN CB C 119 30.303 30.303 27.750 2.553 19739 389 1 1 . 1 1 119 119 GLN H H 119 8.351 8.351 8.196 0.155 19739 390 1 1 . 1 1 120 120 ILE N N 120 123.720 123.720 119.035 4.685 19739 391 1 1 . 1 1 120 120 ILE H H 120 8.034 8.034 7.770 0.264 19739 392 1 2 . 1 1 24 24 GLN N N 24 121.380 121.380 122.282 -0.902 19739 393 1 2 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.439 0.055 19739 394 1 2 . 1 1 24 24 GLN CA C 24 54.966 54.966 53.974 0.992 19739 395 1 2 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.402 0.733 19739 396 1 2 . 1 1 24 24 GLN H H 24 8.313 8.313 8.269 0.044 19739 397 1 2 . 1 1 25 25 ASN N N 25 125.370 125.370 122.308 3.062 19739 398 1 2 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.324 0.046 19739 399 1 2 . 1 1 25 25 ASN CA C 25 53.735 53.735 53.109 0.626 19739 400 1 2 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.396 -0.041 19739 401 1 2 . 1 1 25 25 ASN H H 25 8.962 8.962 8.713 0.249 19739 402 1 2 . 1 1 26 26 ILE N N 26 126.350 126.350 125.986 0.364 19739 403 1 2 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.429 0.127 19739 404 1 2 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.461 -2.008 19739 405 1 2 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.263 -1.326 19739 406 1 2 . 1 1 26 26 ILE H H 26 9.208 9.208 9.010 0.198 19739 407 1 2 . 1 1 27 27 THR N N 27 122.550 122.550 123.301 -0.751 19739 408 1 2 . 1 1 27 27 THR HA H 27 5.144 5.144 4.944 0.200 19739 409 1 2 . 1 1 27 27 THR CA C 27 60.949 60.949 62.140 -1.191 19739 410 1 2 . 1 1 27 27 THR CB C 27 69.931 69.931 69.131 0.800 19739 411 1 2 . 1 1 27 27 THR H H 27 8.652 8.652 8.514 0.138 19739 412 1 2 . 1 1 28 28 ALA N N 28 129.260 129.260 129.066 0.194 19739 413 1 2 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.816 -0.146 19739 414 1 2 . 1 1 28 28 ALA CA C 28 50.234 50.234 49.745 0.489 19739 415 1 2 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.401 0.840 19739 416 1 2 . 1 1 28 28 ALA H H 28 8.965 8.965 9.003 -0.038 19739 417 1 2 . 1 1 29 29 ARG N N 29 120.870 120.870 119.115 1.755 19739 418 1 2 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.859 -0.510 19739 419 1 2 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.137 0.901 19739 420 1 2 . 1 1 29 29 ARG CB C 29 31.464 31.464 33.372 -1.908 19739 421 1 2 . 1 1 29 29 ARG H H 29 8.248 8.248 8.500 -0.252 19739 422 1 2 . 1 1 30 30 ILE N N 30 122.830 122.830 121.469 1.361 19739 423 1 2 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.412 -0.896 19739 424 1 2 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.811 1.028 19739 425 1 2 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.337 0.962 19739 426 1 2 . 1 1 30 30 ILE H H 30 8.173 8.173 8.647 -0.474 19739 427 1 2 . 1 1 31 31 GLY N N 31 114.180 114.180 114.659 -0.479 19739 428 1 2 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.912 -0.119 19739 429 1 2 . 1 1 31 31 GLY H H 31 9.525 9.525 9.170 0.355 19739 430 1 2 . 1 1 32 32 GLU N N 32 120.550 120.550 122.230 -1.680 19739 431 1 2 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.717 0.062 19739 432 1 2 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.748 2.475 19739 433 1 2 . 1 1 32 32 GLU CB C 32 29.952 29.952 30.977 -1.026 19739 434 1 2 . 1 1 32 32 GLU H H 32 7.634 7.634 7.619 0.015 19739 435 1 2 . 1 1 33 33 PRO HA H 33 4.563 4.563 4.999 -0.436 19739 436 1 2 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.582 -0.641 19739 437 1 2 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.263 0.637 19739 438 1 2 . 1 1 34 34 LEU N N 34 121.680 121.680 126.437 -4.757 19739 439 1 2 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.689 -0.161 19739 440 1 2 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.331 -0.155 19739 441 1 2 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.467 0.851 19739 442 1 2 . 1 1 34 34 LEU H H 34 8.519 8.519 8.280 0.239 19739 443 1 2 . 1 1 35 35 VAL N N 35 124.430 124.430 122.760 1.670 19739 444 1 2 . 1 1 35 35 VAL HA H 35 5.000 5.000 5.025 -0.025 19739 445 1 2 . 1 1 35 35 VAL CA C 35 60.407 60.407 60.945 -0.538 19739 446 1 2 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.319 1.196 19739 447 1 2 . 1 1 35 35 VAL H H 35 8.066 8.066 8.279 -0.213 19739 448 1 2 . 1 1 36 36 LEU N N 36 126.670 126.670 129.357 -2.687 19739 449 1 2 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.772 -0.382 19739 450 1 2 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.670 -1.508 19739 451 1 2 . 1 1 36 36 LEU H H 36 8.883 8.883 8.965 -0.082 19739 452 1 2 . 1 1 37 37 LYS N N 37 121.220 121.220 120.413 0.807 19739 453 1 2 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.893 -0.357 19739 454 1 2 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.984 0.682 19739 455 1 2 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.926 -0.317 19739 456 1 2 . 1 1 37 37 LYS H H 37 8.399 8.399 8.393 0.006 19739 457 1 2 . 1 1 38 38 CYS N N 38 126.370 126.370 125.313 1.057 19739 458 1 2 . 1 1 38 38 CYS HA H 38 4.693 4.693 5.039 -0.346 19739 459 1 2 . 1 1 38 38 CYS CA C 38 56.433 56.433 57.879 -1.446 19739 460 1 2 . 1 1 38 38 CYS CB C 38 44.031 44.031 27.589 16.442 19739 461 1 2 . 1 1 38 38 CYS H H 38 8.878 8.878 8.720 0.158 19739 462 1 2 . 1 1 39 39 LYS N N 39 126.170 126.170 127.754 -1.584 19739 463 1 2 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.394 -0.500 19739 464 1 2 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.361 2.256 19739 465 1 2 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.401 -1.434 19739 466 1 2 . 1 1 39 39 LYS H H 39 7.686 7.686 8.613 -0.927 19739 467 1 2 . 1 1 40 40 GLY N N 40 108.770 108.770 106.140 2.630 19739 468 1 2 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.078 0.014 19739 469 1 2 . 1 1 40 40 GLY H H 40 8.228 8.228 8.547 -0.319 19739 470 1 2 . 1 1 41 41 ALA N N 41 122.190 122.190 125.417 -3.227 19739 471 1 2 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.575 -0.233 19739 472 1 2 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.875 -0.908 19739 473 1 2 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.472 -0.573 19739 474 1 2 . 1 1 41 41 ALA H H 41 7.403 7.403 8.155 -0.752 19739 475 1 2 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.578 -0.054 19739 476 1 2 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.860 1.079 19739 477 1 2 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.706 0.033 19739 478 1 2 . 1 1 43 43 LYS N N 43 118.900 118.900 120.408 -1.508 19739 479 1 2 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.247 -0.139 19739 480 1 2 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.692 1.177 19739 481 1 2 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.914 2.309 19739 482 1 2 . 1 1 43 43 LYS H H 43 8.447 8.447 8.432 0.015 19739 483 1 2 . 1 1 44 44 LYS N N 44 115.950 115.950 121.963 -6.013 19739 484 1 2 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.626 -0.005 19739 485 1 2 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.866 -0.880 19739 486 1 2 . 1 1 44 44 LYS H H 44 7.377 7.377 7.719 -0.342 19739 487 1 2 . 1 1 46 46 PRO CB C 46 34.657 34.657 32.111 2.546 19739 488 1 2 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.737 -0.379 19739 489 1 2 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.062 0.945 19739 490 1 2 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.779 1.921 19739 491 1 2 . 1 1 48 48 ARG N N 48 125.070 125.070 119.694 5.376 19739 492 1 2 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.446 -0.332 19739 493 1 2 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.002 -10.412 19739 494 1 2 . 1 1 48 48 ARG CB C 48 29.500 29.500 31.255 -1.755 19739 495 1 2 . 1 1 48 48 ARG H H 48 9.071 9.071 8.668 0.403 19739 496 1 2 . 1 1 49 49 LEU N N 49 121.150 121.150 124.688 -3.538 19739 497 1 2 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.682 0.583 19739 498 1 2 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.324 -0.015 19739 499 1 2 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.906 -0.058 19739 500 1 2 . 1 1 49 49 LEU H H 49 7.798 7.798 8.819 -1.021 19739 501 1 2 . 1 1 50 50 GLU N N 50 120.200 120.200 127.398 -7.198 19739 502 1 2 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.518 0.217 19739 503 1 2 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.404 0.543 19739 504 1 2 . 1 1 50 50 GLU CB C 50 34.237 34.237 29.297 4.940 19739 505 1 2 . 1 1 50 50 GLU H H 50 8.380 8.380 8.334 0.046 19739 506 1 2 . 1 1 51 51 TRP N N 51 125.560 125.560 126.901 -1.341 19739 507 1 2 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.395 1.107 19739 508 1 2 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.487 -2.767 19739 509 1 2 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.273 2.247 19739 510 1 2 . 1 1 51 51 TRP H H 51 9.161 9.161 7.861 1.300 19739 511 1 2 . 1 1 52 52 LYS N N 52 120.150 120.150 124.921 -4.771 19739 512 1 2 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.555 1.017 19739 513 1 2 . 1 1 52 52 LYS CA C 52 54.956 54.956 55.228 -0.272 19739 514 1 2 . 1 1 52 52 LYS CB C 52 36.900 36.900 36.538 0.361 19739 515 1 2 . 1 1 52 52 LYS H H 52 9.775 9.775 7.580 2.195 19739 516 1 2 . 1 1 53 53 LEU N N 53 122.450 122.450 116.240 6.210 19739 517 1 2 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.747 0.619 19739 518 1 2 . 1 1 53 53 LEU CA C 53 54.321 54.321 52.908 1.413 19739 519 1 2 . 1 1 53 53 LEU H H 53 9.238 9.238 7.687 1.551 19739 520 1 2 . 1 1 54 54 ASN N N 54 123.200 123.200 119.158 4.042 19739 521 1 2 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.907 -0.130 19739 522 1 2 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.864 1.077 19739 523 1 2 . 1 1 54 54 ASN H H 54 8.913 8.913 8.734 0.179 19739 524 1 2 . 1 1 55 55 THR N N 55 112.570 112.570 117.644 -5.074 19739 525 1 2 . 1 1 55 55 THR HA H 55 5.063 5.063 4.655 0.408 19739 526 1 2 . 1 1 55 55 THR CA C 55 68.927 68.927 60.600 8.327 19739 527 1 2 . 1 1 55 55 THR H H 55 8.074 8.074 8.001 0.073 19739 528 1 2 . 1 1 56 56 GLY N N 56 108.640 108.640 109.167 -0.527 19739 529 1 2 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.881 1.420 19739 530 1 2 . 1 1 56 56 GLY H H 56 7.982 7.982 8.762 -0.780 19739 531 1 2 . 1 1 57 57 ARG N N 57 116.810 116.810 120.574 -3.764 19739 532 1 2 . 1 1 57 57 ARG H H 57 7.955 7.955 8.393 -0.438 19739 533 1 2 . 1 1 58 58 THR N N 58 108.470 108.470 111.431 -2.961 19739 534 1 2 . 1 1 58 58 THR HA H 58 4.495 4.495 4.148 0.347 19739 535 1 2 . 1 1 58 58 THR CA C 58 61.154 61.154 63.143 -1.989 19739 536 1 2 . 1 1 58 58 THR CB C 58 70.200 70.200 67.250 2.950 19739 537 1 2 . 1 1 58 58 THR H H 58 7.284 7.284 8.276 -0.992 19739 538 1 2 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.356 -0.250 19739 539 1 2 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.945 -0.645 19739 540 1 2 . 1 1 60 60 ALA N N 60 120.840 120.840 122.409 -1.569 19739 541 1 2 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.633 -0.564 19739 542 1 2 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.340 0.351 19739 543 1 2 . 1 1 60 60 ALA CB C 60 19.620 19.620 18.882 0.738 19739 544 1 2 . 1 1 60 60 ALA H H 60 7.887 7.887 8.350 -0.463 19739 545 1 2 . 1 1 61 61 TRP N N 61 118.780 118.780 121.252 -2.472 19739 546 1 2 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.841 -0.740 19739 547 1 2 . 1 1 61 61 TRP CA C 61 58.270 58.270 57.491 0.779 19739 548 1 2 . 1 1 61 61 TRP CB C 61 29.459 29.459 30.616 -1.157 19739 549 1 2 . 1 1 61 61 TRP H H 61 7.621 7.621 7.562 0.059 19739 550 1 2 . 1 1 62 62 LYS N N 62 124.070 124.070 124.528 -0.458 19739 551 1 2 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.802 1.003 19739 552 1 2 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.048 -0.946 19739 553 1 2 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.126 -2.102 19739 554 1 2 . 1 1 62 62 LYS H H 62 9.201 9.201 7.993 1.208 19739 555 1 2 . 1 1 63 63 VAL N N 63 120.380 120.380 124.495 -4.115 19739 556 1 2 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.837 1.194 19739 557 1 2 . 1 1 63 63 VAL CA C 63 60.337 60.337 62.063 -1.726 19739 558 1 2 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.723 1.987 19739 559 1 2 . 1 1 63 63 VAL H H 63 9.268 9.268 7.899 1.369 19739 560 1 2 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.281 0.369 19739 561 1 2 . 1 1 64 64 LEU CA C 64 53.976 53.976 54.316 -0.340 19739 562 1 2 . 1 1 64 64 LEU CB C 64 43.868 43.868 42.962 0.906 19739 563 1 2 . 1 1 65 65 SER N N 65 117.960 117.960 113.434 4.526 19739 564 1 2 . 1 1 65 65 SER HA H 65 5.092 5.092 4.808 0.284 19739 565 1 2 . 1 1 65 65 SER CA C 65 55.790 55.790 55.423 0.367 19739 566 1 2 . 1 1 65 65 SER CB C 65 64.408 64.408 64.818 -0.410 19739 567 1 2 . 1 1 65 65 SER H H 65 8.654 8.654 8.385 0.269 19739 568 1 2 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.568 -0.219 19739 569 1 2 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.316 0.235 19739 570 1 2 . 1 1 67 67 GLN N N 67 116.960 116.960 116.762 0.198 19739 571 1 2 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.532 -0.198 19739 572 1 2 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.223 1.381 19739 573 1 2 . 1 1 67 67 GLN CB C 67 28.733 28.733 30.206 -1.473 19739 574 1 2 . 1 1 67 67 GLN H H 67 8.212 8.212 8.089 0.123 19739 575 1 2 . 1 1 68 68 GLY N N 68 108.700 108.700 107.228 1.472 19739 576 1 2 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.979 0.785 19739 577 1 2 . 1 1 68 68 GLY H H 68 8.069 8.069 7.322 0.747 19739 578 1 2 . 1 1 69 69 GLY N N 69 109.370 109.370 106.266 3.104 19739 579 1 2 . 1 1 69 69 GLY CA C 69 45.053 45.053 45.567 -0.514 19739 580 1 2 . 1 1 69 69 GLY H H 69 8.354 8.354 8.314 0.040 19739 581 1 2 . 1 1 70 70 GLY N N 70 109.700 109.700 107.491 2.209 19739 582 1 2 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.748 0.330 19739 583 1 2 . 1 1 70 70 GLY H H 70 8.428 8.428 7.722 0.706 19739 584 1 2 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.428 -0.068 19739 585 1 2 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.175 0.149 19739 586 1 2 . 1 1 71 71 PRO CB C 71 32.100 32.100 31.999 0.101 19739 587 1 2 . 1 1 72 72 TRP N N 72 118.420 118.420 120.285 -1.865 19739 588 1 2 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.603 -0.205 19739 589 1 2 . 1 1 72 72 TRP CA C 72 59.360 59.360 58.903 0.457 19739 590 1 2 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.692 -1.023 19739 591 1 2 . 1 1 72 72 TRP H H 72 8.204 8.204 7.611 0.593 19739 592 1 2 . 1 1 73 73 ASP N N 73 119.400 119.400 120.200 -0.800 19739 593 1 2 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.609 -0.184 19739 594 1 2 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.684 0.362 19739 595 1 2 . 1 1 73 73 ASP CB C 73 40.621 40.621 41.126 -0.505 19739 596 1 2 . 1 1 73 73 ASP H H 73 7.686 7.686 7.796 -0.110 19739 597 1 2 . 1 1 74 74 SER N N 74 110.610 110.610 114.182 -3.572 19739 598 1 2 . 1 1 74 74 SER HA H 74 4.250 4.250 4.320 -0.070 19739 599 1 2 . 1 1 74 74 SER CA C 74 59.125 59.125 59.869 -0.744 19739 600 1 2 . 1 1 74 74 SER H H 74 7.563 7.563 8.259 -0.696 19739 601 1 2 . 1 1 75 75 VAL N N 75 119.230 119.230 120.024 -0.794 19739 602 1 2 . 1 1 75 75 VAL HA H 75 3.799 3.799 3.959 -0.160 19739 603 1 2 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.382 1.275 19739 604 1 2 . 1 1 75 75 VAL H H 75 7.740 7.740 7.216 0.524 19739 605 1 2 . 1 1 76 76 ALA N N 76 120.240 120.240 119.773 0.467 19739 606 1 2 . 1 1 76 76 ALA CA C 76 51.869 51.869 50.494 1.375 19739 607 1 2 . 1 1 76 76 ALA H H 76 7.994 7.994 7.842 0.152 19739 608 1 2 . 1 1 77 77 ARG N N 77 119.730 119.730 122.249 -2.519 19739 609 1 2 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.789 0.123 19739 610 1 2 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.617 -1.936 19739 611 1 2 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.802 -12.097 19739 612 1 2 . 1 1 77 77 ARG H H 77 8.796 8.796 8.254 0.542 19739 613 1 2 . 1 1 78 78 VAL N N 78 123.460 123.460 124.766 -1.306 19739 614 1 2 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.741 -0.390 19739 615 1 2 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.993 0.227 19739 616 1 2 . 1 1 78 78 VAL H H 78 8.583 8.583 8.503 0.080 19739 617 1 2 . 1 1 79 79 LEU N N 79 128.990 128.990 129.692 -0.702 19739 618 1 2 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.837 1.974 19739 619 1 2 . 1 1 79 79 LEU H H 79 9.319 9.319 9.084 0.235 19739 620 1 2 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.348 0.049 19739 621 1 2 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.061 -1.550 19739 622 1 2 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.706 -0.006 19739 623 1 2 . 1 1 81 81 ASN N N 81 109.840 109.840 114.943 -5.103 19739 624 1 2 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.690 -0.117 19739 625 1 2 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.467 -0.302 19739 626 1 2 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.725 -0.525 19739 627 1 2 . 1 1 81 81 ASN H H 81 7.297 7.297 8.139 -0.842 19739 628 1 2 . 1 1 82 82 GLY N N 82 108.850 108.850 108.162 0.688 19739 629 1 2 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.120 0.635 19739 630 1 2 . 1 1 82 82 GLY H H 82 8.579 8.579 8.326 0.253 19739 631 1 2 . 1 1 83 83 SER N N 83 115.150 115.150 117.053 -1.903 19739 632 1 2 . 1 1 83 83 SER HA H 83 4.824 4.824 5.324 -0.500 19739 633 1 2 . 1 1 83 83 SER CA C 83 60.327 60.327 58.551 1.776 19739 634 1 2 . 1 1 83 83 SER H H 83 7.775 7.775 8.094 -0.319 19739 635 1 2 . 1 1 84 84 LEU N N 84 123.650 123.650 124.910 -1.260 19739 636 1 2 . 1 1 84 84 LEU HA H 84 4.279 4.279 4.911 -0.632 19739 637 1 2 . 1 1 84 84 LEU CA C 84 53.621 53.621 54.001 -0.380 19739 638 1 2 . 1 1 84 84 LEU CB C 84 42.079 42.079 44.589 -2.510 19739 639 1 2 . 1 1 84 84 LEU H H 84 8.781 8.781 9.155 -0.374 19739 640 1 2 . 1 1 85 85 PHE N N 85 126.120 126.120 127.451 -1.331 19739 641 1 2 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.086 0.282 19739 642 1 2 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.558 -1.365 19739 643 1 2 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.072 5.372 19739 644 1 2 . 1 1 85 85 PHE H H 85 8.991 8.991 9.489 -0.498 19739 645 1 2 . 1 1 86 86 LEU N N 86 129.500 129.500 129.609 -0.109 19739 646 1 2 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.544 2.620 19739 647 1 2 . 1 1 86 86 LEU H H 86 8.682 8.682 8.907 -0.225 19739 648 1 2 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.804 -0.395 19739 649 1 2 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.273 -0.172 19739 650 1 2 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.793 0.251 19739 651 1 2 . 1 1 88 88 ALA N N 88 115.010 115.010 118.946 -3.936 19739 652 1 2 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.383 -0.775 19739 653 1 2 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.349 0.278 19739 654 1 2 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.348 -1.448 19739 655 1 2 . 1 1 88 88 ALA H H 88 7.151 7.151 7.655 -0.504 19739 656 1 2 . 1 1 89 89 VAL N N 89 124.890 124.890 125.285 -0.395 19739 657 1 2 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.273 -0.480 19739 658 1 2 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.442 1.717 19739 659 1 2 . 1 1 89 89 VAL CB C 89 31.904 31.904 32.220 -0.316 19739 660 1 2 . 1 1 89 89 VAL H H 89 8.066 8.066 7.961 0.105 19739 661 1 2 . 1 1 90 90 GLY N N 90 116.780 116.780 115.231 1.549 19739 662 1 2 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.590 -1.097 19739 663 1 2 . 1 1 90 90 GLY H H 90 9.715 9.715 9.385 0.330 19739 664 1 2 . 1 1 91 91 ILE N N 91 118.490 118.490 115.133 3.357 19739 665 1 2 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.398 -0.596 19739 666 1 2 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.165 1.616 19739 667 1 2 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.307 0.093 19739 668 1 2 . 1 1 91 91 ILE H H 91 8.596 8.596 7.995 0.601 19739 669 1 2 . 1 1 92 92 GLN N N 92 116.720 116.720 119.724 -3.004 19739 670 1 2 . 1 1 92 92 GLN CA C 92 57.231 57.231 57.510 -0.279 19739 671 1 2 . 1 1 92 92 GLN H H 92 8.682 8.682 8.142 0.540 19739 672 1 2 . 1 1 93 93 ASP N N 93 115.890 115.890 117.003 -1.113 19739 673 1 2 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.934 -0.303 19739 674 1 2 . 1 1 93 93 ASP CA C 93 55.709 55.709 53.831 1.878 19739 675 1 2 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.806 1.094 19739 676 1 2 . 1 1 93 93 ASP H H 93 7.644 7.644 8.210 -0.566 19739 677 1 2 . 1 1 94 94 GLU N N 94 112.880 112.880 120.230 -7.350 19739 678 1 2 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.225 -0.134 19739 679 1 2 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.554 1.172 19739 680 1 2 . 1 1 94 94 GLU CB C 94 30.544 30.544 29.519 1.025 19739 681 1 2 . 1 1 94 94 GLU H H 94 6.666 6.666 7.871 -1.205 19739 682 1 2 . 1 1 95 95 GLY N N 95 109.750 109.750 109.893 -0.143 19739 683 1 2 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.987 0.072 19739 684 1 2 . 1 1 95 95 GLY H H 95 8.024 8.024 7.764 0.260 19739 685 1 2 . 1 1 96 96 ILE N N 96 119.990 119.990 120.743 -0.753 19739 686 1 2 . 1 1 96 96 ILE HA H 96 5.361 5.361 5.158 0.203 19739 687 1 2 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.537 -0.902 19739 688 1 2 . 1 1 96 96 ILE CB C 96 40.300 40.300 37.869 2.431 19739 689 1 2 . 1 1 96 96 ILE H H 96 7.658 7.658 8.086 -0.428 19739 690 1 2 . 1 1 97 97 PHE N N 97 124.050 124.050 128.286 -4.236 19739 691 1 2 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.541 0.771 19739 692 1 2 . 1 1 97 97 PHE CA C 97 56.466 56.466 57.897 -1.431 19739 693 1 2 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.916 2.628 19739 694 1 2 . 1 1 97 97 PHE H H 97 9.194 9.194 9.062 0.132 19739 695 1 2 . 1 1 98 98 ARG HA H 98 5.742 5.742 4.713 1.029 19739 696 1 2 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.846 -1.345 19739 697 1 2 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.839 2.445 19739 698 1 2 . 1 1 99 99 CYS N N 99 121.320 121.320 126.382 -5.062 19739 699 1 2 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.841 0.064 19739 700 1 2 . 1 1 99 99 CYS CA C 99 54.199 54.199 58.347 -4.148 19739 701 1 2 . 1 1 99 99 CYS H H 99 8.625 8.625 8.984 -0.359 19739 702 1 2 . 1 1 100 100 GLN N N 100 127.220 127.220 124.366 2.854 19739 703 1 2 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.905 -0.063 19739 704 1 2 . 1 1 100 100 GLN CB C 100 31.600 31.600 31.495 0.105 19739 705 1 2 . 1 1 100 100 GLN H H 100 8.390 8.390 8.023 0.367 19739 706 1 2 . 1 1 101 101 ALA N N 101 126.770 126.770 126.580 0.190 19739 707 1 2 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.484 -0.209 19739 708 1 2 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.719 -0.167 19739 709 1 2 . 1 1 101 101 ALA CB C 101 22.877 22.877 21.569 1.308 19739 710 1 2 . 1 1 101 101 ALA H H 101 8.623 8.623 8.539 0.084 19739 711 1 2 . 1 1 102 102 MET N N 102 119.560 119.560 120.621 -1.061 19739 712 1 2 . 1 1 102 102 MET HA H 102 4.959 4.959 5.407 -0.448 19739 713 1 2 . 1 1 102 102 MET CA C 102 54.225 54.225 53.563 0.662 19739 714 1 2 . 1 1 102 102 MET H H 102 8.085 8.085 8.382 -0.297 19739 715 1 2 . 1 1 103 103 ASN N N 103 122.280 122.280 123.516 -1.236 19739 716 1 2 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.796 0.060 19739 717 1 2 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.025 -0.440 19739 718 1 2 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.728 -1.249 19739 719 1 2 . 1 1 103 103 ASN H H 103 8.370 8.370 8.399 -0.029 19739 720 1 2 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.211 -0.101 19739 721 1 2 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.518 0.115 19739 722 1 2 . 1 1 104 104 ARG CB C 104 29.675 29.675 30.133 -0.458 19739 723 1 2 . 1 1 105 105 ASN N N 105 115.430 115.430 115.350 0.080 19739 724 1 2 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.742 0.045 19739 725 1 2 . 1 1 105 105 ASN CA C 105 52.846 52.846 53.169 -0.323 19739 726 1 2 . 1 1 105 105 ASN CB C 105 38.800 38.800 39.108 -0.308 19739 727 1 2 . 1 1 105 105 ASN H H 105 7.922 7.922 8.089 -0.167 19739 728 1 2 . 1 1 106 106 GLY N N 106 107.550 107.550 108.256 -0.706 19739 729 1 2 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.049 0.871 19739 730 1 2 . 1 1 106 106 GLY H H 106 8.036 8.036 8.081 -0.045 19739 731 1 2 . 1 1 107 107 LYS N N 107 119.970 119.970 121.067 -1.097 19739 732 1 2 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.019 -0.009 19739 733 1 2 . 1 1 107 107 LYS H H 107 7.716 7.716 7.542 0.174 19739 734 1 2 . 1 1 108 108 GLU N N 108 125.660 125.660 123.491 2.169 19739 735 1 2 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.367 -0.377 19739 736 1 2 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.788 0.736 19739 737 1 2 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.508 -0.427 19739 738 1 2 . 1 1 108 108 GLU H H 108 8.706 8.706 8.629 0.077 19739 739 1 2 . 1 1 109 109 THR N N 109 121.300 121.300 112.874 8.426 19739 740 1 2 . 1 1 109 109 THR HA H 109 4.485 4.485 4.458 0.027 19739 741 1 2 . 1 1 109 109 THR CA C 109 62.448 62.448 61.187 1.261 19739 742 1 2 . 1 1 109 109 THR CB C 109 70.670 70.670 70.796 -0.126 19739 743 1 2 . 1 1 109 109 THR H H 109 9.059 9.059 8.273 0.786 19739 744 1 2 . 1 1 110 110 LYS N N 110 127.017 127.017 124.762 2.255 19739 745 1 2 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.603 -0.140 19739 746 1 2 . 1 1 110 110 LYS H H 110 8.776 8.776 8.467 0.309 19739 747 1 2 . 1 1 111 111 SER HA H 111 4.628 4.628 4.532 0.096 19739 748 1 2 . 1 1 111 111 SER CA C 111 65.621 65.621 57.317 8.304 19739 749 1 2 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.409 -0.877 19739 750 1 2 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.592 3.776 19739 751 1 2 . 1 1 113 113 TYR N N 113 121.350 121.350 121.010 0.340 19739 752 1 2 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.811 0.785 19739 753 1 2 . 1 1 113 113 TYR CA C 113 56.721 56.721 56.868 -0.147 19739 754 1 2 . 1 1 113 113 TYR H H 113 9.582 9.582 9.092 0.490 19739 755 1 2 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.913 0.350 19739 756 1 2 . 1 1 114 114 ARG CA C 114 53.811 53.811 54.471 -0.659 19739 757 1 2 . 1 1 115 115 VAL N N 115 128.860 128.860 125.583 3.277 19739 758 1 2 . 1 1 115 115 VAL CA C 115 62.112 62.112 62.044 0.068 19739 759 1 2 . 1 1 115 115 VAL CB C 115 33.829 33.829 31.383 2.446 19739 760 1 2 . 1 1 115 115 VAL H H 115 9.299 9.299 7.717 1.582 19739 761 1 2 . 1 1 116 116 ARG N N 116 128.100 128.100 129.138 -1.038 19739 762 1 2 . 1 1 116 116 ARG HA H 116 4.945 4.945 4.786 0.159 19739 763 1 2 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.527 0.694 19739 764 1 2 . 1 1 116 116 ARG CB C 116 34.017 34.017 32.516 1.501 19739 765 1 2 . 1 1 116 116 ARG H H 116 8.728 8.728 9.206 -0.478 19739 766 1 2 . 1 1 117 117 VAL N N 117 120.340 120.340 122.664 -2.324 19739 767 1 2 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.675 0.344 19739 768 1 2 . 1 1 117 117 VAL CA C 117 60.524 60.524 60.827 -0.303 19739 769 1 2 . 1 1 117 117 VAL CB C 117 32.645 32.645 32.936 -0.291 19739 770 1 2 . 1 1 117 117 VAL H H 117 9.226 9.226 7.963 1.263 19739 771 1 2 . 1 1 118 118 TYR N N 118 122.880 122.880 121.955 0.925 19739 772 1 2 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.256 0.494 19739 773 1 2 . 1 1 118 118 TYR CA C 118 56.857 56.857 61.384 -4.527 19739 774 1 2 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.890 2.201 19739 775 1 2 . 1 1 118 118 TYR H H 118 8.668 8.668 8.204 0.464 19739 776 1 2 . 1 1 119 119 GLN N N 119 121.740 121.740 120.393 1.347 19739 777 1 2 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.414 -0.066 19739 778 1 2 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.766 -0.809 19739 779 1 2 . 1 1 119 119 GLN CB C 119 30.303 30.303 27.362 2.941 19739 780 1 2 . 1 1 119 119 GLN H H 119 8.351 8.351 8.474 -0.123 19739 781 1 2 . 1 1 120 120 ILE N N 120 123.720 123.720 121.785 1.935 19739 782 1 2 . 1 1 120 120 ILE H H 120 8.034 8.034 7.767 0.267 19739 783 1 3 . 1 1 24 24 GLN N N 24 121.380 121.380 123.073 -1.693 19739 784 1 3 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.414 0.080 19739 785 1 3 . 1 1 24 24 GLN CA C 24 54.966 54.966 53.994 0.972 19739 786 1 3 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.411 0.724 19739 787 1 3 . 1 1 24 24 GLN H H 24 8.313 8.313 8.131 0.182 19739 788 1 3 . 1 1 25 25 ASN N N 25 125.370 125.370 121.366 4.004 19739 789 1 3 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.369 0.001 19739 790 1 3 . 1 1 25 25 ASN CA C 25 53.735 53.735 53.025 0.710 19739 791 1 3 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.550 -0.195 19739 792 1 3 . 1 1 25 25 ASN H H 25 8.962 8.962 8.694 0.268 19739 793 1 3 . 1 1 26 26 ILE N N 26 126.350 126.350 125.091 1.259 19739 794 1 3 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.458 0.098 19739 795 1 3 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.684 -2.231 19739 796 1 3 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.265 -1.328 19739 797 1 3 . 1 1 26 26 ILE H H 26 9.208 9.208 9.071 0.137 19739 798 1 3 . 1 1 27 27 THR N N 27 122.550 122.550 122.840 -0.290 19739 799 1 3 . 1 1 27 27 THR HA H 27 5.144 5.144 5.150 -0.006 19739 800 1 3 . 1 1 27 27 THR CA C 27 60.949 60.949 61.800 -0.851 19739 801 1 3 . 1 1 27 27 THR CB C 27 69.931 69.931 69.184 0.747 19739 802 1 3 . 1 1 27 27 THR H H 27 8.652 8.652 8.512 0.140 19739 803 1 3 . 1 1 28 28 ALA N N 28 129.260 129.260 129.731 -0.471 19739 804 1 3 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.767 -0.097 19739 805 1 3 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.427 -0.193 19739 806 1 3 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.235 1.006 19739 807 1 3 . 1 1 28 28 ALA H H 28 8.965 8.965 9.201 -0.236 19739 808 1 3 . 1 1 29 29 ARG N N 29 120.870 120.870 119.120 1.750 19739 809 1 3 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.688 -0.339 19739 810 1 3 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.325 0.713 19739 811 1 3 . 1 1 29 29 ARG CB C 29 31.464 31.464 32.745 -1.281 19739 812 1 3 . 1 1 29 29 ARG H H 29 8.248 8.248 8.621 -0.373 19739 813 1 3 . 1 1 30 30 ILE N N 30 122.830 122.830 122.035 0.795 19739 814 1 3 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.626 -1.110 19739 815 1 3 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.885 0.955 19739 816 1 3 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.218 1.081 19739 817 1 3 . 1 1 30 30 ILE H H 30 8.173 8.173 8.655 -0.482 19739 818 1 3 . 1 1 31 31 GLY N N 31 114.180 114.180 114.857 -0.677 19739 819 1 3 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.867 -0.074 19739 820 1 3 . 1 1 31 31 GLY H H 31 9.525 9.525 9.086 0.439 19739 821 1 3 . 1 1 32 32 GLU N N 32 120.550 120.550 122.330 -1.780 19739 822 1 3 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.772 0.007 19739 823 1 3 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.978 2.245 19739 824 1 3 . 1 1 32 32 GLU CB C 32 29.952 29.952 30.788 -0.836 19739 825 1 3 . 1 1 32 32 GLU H H 32 7.634 7.634 7.710 -0.076 19739 826 1 3 . 1 1 33 33 PRO HA H 33 4.563 4.563 4.816 -0.253 19739 827 1 3 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.795 -0.855 19739 828 1 3 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.362 0.538 19739 829 1 3 . 1 1 34 34 LEU N N 34 121.680 121.680 125.056 -3.376 19739 830 1 3 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.775 -0.247 19739 831 1 3 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.190 -0.014 19739 832 1 3 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.838 0.479 19739 833 1 3 . 1 1 34 34 LEU H H 34 8.519 8.519 8.524 -0.005 19739 834 1 3 . 1 1 35 35 VAL N N 35 124.430 124.430 122.976 1.454 19739 835 1 3 . 1 1 35 35 VAL HA H 35 5.000 5.000 4.732 0.268 19739 836 1 3 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.508 -1.101 19739 837 1 3 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.557 0.958 19739 838 1 3 . 1 1 35 35 VAL H H 35 8.066 8.066 8.343 -0.277 19739 839 1 3 . 1 1 36 36 LEU N N 36 126.670 126.670 129.777 -3.107 19739 840 1 3 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.820 -0.430 19739 841 1 3 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.698 -1.536 19739 842 1 3 . 1 1 36 36 LEU H H 36 8.883 8.883 9.052 -0.169 19739 843 1 3 . 1 1 37 37 LYS N N 37 121.220 121.220 121.136 0.084 19739 844 1 3 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.982 -0.446 19739 845 1 3 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.872 0.794 19739 846 1 3 . 1 1 37 37 LYS CB C 37 33.609 33.609 34.228 -0.619 19739 847 1 3 . 1 1 37 37 LYS H H 37 8.399 8.399 8.404 -0.005 19739 848 1 3 . 1 1 38 38 CYS N N 38 126.370 126.370 124.806 1.564 19739 849 1 3 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.864 -0.171 19739 850 1 3 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.042 -1.609 19739 851 1 3 . 1 1 38 38 CYS CB C 38 44.031 44.031 27.504 16.527 19739 852 1 3 . 1 1 38 38 CYS H H 38 8.878 8.878 9.010 -0.132 19739 853 1 3 . 1 1 39 39 LYS N N 39 126.170 126.170 125.293 0.877 19739 854 1 3 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.451 -0.557 19739 855 1 3 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.355 2.262 19739 856 1 3 . 1 1 39 39 LYS CB C 39 31.967 31.967 31.186 0.781 19739 857 1 3 . 1 1 39 39 LYS H H 39 7.686 7.686 8.794 -1.108 19739 858 1 3 . 1 1 40 40 GLY N N 40 108.770 108.770 110.900 -2.130 19739 859 1 3 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.427 -0.335 19739 860 1 3 . 1 1 40 40 GLY H H 40 8.228 8.228 8.229 -0.001 19739 861 1 3 . 1 1 41 41 ALA N N 41 122.190 122.190 123.733 -1.543 19739 862 1 3 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.873 -0.531 19739 863 1 3 . 1 1 41 41 ALA CA C 41 49.967 49.967 49.869 0.098 19739 864 1 3 . 1 1 41 41 ALA CB C 41 17.899 17.899 19.324 -1.425 19739 865 1 3 . 1 1 41 41 ALA H H 41 7.403 7.403 7.874 -0.471 19739 866 1 3 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.614 -0.090 19739 867 1 3 . 1 1 42 42 PRO CA C 42 62.939 62.939 62.213 0.726 19739 868 1 3 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.506 0.233 19739 869 1 3 . 1 1 43 43 LYS N N 43 118.900 118.900 118.647 0.253 19739 870 1 3 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.379 -0.271 19739 871 1 3 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.443 1.426 19739 872 1 3 . 1 1 43 43 LYS CB C 43 33.223 33.223 31.282 1.941 19739 873 1 3 . 1 1 43 43 LYS H H 43 8.447 8.447 8.466 -0.019 19739 874 1 3 . 1 1 44 44 LYS N N 44 115.950 115.950 120.136 -4.186 19739 875 1 3 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.641 -0.020 19739 876 1 3 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.452 -0.466 19739 877 1 3 . 1 1 44 44 LYS H H 44 7.377 7.377 7.173 0.204 19739 878 1 3 . 1 1 46 46 PRO CB C 46 34.657 34.657 32.015 2.642 19739 879 1 3 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.709 -0.351 19739 880 1 3 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.316 0.690 19739 881 1 3 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.618 2.082 19739 882 1 3 . 1 1 48 48 ARG N N 48 125.070 125.070 120.077 4.993 19739 883 1 3 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.320 -0.206 19739 884 1 3 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.226 -10.636 19739 885 1 3 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.919 -1.419 19739 886 1 3 . 1 1 48 48 ARG H H 48 9.071 9.071 8.637 0.434 19739 887 1 3 . 1 1 49 49 LEU N N 49 121.150 121.150 126.453 -5.303 19739 888 1 3 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.797 0.468 19739 889 1 3 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.176 0.133 19739 890 1 3 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.713 0.135 19739 891 1 3 . 1 1 49 49 LEU H H 49 7.798 7.798 8.475 -0.677 19739 892 1 3 . 1 1 50 50 GLU N N 50 120.200 120.200 126.539 -6.339 19739 893 1 3 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.509 0.226 19739 894 1 3 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.359 0.588 19739 895 1 3 . 1 1 50 50 GLU CB C 50 34.237 34.237 29.467 4.770 19739 896 1 3 . 1 1 50 50 GLU H H 50 8.380 8.380 8.176 0.204 19739 897 1 3 . 1 1 51 51 TRP N N 51 125.560 125.560 127.752 -2.192 19739 898 1 3 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.486 1.016 19739 899 1 3 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.742 -3.022 19739 900 1 3 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.221 2.299 19739 901 1 3 . 1 1 51 51 TRP H H 51 9.161 9.161 8.046 1.115 19739 902 1 3 . 1 1 52 52 LYS N N 52 120.150 120.150 123.674 -3.524 19739 903 1 3 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.929 0.643 19739 904 1 3 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.880 0.076 19739 905 1 3 . 1 1 52 52 LYS CB C 52 36.900 36.900 37.200 -0.300 19739 906 1 3 . 1 1 52 52 LYS H H 52 9.775 9.775 8.024 1.751 19739 907 1 3 . 1 1 53 53 LEU N N 53 122.450 122.450 114.227 8.223 19739 908 1 3 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.854 0.512 19739 909 1 3 . 1 1 53 53 LEU CA C 53 54.321 54.321 54.066 0.256 19739 910 1 3 . 1 1 53 53 LEU H H 53 9.238 9.238 7.829 1.409 19739 911 1 3 . 1 1 54 54 ASN N N 54 123.200 123.200 121.095 2.105 19739 912 1 3 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.809 -0.032 19739 913 1 3 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.769 1.173 19739 914 1 3 . 1 1 54 54 ASN H H 54 8.913 8.913 8.817 0.096 19739 915 1 3 . 1 1 55 55 THR N N 55 112.570 112.570 118.088 -5.518 19739 916 1 3 . 1 1 55 55 THR HA H 55 5.063 5.063 4.502 0.561 19739 917 1 3 . 1 1 55 55 THR CA C 55 68.927 68.927 61.267 7.660 19739 918 1 3 . 1 1 55 55 THR H H 55 8.074 8.074 7.489 0.585 19739 919 1 3 . 1 1 56 56 GLY N N 56 108.640 108.640 110.570 -1.930 19739 920 1 3 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.175 2.126 19739 921 1 3 . 1 1 56 56 GLY H H 56 7.982 7.982 8.634 -0.652 19739 922 1 3 . 1 1 57 57 ARG N N 57 116.810 116.810 121.259 -4.449 19739 923 1 3 . 1 1 57 57 ARG H H 57 7.955 7.955 8.199 -0.244 19739 924 1 3 . 1 1 58 58 THR N N 58 108.470 108.470 110.100 -1.630 19739 925 1 3 . 1 1 58 58 THR HA H 58 4.495 4.495 4.203 0.292 19739 926 1 3 . 1 1 58 58 THR CA C 58 61.154 61.154 62.928 -1.774 19739 927 1 3 . 1 1 58 58 THR CB C 58 70.200 70.200 67.431 2.768 19739 928 1 3 . 1 1 58 58 THR H H 58 7.284 7.284 8.321 -1.037 19739 929 1 3 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.380 -0.274 19739 930 1 3 . 1 1 59 59 GLU CA C 59 57.300 57.300 58.342 -1.042 19739 931 1 3 . 1 1 60 60 ALA N N 60 120.840 120.840 123.857 -3.017 19739 932 1 3 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.539 -0.470 19739 933 1 3 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.840 -0.149 19739 934 1 3 . 1 1 60 60 ALA CB C 60 19.620 19.620 18.088 1.532 19739 935 1 3 . 1 1 60 60 ALA H H 60 7.887 7.887 8.215 -0.328 19739 936 1 3 . 1 1 61 61 TRP N N 61 118.780 118.780 123.725 -4.945 19739 937 1 3 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.659 -0.558 19739 938 1 3 . 1 1 61 61 TRP CA C 61 58.270 58.270 56.772 1.498 19739 939 1 3 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.485 -2.026 19739 940 1 3 . 1 1 61 61 TRP H H 61 7.621 7.621 7.868 -0.247 19739 941 1 3 . 1 1 62 62 LYS N N 62 124.070 124.070 124.851 -0.781 19739 942 1 3 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.950 0.856 19739 943 1 3 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.250 -1.148 19739 944 1 3 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.224 -2.200 19739 945 1 3 . 1 1 62 62 LYS H H 62 9.201 9.201 8.057 1.144 19739 946 1 3 . 1 1 63 63 VAL N N 63 120.380 120.380 123.688 -3.308 19739 947 1 3 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.950 1.081 19739 948 1 3 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.639 -1.302 19739 949 1 3 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.805 1.905 19739 950 1 3 . 1 1 63 63 VAL H H 63 9.268 9.268 7.999 1.269 19739 951 1 3 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.494 0.156 19739 952 1 3 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.598 0.378 19739 953 1 3 . 1 1 64 64 LEU CB C 64 43.868 43.868 42.928 0.940 19739 954 1 3 . 1 1 65 65 SER N N 65 117.960 117.960 116.510 1.450 19739 955 1 3 . 1 1 65 65 SER HA H 65 5.092 5.092 4.975 0.117 19739 956 1 3 . 1 1 65 65 SER CA C 65 55.790 55.790 54.947 0.843 19739 957 1 3 . 1 1 65 65 SER CB C 65 64.408 64.408 65.132 -0.724 19739 958 1 3 . 1 1 65 65 SER H H 65 8.654 8.654 8.083 0.571 19739 959 1 3 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.404 -0.055 19739 960 1 3 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.624 -0.073 19739 961 1 3 . 1 1 67 67 GLN N N 67 116.960 116.960 116.988 -0.028 19739 962 1 3 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.526 -0.192 19739 963 1 3 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.407 1.197 19739 964 1 3 . 1 1 67 67 GLN CB C 67 28.733 28.733 30.282 -1.549 19739 965 1 3 . 1 1 67 67 GLN H H 67 8.212 8.212 7.723 0.489 19739 966 1 3 . 1 1 68 68 GLY N N 68 108.700 108.700 106.911 1.789 19739 967 1 3 . 1 1 68 68 GLY CA C 68 45.764 45.764 45.075 0.688 19739 968 1 3 . 1 1 68 68 GLY H H 68 8.069 8.069 7.439 0.630 19739 969 1 3 . 1 1 69 69 GLY N N 69 109.370 109.370 107.800 1.570 19739 970 1 3 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.075 0.978 19739 971 1 3 . 1 1 69 69 GLY H H 69 8.354 8.354 8.419 -0.065 19739 972 1 3 . 1 1 70 70 GLY N N 70 109.700 109.700 105.933 3.767 19739 973 1 3 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.562 0.516 19739 974 1 3 . 1 1 70 70 GLY H H 70 8.428 8.428 7.696 0.732 19739 975 1 3 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.420 -0.060 19739 976 1 3 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.237 0.087 19739 977 1 3 . 1 1 71 71 PRO CB C 71 32.100 32.100 32.158 -0.058 19739 978 1 3 . 1 1 72 72 TRP N N 72 118.420 118.420 120.342 -1.922 19739 979 1 3 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.498 -0.100 19739 980 1 3 . 1 1 72 72 TRP CA C 72 59.360 59.360 58.278 1.082 19739 981 1 3 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.348 -0.679 19739 982 1 3 . 1 1 72 72 TRP H H 72 8.204 8.204 7.916 0.288 19739 983 1 3 . 1 1 73 73 ASP N N 73 119.400 119.400 119.869 -0.469 19739 984 1 3 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.449 -0.024 19739 985 1 3 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.683 0.363 19739 986 1 3 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.949 -0.328 19739 987 1 3 . 1 1 73 73 ASP H H 73 7.686 7.686 7.962 -0.276 19739 988 1 3 . 1 1 74 74 SER N N 74 110.610 110.610 115.410 -4.800 19739 989 1 3 . 1 1 74 74 SER HA H 74 4.250 4.250 4.325 -0.075 19739 990 1 3 . 1 1 74 74 SER CA C 74 59.125 59.125 60.214 -1.089 19739 991 1 3 . 1 1 74 74 SER H H 74 7.563 7.563 7.780 -0.217 19739 992 1 3 . 1 1 75 75 VAL N N 75 119.230 119.230 120.287 -1.057 19739 993 1 3 . 1 1 75 75 VAL HA H 75 3.799 3.799 3.991 -0.192 19739 994 1 3 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.597 1.060 19739 995 1 3 . 1 1 75 75 VAL H H 75 7.740 7.740 7.261 0.479 19739 996 1 3 . 1 1 76 76 ALA N N 76 120.240 120.240 119.640 0.600 19739 997 1 3 . 1 1 76 76 ALA CA C 76 51.869 51.869 49.975 1.894 19739 998 1 3 . 1 1 76 76 ALA H H 76 7.994 7.994 7.684 0.310 19739 999 1 3 . 1 1 77 77 ARG N N 77 119.730 119.730 121.166 -1.436 19739 1000 1 3 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.640 0.272 19739 1001 1 3 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.359 -1.678 19739 1002 1 3 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.275 -11.570 19739 1003 1 3 . 1 1 77 77 ARG H H 77 8.796 8.796 8.350 0.446 19739 1004 1 3 . 1 1 78 78 VAL N N 78 123.460 123.460 126.187 -2.727 19739 1005 1 3 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.553 -0.202 19739 1006 1 3 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.873 0.347 19739 1007 1 3 . 1 1 78 78 VAL H H 78 8.583 8.583 8.527 0.056 19739 1008 1 3 . 1 1 79 79 LEU N N 79 128.990 128.990 130.460 -1.470 19739 1009 1 3 . 1 1 79 79 LEU CA C 79 53.812 53.812 52.206 1.606 19739 1010 1 3 . 1 1 79 79 LEU H H 79 9.319 9.319 9.062 0.257 19739 1011 1 3 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.335 0.062 19739 1012 1 3 . 1 1 80 80 PRO CA C 80 63.511 63.511 64.989 -1.478 19739 1013 1 3 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.640 0.060 19739 1014 1 3 . 1 1 81 81 ASN N N 81 109.840 109.840 115.132 -5.292 19739 1015 1 3 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.670 -0.097 19739 1016 1 3 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.641 -0.476 19739 1017 1 3 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.789 -0.590 19739 1018 1 3 . 1 1 81 81 ASN H H 81 7.297 7.297 8.186 -0.889 19739 1019 1 3 . 1 1 82 82 GLY N N 82 108.850 108.850 108.065 0.785 19739 1020 1 3 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.075 0.680 19739 1021 1 3 . 1 1 82 82 GLY H H 82 8.579 8.579 8.318 0.261 19739 1022 1 3 . 1 1 83 83 SER N N 83 115.150 115.150 117.072 -1.922 19739 1023 1 3 . 1 1 83 83 SER HA H 83 4.824 4.824 5.314 -0.490 19739 1024 1 3 . 1 1 83 83 SER CA C 83 60.327 60.327 58.390 1.937 19739 1025 1 3 . 1 1 83 83 SER H H 83 7.775 7.775 8.108 -0.333 19739 1026 1 3 . 1 1 84 84 LEU N N 84 123.650 123.650 126.172 -2.522 19739 1027 1 3 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.116 -0.837 19739 1028 1 3 . 1 1 84 84 LEU CA C 84 53.621 53.621 54.041 -0.420 19739 1029 1 3 . 1 1 84 84 LEU CB C 84 42.079 42.079 45.114 -3.035 19739 1030 1 3 . 1 1 84 84 LEU H H 84 8.781 8.781 9.165 -0.384 19739 1031 1 3 . 1 1 85 85 PHE N N 85 126.120 126.120 127.899 -1.779 19739 1032 1 3 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.312 0.056 19739 1033 1 3 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.275 -1.082 19739 1034 1 3 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.971 4.472 19739 1035 1 3 . 1 1 85 85 PHE H H 85 8.991 8.991 9.288 -0.297 19739 1036 1 3 . 1 1 86 86 LEU N N 86 129.500 129.500 128.646 0.854 19739 1037 1 3 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.236 2.928 19739 1038 1 3 . 1 1 86 86 LEU H H 86 8.682 8.682 8.617 0.065 19739 1039 1 3 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.955 -0.546 19739 1040 1 3 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.244 -0.143 19739 1041 1 3 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.894 0.150 19739 1042 1 3 . 1 1 88 88 ALA N N 88 115.010 115.010 117.014 -2.004 19739 1043 1 3 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.480 -0.872 19739 1044 1 3 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.426 0.201 19739 1045 1 3 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.648 -1.748 19739 1046 1 3 . 1 1 88 88 ALA H H 88 7.151 7.151 7.478 -0.327 19739 1047 1 3 . 1 1 89 89 VAL N N 89 124.890 124.890 125.481 -0.591 19739 1048 1 3 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.254 -0.461 19739 1049 1 3 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.679 1.480 19739 1050 1 3 . 1 1 89 89 VAL CB C 89 31.904 31.904 31.863 0.041 19739 1051 1 3 . 1 1 89 89 VAL H H 89 8.066 8.066 8.369 -0.303 19739 1052 1 3 . 1 1 90 90 GLY N N 90 116.780 116.780 116.581 0.199 19739 1053 1 3 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.373 -0.880 19739 1054 1 3 . 1 1 90 90 GLY H H 90 9.715 9.715 9.373 0.342 19739 1055 1 3 . 1 1 91 91 ILE N N 91 118.490 118.490 115.040 3.450 19739 1056 1 3 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.546 -0.744 19739 1057 1 3 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.705 1.076 19739 1058 1 3 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.956 -0.556 19739 1059 1 3 . 1 1 91 91 ILE H H 91 8.596 8.596 8.134 0.462 19739 1060 1 3 . 1 1 92 92 GLN N N 92 116.720 116.720 120.709 -3.989 19739 1061 1 3 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.376 -1.145 19739 1062 1 3 . 1 1 92 92 GLN H H 92 8.682 8.682 8.513 0.169 19739 1063 1 3 . 1 1 93 93 ASP N N 93 115.890 115.890 116.659 -0.769 19739 1064 1 3 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.977 -0.346 19739 1065 1 3 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.082 1.627 19739 1066 1 3 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.293 1.607 19739 1067 1 3 . 1 1 93 93 ASP H H 93 7.644 7.644 8.576 -0.932 19739 1068 1 3 . 1 1 94 94 GLU N N 94 112.880 112.880 119.676 -6.796 19739 1069 1 3 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.060 0.031 19739 1070 1 3 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.743 0.983 19739 1071 1 3 . 1 1 94 94 GLU CB C 94 30.544 30.544 30.575 -0.030 19739 1072 1 3 . 1 1 94 94 GLU H H 94 6.666 6.666 7.284 -0.618 19739 1073 1 3 . 1 1 95 95 GLY N N 95 109.750 109.750 109.868 -0.118 19739 1074 1 3 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.757 0.302 19739 1075 1 3 . 1 1 95 95 GLY H H 95 8.024 8.024 7.800 0.224 19739 1076 1 3 . 1 1 96 96 ILE N N 96 119.990 119.990 120.799 -0.809 19739 1077 1 3 . 1 1 96 96 ILE HA H 96 5.361 5.361 4.943 0.418 19739 1078 1 3 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.186 -0.551 19739 1079 1 3 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.277 2.023 19739 1080 1 3 . 1 1 96 96 ILE H H 96 7.658 7.658 7.591 0.067 19739 1081 1 3 . 1 1 97 97 PHE N N 97 124.050 124.050 126.978 -2.928 19739 1082 1 3 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.491 0.821 19739 1083 1 3 . 1 1 97 97 PHE CA C 97 56.466 56.466 56.587 -0.121 19739 1084 1 3 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.494 3.050 19739 1085 1 3 . 1 1 97 97 PHE H H 97 9.194 9.194 8.736 0.458 19739 1086 1 3 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.050 0.692 19739 1087 1 3 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.543 -1.042 19739 1088 1 3 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.858 2.425 19739 1089 1 3 . 1 1 99 99 CYS N N 99 121.320 121.320 125.875 -4.555 19739 1090 1 3 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.256 0.649 19739 1091 1 3 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.040 -4.841 19739 1092 1 3 . 1 1 99 99 CYS H H 99 8.625 8.625 8.839 -0.214 19739 1093 1 3 . 1 1 100 100 GLN N N 100 127.220 127.220 124.814 2.406 19739 1094 1 3 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.856 -0.014 19739 1095 1 3 . 1 1 100 100 GLN CB C 100 31.600 31.600 31.829 -0.229 19739 1096 1 3 . 1 1 100 100 GLN H H 100 8.390 8.390 7.939 0.451 19739 1097 1 3 . 1 1 101 101 ALA N N 101 126.770 126.770 127.802 -1.032 19739 1098 1 3 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.616 -0.341 19739 1099 1 3 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.605 -0.054 19739 1100 1 3 . 1 1 101 101 ALA CB C 101 22.877 22.877 21.921 0.956 19739 1101 1 3 . 1 1 101 101 ALA H H 101 8.623 8.623 8.606 0.017 19739 1102 1 3 . 1 1 102 102 MET N N 102 119.560 119.560 122.678 -3.118 19739 1103 1 3 . 1 1 102 102 MET HA H 102 4.959 4.959 5.587 -0.628 19739 1104 1 3 . 1 1 102 102 MET CA C 102 54.225 54.225 53.398 0.827 19739 1105 1 3 . 1 1 102 102 MET H H 102 8.085 8.085 8.218 -0.133 19739 1106 1 3 . 1 1 103 103 ASN N N 103 122.280 122.280 123.470 -1.190 19739 1107 1 3 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.861 -0.005 19739 1108 1 3 . 1 1 103 103 ASN CA C 103 51.585 51.585 51.814 -0.229 19739 1109 1 3 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.849 -1.370 19739 1110 1 3 . 1 1 103 103 ASN H H 103 8.370 8.370 8.060 0.310 19739 1111 1 3 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.257 -0.147 19739 1112 1 3 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.346 0.287 19739 1113 1 3 . 1 1 104 104 ARG CB C 104 29.675 29.675 30.031 -0.356 19739 1114 1 3 . 1 1 105 105 ASN N N 105 115.430 115.430 115.855 -0.425 19739 1115 1 3 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.718 0.069 19739 1116 1 3 . 1 1 105 105 ASN CA C 105 52.846 52.846 52.893 -0.047 19739 1117 1 3 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.929 -0.129 19739 1118 1 3 . 1 1 105 105 ASN H H 105 7.922 7.922 8.120 -0.198 19739 1119 1 3 . 1 1 106 106 GLY N N 106 107.550 107.550 108.909 -1.359 19739 1120 1 3 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.185 0.735 19739 1121 1 3 . 1 1 106 106 GLY H H 106 8.036 8.036 7.923 0.113 19739 1122 1 3 . 1 1 107 107 LYS N N 107 119.970 119.970 123.545 -3.575 19739 1123 1 3 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.752 -0.742 19739 1124 1 3 . 1 1 107 107 LYS H H 107 7.716 7.716 7.799 -0.083 19739 1125 1 3 . 1 1 108 108 GLU N N 108 125.660 125.660 123.731 1.929 19739 1126 1 3 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.591 -0.601 19739 1127 1 3 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.511 1.013 19739 1128 1 3 . 1 1 108 108 GLU CB C 108 32.080 32.080 31.762 0.318 19739 1129 1 3 . 1 1 108 108 GLU H H 108 8.706 8.706 8.513 0.193 19739 1130 1 3 . 1 1 109 109 THR N N 109 121.300 121.300 112.629 8.671 19739 1131 1 3 . 1 1 109 109 THR HA H 109 4.485 4.485 4.381 0.104 19739 1132 1 3 . 1 1 109 109 THR CA C 109 62.448 62.448 61.330 1.118 19739 1133 1 3 . 1 1 109 109 THR CB C 109 70.670 70.670 69.945 0.724 19739 1134 1 3 . 1 1 109 109 THR H H 109 9.059 9.059 7.980 1.079 19739 1135 1 3 . 1 1 110 110 LYS N N 110 127.017 127.017 128.978 -1.961 19739 1136 1 3 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.705 -0.242 19739 1137 1 3 . 1 1 110 110 LYS H H 110 8.776 8.776 8.455 0.321 19739 1138 1 3 . 1 1 111 111 SER HA H 111 4.628 4.628 4.580 0.048 19739 1139 1 3 . 1 1 111 111 SER CA C 111 65.621 65.621 57.083 8.538 19739 1140 1 3 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.598 -1.066 19739 1141 1 3 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.868 3.500 19739 1142 1 3 . 1 1 113 113 TYR N N 113 121.350 121.350 121.932 -0.582 19739 1143 1 3 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.918 0.678 19739 1144 1 3 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.160 -0.439 19739 1145 1 3 . 1 1 113 113 TYR H H 113 9.582 9.582 8.802 0.780 19739 1146 1 3 . 1 1 114 114 ARG HA H 114 5.263 5.263 5.137 0.126 19739 1147 1 3 . 1 1 114 114 ARG CA C 114 53.811 53.811 54.023 -0.212 19739 1148 1 3 . 1 1 115 115 VAL N N 115 128.860 128.860 126.338 2.522 19739 1149 1 3 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.427 0.685 19739 1150 1 3 . 1 1 115 115 VAL CB C 115 33.829 33.829 32.059 1.770 19739 1151 1 3 . 1 1 115 115 VAL H H 115 9.299 9.299 8.195 1.104 19739 1152 1 3 . 1 1 116 116 ARG N N 116 128.100 128.100 127.448 0.652 19739 1153 1 3 . 1 1 116 116 ARG HA H 116 4.945 4.945 5.144 -0.199 19739 1154 1 3 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.855 0.366 19739 1155 1 3 . 1 1 116 116 ARG CB C 116 34.017 34.017 34.003 0.014 19739 1156 1 3 . 1 1 116 116 ARG H H 116 8.728 8.728 9.067 -0.339 19739 1157 1 3 . 1 1 117 117 VAL N N 117 120.340 120.340 120.524 -0.184 19739 1158 1 3 . 1 1 117 117 VAL HA H 117 5.019 5.019 5.200 -0.181 19739 1159 1 3 . 1 1 117 117 VAL CA C 117 60.524 60.524 60.201 0.323 19739 1160 1 3 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.729 -1.084 19739 1161 1 3 . 1 1 117 117 VAL H H 117 9.226 9.226 8.573 0.653 19739 1162 1 3 . 1 1 118 118 TYR N N 118 122.880 122.880 119.098 3.782 19739 1163 1 3 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.307 0.443 19739 1164 1 3 . 1 1 118 118 TYR CA C 118 56.857 56.857 60.612 -3.755 19739 1165 1 3 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.690 2.401 19739 1166 1 3 . 1 1 118 118 TYR H H 118 8.668 8.668 8.143 0.525 19739 1167 1 3 . 1 1 119 119 GLN N N 119 121.740 121.740 118.869 2.871 19739 1168 1 3 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.466 -0.118 19739 1169 1 3 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.367 -0.410 19739 1170 1 3 . 1 1 119 119 GLN CB C 119 30.303 30.303 27.784 2.519 19739 1171 1 3 . 1 1 119 119 GLN H H 119 8.351 8.351 8.199 0.152 19739 1172 1 3 . 1 1 120 120 ILE N N 120 123.720 123.720 120.745 2.975 19739 1173 1 3 . 1 1 120 120 ILE H H 120 8.034 8.034 8.003 0.031 19739 1174 1 4 . 1 1 24 24 GLN N N 24 121.380 121.380 120.030 1.350 19739 1175 1 4 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.422 0.072 19739 1176 1 4 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.745 0.221 19739 1177 1 4 . 1 1 24 24 GLN CB C 24 30.135 30.135 30.254 -0.119 19739 1178 1 4 . 1 1 24 24 GLN H H 24 8.313 8.313 8.543 -0.230 19739 1179 1 4 . 1 1 25 25 ASN N N 25 125.370 125.370 118.873 6.497 19739 1180 1 4 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.209 0.161 19739 1181 1 4 . 1 1 25 25 ASN CA C 25 53.735 53.735 52.816 0.919 19739 1182 1 4 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.481 -0.126 19739 1183 1 4 . 1 1 25 25 ASN H H 25 8.962 8.962 8.544 0.418 19739 1184 1 4 . 1 1 26 26 ILE N N 26 126.350 126.350 125.980 0.370 19739 1185 1 4 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.447 0.109 19739 1186 1 4 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.431 -1.978 19739 1187 1 4 . 1 1 26 26 ILE CB C 26 39.937 39.937 40.805 -0.868 19739 1188 1 4 . 1 1 26 26 ILE H H 26 9.208 9.208 9.053 0.155 19739 1189 1 4 . 1 1 27 27 THR N N 27 122.550 122.550 120.179 2.371 19739 1190 1 4 . 1 1 27 27 THR HA H 27 5.144 5.144 5.045 0.099 19739 1191 1 4 . 1 1 27 27 THR CA C 27 60.949 60.949 60.492 0.457 19739 1192 1 4 . 1 1 27 27 THR CB C 27 69.931 69.931 69.256 0.675 19739 1193 1 4 . 1 1 27 27 THR H H 27 8.652 8.652 8.392 0.260 19739 1194 1 4 . 1 1 28 28 ALA N N 28 129.260 129.260 128.977 0.283 19739 1195 1 4 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.775 -0.105 19739 1196 1 4 . 1 1 28 28 ALA CA C 28 50.234 50.234 49.597 0.637 19739 1197 1 4 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.115 1.126 19739 1198 1 4 . 1 1 28 28 ALA H H 28 8.965 8.965 8.884 0.081 19739 1199 1 4 . 1 1 29 29 ARG N N 29 120.870 120.870 119.402 1.468 19739 1200 1 4 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.822 -0.473 19739 1201 1 4 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.250 0.788 19739 1202 1 4 . 1 1 29 29 ARG CB C 29 31.464 31.464 33.452 -1.988 19739 1203 1 4 . 1 1 29 29 ARG H H 29 8.248 8.248 8.505 -0.257 19739 1204 1 4 . 1 1 30 30 ILE N N 30 122.830 122.830 121.791 1.039 19739 1205 1 4 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.572 -1.056 19739 1206 1 4 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.672 1.167 19739 1207 1 4 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.139 1.161 19739 1208 1 4 . 1 1 30 30 ILE H H 30 8.173 8.173 8.685 -0.512 19739 1209 1 4 . 1 1 31 31 GLY N N 31 114.180 114.180 114.626 -0.446 19739 1210 1 4 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.932 -0.140 19739 1211 1 4 . 1 1 31 31 GLY H H 31 9.525 9.525 9.144 0.381 19739 1212 1 4 . 1 1 32 32 GLU N N 32 120.550 120.550 120.777 -0.227 19739 1213 1 4 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.793 -0.014 19739 1214 1 4 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.170 3.053 19739 1215 1 4 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.660 -1.708 19739 1216 1 4 . 1 1 32 32 GLU H H 32 7.634 7.634 7.558 0.076 19739 1217 1 4 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.017 -0.454 19739 1218 1 4 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.457 -0.516 19739 1219 1 4 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.311 0.589 19739 1220 1 4 . 1 1 34 34 LEU N N 34 121.680 121.680 125.649 -3.969 19739 1221 1 4 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.641 -0.113 19739 1222 1 4 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.108 0.068 19739 1223 1 4 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.409 0.908 19739 1224 1 4 . 1 1 34 34 LEU H H 34 8.519 8.519 8.482 0.037 19739 1225 1 4 . 1 1 35 35 VAL N N 35 124.430 124.430 122.948 1.482 19739 1226 1 4 . 1 1 35 35 VAL HA H 35 5.000 5.000 4.642 0.358 19739 1227 1 4 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.427 -1.020 19739 1228 1 4 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.569 0.946 19739 1229 1 4 . 1 1 35 35 VAL H H 35 8.066 8.066 8.264 -0.198 19739 1230 1 4 . 1 1 36 36 LEU N N 36 126.670 126.670 129.958 -3.288 19739 1231 1 4 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.834 -0.444 19739 1232 1 4 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.638 -1.476 19739 1233 1 4 . 1 1 36 36 LEU H H 36 8.883 8.883 8.931 -0.048 19739 1234 1 4 . 1 1 37 37 LYS N N 37 121.220 121.220 120.797 0.423 19739 1235 1 4 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.960 -0.424 19739 1236 1 4 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.816 0.850 19739 1237 1 4 . 1 1 37 37 LYS CB C 37 33.609 33.609 34.004 -0.395 19739 1238 1 4 . 1 1 37 37 LYS H H 37 8.399 8.399 8.343 0.056 19739 1239 1 4 . 1 1 38 38 CYS N N 38 126.370 126.370 124.981 1.389 19739 1240 1 4 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.877 -0.184 19739 1241 1 4 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.500 -2.067 19739 1242 1 4 . 1 1 38 38 CYS CB C 38 44.031 44.031 28.227 15.804 19739 1243 1 4 . 1 1 38 38 CYS H H 38 8.878 8.878 8.696 0.182 19739 1244 1 4 . 1 1 39 39 LYS N N 39 126.170 126.170 126.864 -0.694 19739 1245 1 4 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.422 -0.528 19739 1246 1 4 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.190 2.427 19739 1247 1 4 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.254 -1.287 19739 1248 1 4 . 1 1 39 39 LYS H H 39 7.686 7.686 8.572 -0.886 19739 1249 1 4 . 1 1 40 40 GLY N N 40 108.770 108.770 105.192 3.578 19739 1250 1 4 . 1 1 40 40 GLY CA C 40 45.092 45.092 44.768 0.324 19739 1251 1 4 . 1 1 40 40 GLY H H 40 8.228 8.228 8.552 -0.324 19739 1252 1 4 . 1 1 41 41 ALA N N 41 122.190 122.190 125.133 -2.943 19739 1253 1 4 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.638 -0.296 19739 1254 1 4 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.594 -0.627 19739 1255 1 4 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.663 -0.764 19739 1256 1 4 . 1 1 41 41 ALA H H 41 7.403 7.403 8.135 -0.732 19739 1257 1 4 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.579 -0.055 19739 1258 1 4 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.876 1.063 19739 1259 1 4 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.713 0.026 19739 1260 1 4 . 1 1 43 43 LYS N N 43 118.900 118.900 120.210 -1.310 19739 1261 1 4 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.256 -0.148 19739 1262 1 4 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.583 1.286 19739 1263 1 4 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.829 2.394 19739 1264 1 4 . 1 1 43 43 LYS H H 43 8.447 8.447 8.483 -0.036 19739 1265 1 4 . 1 1 44 44 LYS N N 44 115.950 115.950 120.717 -4.767 19739 1266 1 4 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.653 -0.032 19739 1267 1 4 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.515 -0.529 19739 1268 1 4 . 1 1 44 44 LYS H H 44 7.377 7.377 7.770 -0.393 19739 1269 1 4 . 1 1 46 46 PRO CB C 46 34.657 34.657 31.678 2.979 19739 1270 1 4 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.739 -0.381 19739 1271 1 4 . 1 1 47 47 GLN CA C 47 55.007 55.007 53.849 1.158 19739 1272 1 4 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.888 1.812 19739 1273 1 4 . 1 1 48 48 ARG N N 48 125.070 125.070 119.937 5.133 19739 1274 1 4 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.314 -0.200 19739 1275 1 4 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.122 -10.532 19739 1276 1 4 . 1 1 48 48 ARG CB C 48 29.500 29.500 31.007 -1.507 19739 1277 1 4 . 1 1 48 48 ARG H H 48 9.071 9.071 8.631 0.440 19739 1278 1 4 . 1 1 49 49 LEU N N 49 121.150 121.150 124.824 -3.674 19739 1279 1 4 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.710 0.555 19739 1280 1 4 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.089 0.220 19739 1281 1 4 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.206 0.642 19739 1282 1 4 . 1 1 49 49 LEU H H 49 7.798 7.798 8.491 -0.693 19739 1283 1 4 . 1 1 50 50 GLU N N 50 120.200 120.200 127.365 -7.165 19739 1284 1 4 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.392 0.343 19739 1285 1 4 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.764 0.183 19739 1286 1 4 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.554 5.683 19739 1287 1 4 . 1 1 50 50 GLU H H 50 8.380 8.380 8.505 -0.125 19739 1288 1 4 . 1 1 51 51 TRP N N 51 125.560 125.560 125.391 0.169 19739 1289 1 4 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.336 1.166 19739 1290 1 4 . 1 1 51 51 TRP CA C 51 56.720 56.720 60.129 -3.409 19739 1291 1 4 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.069 2.451 19739 1292 1 4 . 1 1 51 51 TRP H H 51 9.161 9.161 8.109 1.052 19739 1293 1 4 . 1 1 52 52 LYS N N 52 120.150 120.150 123.518 -3.368 19739 1294 1 4 . 1 1 52 52 LYS HA H 52 5.572 5.572 5.021 0.551 19739 1295 1 4 . 1 1 52 52 LYS CA C 52 54.956 54.956 55.066 -0.110 19739 1296 1 4 . 1 1 52 52 LYS CB C 52 36.900 36.900 37.137 -0.237 19739 1297 1 4 . 1 1 52 52 LYS H H 52 9.775 9.775 7.909 1.866 19739 1298 1 4 . 1 1 53 53 LEU N N 53 122.450 122.450 114.073 8.377 19739 1299 1 4 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.846 0.520 19739 1300 1 4 . 1 1 53 53 LEU CA C 53 54.321 54.321 54.325 -0.004 19739 1301 1 4 . 1 1 53 53 LEU H H 53 9.238 9.238 7.862 1.376 19739 1302 1 4 . 1 1 54 54 ASN N N 54 123.200 123.200 120.276 2.924 19739 1303 1 4 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.890 -0.113 19739 1304 1 4 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.679 1.262 19739 1305 1 4 . 1 1 54 54 ASN H H 54 8.913 8.913 8.743 0.170 19739 1306 1 4 . 1 1 55 55 THR N N 55 112.570 112.570 120.245 -7.675 19739 1307 1 4 . 1 1 55 55 THR HA H 55 5.063 5.063 4.481 0.582 19739 1308 1 4 . 1 1 55 55 THR CA C 55 68.927 68.927 61.236 7.691 19739 1309 1 4 . 1 1 55 55 THR H H 55 8.074 8.074 7.971 0.103 19739 1310 1 4 . 1 1 56 56 GLY N N 56 108.640 108.640 108.826 -0.186 19739 1311 1 4 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.350 1.951 19739 1312 1 4 . 1 1 56 56 GLY H H 56 7.982 7.982 8.596 -0.614 19739 1313 1 4 . 1 1 57 57 ARG N N 57 116.810 116.810 119.828 -3.018 19739 1314 1 4 . 1 1 57 57 ARG H H 57 7.955 7.955 8.091 -0.136 19739 1315 1 4 . 1 1 58 58 THR N N 58 108.470 108.470 111.774 -3.304 19739 1316 1 4 . 1 1 58 58 THR HA H 58 4.495 4.495 4.142 0.353 19739 1317 1 4 . 1 1 58 58 THR CA C 58 61.154 61.154 62.702 -1.548 19739 1318 1 4 . 1 1 58 58 THR CB C 58 70.200 70.200 67.974 2.226 19739 1319 1 4 . 1 1 58 58 THR H H 58 7.284 7.284 8.405 -1.121 19739 1320 1 4 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.204 -0.098 19739 1321 1 4 . 1 1 59 59 GLU CA C 59 57.300 57.300 59.089 -1.788 19739 1322 1 4 . 1 1 60 60 ALA N N 60 120.840 120.840 123.190 -2.350 19739 1323 1 4 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.604 -0.535 19739 1324 1 4 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.375 0.316 19739 1325 1 4 . 1 1 60 60 ALA CB C 60 19.620 19.620 18.052 1.568 19739 1326 1 4 . 1 1 60 60 ALA H H 60 7.887 7.887 8.497 -0.610 19739 1327 1 4 . 1 1 61 61 TRP N N 61 118.780 118.780 121.227 -2.447 19739 1328 1 4 . 1 1 61 61 TRP HA H 61 4.101 4.101 5.012 -0.911 19739 1329 1 4 . 1 1 61 61 TRP CA C 61 58.270 58.270 57.073 1.197 19739 1330 1 4 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.159 -1.700 19739 1331 1 4 . 1 1 61 61 TRP H H 61 7.621 7.621 7.871 -0.250 19739 1332 1 4 . 1 1 62 62 LYS N N 62 124.070 124.070 125.286 -1.216 19739 1333 1 4 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.868 0.937 19739 1334 1 4 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.263 -1.161 19739 1335 1 4 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.030 -2.006 19739 1336 1 4 . 1 1 62 62 LYS H H 62 9.201 9.201 8.006 1.195 19739 1337 1 4 . 1 1 63 63 VAL N N 63 120.380 120.380 122.846 -2.466 19739 1338 1 4 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.741 1.290 19739 1339 1 4 . 1 1 63 63 VAL CA C 63 60.337 60.337 62.337 -2.000 19739 1340 1 4 . 1 1 63 63 VAL CB C 63 33.710 33.710 32.190 1.520 19739 1341 1 4 . 1 1 63 63 VAL H H 63 9.268 9.268 7.899 1.369 19739 1342 1 4 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.451 0.199 19739 1343 1 4 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.251 0.725 19739 1344 1 4 . 1 1 64 64 LEU CB C 64 43.868 43.868 43.754 0.114 19739 1345 1 4 . 1 1 65 65 SER N N 65 117.960 117.960 114.714 3.246 19739 1346 1 4 . 1 1 65 65 SER HA H 65 5.092 5.092 4.888 0.204 19739 1347 1 4 . 1 1 65 65 SER CA C 65 55.790 55.790 55.150 0.640 19739 1348 1 4 . 1 1 65 65 SER CB C 65 64.408 64.408 65.004 -0.596 19739 1349 1 4 . 1 1 65 65 SER H H 65 8.654 8.654 8.022 0.632 19739 1350 1 4 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.399 -0.050 19739 1351 1 4 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.559 -0.008 19739 1352 1 4 . 1 1 67 67 GLN N N 67 116.960 116.960 116.580 0.380 19739 1353 1 4 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.594 -0.260 19739 1354 1 4 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.099 1.504 19739 1355 1 4 . 1 1 67 67 GLN CB C 67 28.733 28.733 29.361 -0.628 19739 1356 1 4 . 1 1 67 67 GLN H H 67 8.212 8.212 7.874 0.338 19739 1357 1 4 . 1 1 68 68 GLY N N 68 108.700 108.700 107.824 0.876 19739 1358 1 4 . 1 1 68 68 GLY CA C 68 45.764 45.764 45.281 0.483 19739 1359 1 4 . 1 1 68 68 GLY H H 68 8.069 8.069 7.470 0.599 19739 1360 1 4 . 1 1 69 69 GLY N N 69 109.370 109.370 107.963 1.407 19739 1361 1 4 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.593 0.460 19739 1362 1 4 . 1 1 69 69 GLY H H 69 8.354 8.354 8.658 -0.304 19739 1363 1 4 . 1 1 70 70 GLY N N 70 109.700 109.700 107.559 2.141 19739 1364 1 4 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.771 0.307 19739 1365 1 4 . 1 1 70 70 GLY H H 70 8.428 8.428 7.872 0.556 19739 1366 1 4 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.425 -0.065 19739 1367 1 4 . 1 1 71 71 PRO CA C 71 64.324 64.324 63.855 0.469 19739 1368 1 4 . 1 1 71 71 PRO CB C 71 32.100 32.100 32.067 0.033 19739 1369 1 4 . 1 1 72 72 TRP N N 72 118.420 118.420 118.884 -0.464 19739 1370 1 4 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.508 -0.110 19739 1371 1 4 . 1 1 72 72 TRP CA C 72 59.360 59.360 59.178 0.182 19739 1372 1 4 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.997 -1.327 19739 1373 1 4 . 1 1 72 72 TRP H H 72 8.204 8.204 7.821 0.383 19739 1374 1 4 . 1 1 73 73 ASP N N 73 119.400 119.400 119.327 0.073 19739 1375 1 4 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.711 -0.286 19739 1376 1 4 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.457 0.589 19739 1377 1 4 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.974 -0.353 19739 1378 1 4 . 1 1 73 73 ASP H H 73 7.686 7.686 7.852 -0.166 19739 1379 1 4 . 1 1 74 74 SER N N 74 110.610 110.610 114.529 -3.919 19739 1380 1 4 . 1 1 74 74 SER HA H 74 4.250 4.250 4.328 -0.078 19739 1381 1 4 . 1 1 74 74 SER CA C 74 59.125 59.125 60.313 -1.188 19739 1382 1 4 . 1 1 74 74 SER H H 74 7.563 7.563 7.990 -0.427 19739 1383 1 4 . 1 1 75 75 VAL N N 75 119.230 119.230 120.063 -0.833 19739 1384 1 4 . 1 1 75 75 VAL HA H 75 3.799 3.799 4.058 -0.259 19739 1385 1 4 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.605 1.052 19739 1386 1 4 . 1 1 75 75 VAL H H 75 7.740 7.740 7.328 0.412 19739 1387 1 4 . 1 1 76 76 ALA N N 76 120.240 120.240 120.519 -0.279 19739 1388 1 4 . 1 1 76 76 ALA CA C 76 51.869 51.869 50.088 1.781 19739 1389 1 4 . 1 1 76 76 ALA H H 76 7.994 7.994 7.872 0.122 19739 1390 1 4 . 1 1 77 77 ARG N N 77 119.730 119.730 122.565 -2.835 19739 1391 1 4 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.720 0.192 19739 1392 1 4 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.729 -2.048 19739 1393 1 4 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.270 -11.565 19739 1394 1 4 . 1 1 77 77 ARG H H 77 8.796 8.796 8.569 0.227 19739 1395 1 4 . 1 1 78 78 VAL N N 78 123.460 123.460 125.358 -1.898 19739 1396 1 4 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.497 -0.146 19739 1397 1 4 . 1 1 78 78 VAL CA C 78 62.220 62.220 62.187 0.034 19739 1398 1 4 . 1 1 78 78 VAL H H 78 8.583 8.583 8.557 0.026 19739 1399 1 4 . 1 1 79 79 LEU N N 79 128.990 128.990 130.308 -1.318 19739 1400 1 4 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.860 1.952 19739 1401 1 4 . 1 1 79 79 LEU H H 79 9.319 9.319 9.118 0.201 19739 1402 1 4 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.267 0.130 19739 1403 1 4 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.195 -1.684 19739 1404 1 4 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.744 -0.044 19739 1405 1 4 . 1 1 81 81 ASN N N 81 109.840 109.840 114.516 -4.676 19739 1406 1 4 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.655 -0.082 19739 1407 1 4 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.849 -0.684 19739 1408 1 4 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.861 -0.661 19739 1409 1 4 . 1 1 81 81 ASN H H 81 7.297 7.297 8.230 -0.933 19739 1410 1 4 . 1 1 82 82 GLY N N 82 108.850 108.850 108.703 0.147 19739 1411 1 4 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.113 0.642 19739 1412 1 4 . 1 1 82 82 GLY H H 82 8.579 8.579 8.477 0.102 19739 1413 1 4 . 1 1 83 83 SER N N 83 115.150 115.150 117.729 -2.579 19739 1414 1 4 . 1 1 83 83 SER HA H 83 4.824 4.824 5.228 -0.404 19739 1415 1 4 . 1 1 83 83 SER CA C 83 60.327 60.327 58.497 1.830 19739 1416 1 4 . 1 1 83 83 SER H H 83 7.775 7.775 8.172 -0.397 19739 1417 1 4 . 1 1 84 84 LEU N N 84 123.650 123.650 127.401 -3.751 19739 1418 1 4 . 1 1 84 84 LEU HA H 84 4.279 4.279 4.816 -0.537 19739 1419 1 4 . 1 1 84 84 LEU CA C 84 53.621 53.621 54.194 -0.573 19739 1420 1 4 . 1 1 84 84 LEU CB C 84 42.079 42.079 44.229 -2.150 19739 1421 1 4 . 1 1 84 84 LEU H H 84 8.781 8.781 9.169 -0.388 19739 1422 1 4 . 1 1 85 85 PHE N N 85 126.120 126.120 127.859 -1.739 19739 1423 1 4 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.252 0.116 19739 1424 1 4 . 1 1 85 85 PHE CA C 85 54.193 54.193 56.010 -1.817 19739 1425 1 4 . 1 1 85 85 PHE CB C 85 46.443 46.443 42.073 4.370 19739 1426 1 4 . 1 1 85 85 PHE H H 85 8.991 8.991 9.388 -0.397 19739 1427 1 4 . 1 1 86 86 LEU N N 86 129.500 129.500 128.788 0.712 19739 1428 1 4 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.555 2.609 19739 1429 1 4 . 1 1 86 86 LEU H H 86 8.682 8.682 8.669 0.013 19739 1430 1 4 . 1 1 87 87 PRO HA H 87 3.409 3.409 4.311 -0.902 19739 1431 1 4 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.676 -0.575 19739 1432 1 4 . 1 1 87 87 PRO CB C 87 32.044 32.044 32.003 0.041 19739 1433 1 4 . 1 1 88 88 ALA N N 88 115.010 115.010 118.597 -3.587 19739 1434 1 4 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.415 -0.807 19739 1435 1 4 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.314 0.313 19739 1436 1 4 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.460 -1.560 19739 1437 1 4 . 1 1 88 88 ALA H H 88 7.151 7.151 7.705 -0.554 19739 1438 1 4 . 1 1 89 89 VAL N N 89 124.890 124.890 125.662 -0.772 19739 1439 1 4 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.218 -0.424 19739 1440 1 4 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.848 1.311 19739 1441 1 4 . 1 1 89 89 VAL CB C 89 31.904 31.904 32.038 -0.134 19739 1442 1 4 . 1 1 89 89 VAL H H 89 8.066 8.066 8.336 -0.270 19739 1443 1 4 . 1 1 90 90 GLY N N 90 116.780 116.780 115.612 1.168 19739 1444 1 4 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.396 -0.903 19739 1445 1 4 . 1 1 90 90 GLY H H 90 9.715 9.715 9.463 0.252 19739 1446 1 4 . 1 1 91 91 ILE N N 91 118.490 118.490 113.683 4.807 19739 1447 1 4 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.540 -0.738 19739 1448 1 4 . 1 1 91 91 ILE CA C 91 63.781 63.781 61.721 2.060 19739 1449 1 4 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.656 -0.256 19739 1450 1 4 . 1 1 91 91 ILE H H 91 8.596 8.596 8.045 0.551 19739 1451 1 4 . 1 1 92 92 GLN N N 92 116.720 116.720 119.246 -2.526 19739 1452 1 4 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.104 -0.873 19739 1453 1 4 . 1 1 92 92 GLN H H 92 8.682 8.682 8.314 0.368 19739 1454 1 4 . 1 1 93 93 ASP N N 93 115.890 115.890 117.020 -1.130 19739 1455 1 4 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.902 -0.271 19739 1456 1 4 . 1 1 93 93 ASP CA C 93 55.709 55.709 53.885 1.825 19739 1457 1 4 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.153 1.747 19739 1458 1 4 . 1 1 93 93 ASP H H 93 7.644 7.644 8.401 -0.757 19739 1459 1 4 . 1 1 94 94 GLU N N 94 112.880 112.880 119.341 -6.461 19739 1460 1 4 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.102 -0.011 19739 1461 1 4 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.519 1.207 19739 1462 1 4 . 1 1 94 94 GLU CB C 94 30.544 30.544 30.982 -0.438 19739 1463 1 4 . 1 1 94 94 GLU H H 94 6.666 6.666 7.440 -0.774 19739 1464 1 4 . 1 1 95 95 GLY N N 95 109.750 109.750 109.746 0.004 19739 1465 1 4 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.672 0.386 19739 1466 1 4 . 1 1 95 95 GLY H H 95 8.024 8.024 8.196 -0.172 19739 1467 1 4 . 1 1 96 96 ILE N N 96 119.990 119.990 121.072 -1.082 19739 1468 1 4 . 1 1 96 96 ILE HA H 96 5.361 5.361 5.019 0.342 19739 1469 1 4 . 1 1 96 96 ILE CA C 96 59.635 59.635 59.945 -0.310 19739 1470 1 4 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.430 1.870 19739 1471 1 4 . 1 1 96 96 ILE H H 96 7.658 7.658 7.755 -0.097 19739 1472 1 4 . 1 1 97 97 PHE N N 97 124.050 124.050 127.089 -3.039 19739 1473 1 4 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.476 0.836 19739 1474 1 4 . 1 1 97 97 PHE CA C 97 56.466 56.466 57.046 -0.580 19739 1475 1 4 . 1 1 97 97 PHE CB C 97 43.544 43.544 39.931 3.613 19739 1476 1 4 . 1 1 97 97 PHE H H 97 9.194 9.194 8.384 0.810 19739 1477 1 4 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.184 0.558 19739 1478 1 4 . 1 1 98 98 ARG CA C 98 54.501 54.501 54.803 -0.302 19739 1479 1 4 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.372 2.911 19739 1480 1 4 . 1 1 99 99 CYS N N 99 121.320 121.320 125.552 -4.232 19739 1481 1 4 . 1 1 99 99 CYS HA H 99 4.905 4.905 3.948 0.957 19739 1482 1 4 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.664 -5.465 19739 1483 1 4 . 1 1 99 99 CYS H H 99 8.625 8.625 8.580 0.045 19739 1484 1 4 . 1 1 100 100 GLN N N 100 127.220 127.220 124.598 2.622 19739 1485 1 4 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.509 0.333 19739 1486 1 4 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.933 -1.333 19739 1487 1 4 . 1 1 100 100 GLN H H 100 8.390 8.390 8.069 0.321 19739 1488 1 4 . 1 1 101 101 ALA N N 101 126.770 126.770 125.869 0.901 19739 1489 1 4 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.559 -0.284 19739 1490 1 4 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.659 -0.107 19739 1491 1 4 . 1 1 101 101 ALA CB C 101 22.877 22.877 22.073 0.804 19739 1492 1 4 . 1 1 101 101 ALA H H 101 8.623 8.623 8.471 0.152 19739 1493 1 4 . 1 1 102 102 MET N N 102 119.560 119.560 121.162 -1.602 19739 1494 1 4 . 1 1 102 102 MET HA H 102 4.959 4.959 5.276 -0.317 19739 1495 1 4 . 1 1 102 102 MET CA C 102 54.225 54.225 53.922 0.303 19739 1496 1 4 . 1 1 102 102 MET H H 102 8.085 8.085 8.061 0.024 19739 1497 1 4 . 1 1 103 103 ASN N N 103 122.280 122.280 123.500 -1.220 19739 1498 1 4 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.834 0.022 19739 1499 1 4 . 1 1 103 103 ASN CA C 103 51.585 51.585 51.980 -0.395 19739 1500 1 4 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.848 -1.369 19739 1501 1 4 . 1 1 103 103 ASN H H 103 8.370 8.370 8.276 0.094 19739 1502 1 4 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.208 -0.098 19739 1503 1 4 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.602 0.031 19739 1504 1 4 . 1 1 104 104 ARG CB C 104 29.675 29.675 29.907 -0.232 19739 1505 1 4 . 1 1 105 105 ASN N N 105 115.430 115.430 115.629 -0.199 19739 1506 1 4 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.810 -0.023 19739 1507 1 4 . 1 1 105 105 ASN CA C 105 52.846 52.846 52.905 -0.059 19739 1508 1 4 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.655 0.145 19739 1509 1 4 . 1 1 105 105 ASN H H 105 7.922 7.922 7.702 0.220 19739 1510 1 4 . 1 1 106 106 GLY N N 106 107.550 107.550 108.408 -0.858 19739 1511 1 4 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.296 0.624 19739 1512 1 4 . 1 1 106 106 GLY H H 106 8.036 8.036 8.006 0.030 19739 1513 1 4 . 1 1 107 107 LYS N N 107 119.970 119.970 121.043 -1.073 19739 1514 1 4 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.162 -0.152 19739 1515 1 4 . 1 1 107 107 LYS H H 107 7.716 7.716 7.584 0.132 19739 1516 1 4 . 1 1 108 108 GLU N N 108 125.660 125.660 124.780 0.880 19739 1517 1 4 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.462 -0.472 19739 1518 1 4 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.710 0.814 19739 1519 1 4 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.291 -0.211 19739 1520 1 4 . 1 1 108 108 GLU H H 108 8.706 8.706 8.635 0.071 19739 1521 1 4 . 1 1 109 109 THR N N 109 121.300 121.300 112.242 9.058 19739 1522 1 4 . 1 1 109 109 THR HA H 109 4.485 4.485 4.396 0.089 19739 1523 1 4 . 1 1 109 109 THR CA C 109 62.448 62.448 61.474 0.974 19739 1524 1 4 . 1 1 109 109 THR CB C 109 70.670 70.670 70.746 -0.076 19739 1525 1 4 . 1 1 109 109 THR H H 109 9.059 9.059 8.230 0.829 19739 1526 1 4 . 1 1 110 110 LYS N N 110 127.017 127.017 126.806 0.211 19739 1527 1 4 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.504 -0.041 19739 1528 1 4 . 1 1 110 110 LYS H H 110 8.776 8.776 8.382 0.394 19739 1529 1 4 . 1 1 111 111 SER HA H 111 4.628 4.628 4.494 0.134 19739 1530 1 4 . 1 1 111 111 SER CA C 111 65.621 65.621 57.351 8.270 19739 1531 1 4 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.587 -1.055 19739 1532 1 4 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.641 3.727 19739 1533 1 4 . 1 1 113 113 TYR N N 113 121.350 121.350 121.296 0.054 19739 1534 1 4 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.741 0.855 19739 1535 1 4 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.151 -0.430 19739 1536 1 4 . 1 1 113 113 TYR H H 113 9.582 9.582 9.043 0.539 19739 1537 1 4 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.828 0.435 19739 1538 1 4 . 1 1 114 114 ARG CA C 114 53.811 53.811 55.044 -1.233 19739 1539 1 4 . 1 1 115 115 VAL N N 115 128.860 128.860 126.630 2.230 19739 1540 1 4 . 1 1 115 115 VAL CA C 115 62.112 62.112 60.768 1.344 19739 1541 1 4 . 1 1 115 115 VAL CB C 115 33.829 33.829 32.845 0.984 19739 1542 1 4 . 1 1 115 115 VAL H H 115 9.299 9.299 8.761 0.538 19739 1543 1 4 . 1 1 116 116 ARG N N 116 128.100 128.100 126.666 1.434 19739 1544 1 4 . 1 1 116 116 ARG HA H 116 4.945 4.945 5.176 -0.231 19739 1545 1 4 . 1 1 116 116 ARG CA C 116 54.221 54.221 54.212 0.009 19739 1546 1 4 . 1 1 116 116 ARG CB C 116 34.017 34.017 34.472 -0.455 19739 1547 1 4 . 1 1 116 116 ARG H H 116 8.728 8.728 8.958 -0.230 19739 1548 1 4 . 1 1 117 117 VAL N N 117 120.340 120.340 120.756 -0.416 19739 1549 1 4 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.922 0.097 19739 1550 1 4 . 1 1 117 117 VAL CA C 117 60.524 60.524 59.942 0.582 19739 1551 1 4 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.213 -0.568 19739 1552 1 4 . 1 1 117 117 VAL H H 117 9.226 9.226 9.081 0.145 19739 1553 1 4 . 1 1 118 118 TYR N N 118 122.880 122.880 119.091 3.789 19739 1554 1 4 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.377 0.373 19739 1555 1 4 . 1 1 118 118 TYR CA C 118 56.857 56.857 61.085 -4.228 19739 1556 1 4 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.971 2.120 19739 1557 1 4 . 1 1 118 118 TYR H H 118 8.668 8.668 8.072 0.596 19739 1558 1 4 . 1 1 119 119 GLN N N 119 121.740 121.740 119.629 2.111 19739 1559 1 4 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.457 -0.109 19739 1560 1 4 . 1 1 119 119 GLN CA C 119 54.957 54.957 54.960 -0.003 19739 1561 1 4 . 1 1 119 119 GLN CB C 119 30.303 30.303 27.710 2.593 19739 1562 1 4 . 1 1 119 119 GLN H H 119 8.351 8.351 8.143 0.208 19739 1563 1 4 . 1 1 120 120 ILE N N 120 123.720 123.720 120.300 3.420 19739 1564 1 4 . 1 1 120 120 ILE H H 120 8.034 8.034 7.801 0.233 19739 1565 1 5 . 1 1 24 24 GLN N N 24 121.380 121.380 120.962 0.418 19739 1566 1 5 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.461 0.033 19739 1567 1 5 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.435 0.531 19739 1568 1 5 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.999 0.136 19739 1569 1 5 . 1 1 24 24 GLN H H 24 8.313 8.313 8.360 -0.047 19739 1570 1 5 . 1 1 25 25 ASN N N 25 125.370 125.370 120.877 4.493 19739 1571 1 5 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.669 -0.299 19739 1572 1 5 . 1 1 25 25 ASN CA C 25 53.735 53.735 52.669 1.065 19739 1573 1 5 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.700 -0.345 19739 1574 1 5 . 1 1 25 25 ASN H H 25 8.962 8.962 8.670 0.292 19739 1575 1 5 . 1 1 26 26 ILE N N 26 126.350 126.350 125.814 0.536 19739 1576 1 5 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.508 0.048 19739 1577 1 5 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.478 -2.025 19739 1578 1 5 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.214 -1.277 19739 1579 1 5 . 1 1 26 26 ILE H H 26 9.208 9.208 9.151 0.057 19739 1580 1 5 . 1 1 27 27 THR N N 27 122.550 122.550 120.914 1.636 19739 1581 1 5 . 1 1 27 27 THR HA H 27 5.144 5.144 5.295 -0.151 19739 1582 1 5 . 1 1 27 27 THR CA C 27 60.949 60.949 60.746 0.203 19739 1583 1 5 . 1 1 27 27 THR CB C 27 69.931 69.931 69.658 0.273 19739 1584 1 5 . 1 1 27 27 THR H H 27 8.652 8.652 8.472 0.180 19739 1585 1 5 . 1 1 28 28 ALA N N 28 129.260 129.260 127.395 1.865 19739 1586 1 5 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.419 0.251 19739 1587 1 5 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.335 -0.101 19739 1588 1 5 . 1 1 28 28 ALA CB C 28 23.241 23.241 21.975 1.266 19739 1589 1 5 . 1 1 28 28 ALA H H 28 8.965 8.965 8.752 0.213 19739 1590 1 5 . 1 1 29 29 ARG N N 29 120.870 120.870 118.835 2.035 19739 1591 1 5 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.597 -0.248 19739 1592 1 5 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.143 0.895 19739 1593 1 5 . 1 1 29 29 ARG CB C 29 31.464 31.464 32.852 -1.388 19739 1594 1 5 . 1 1 29 29 ARG H H 29 8.248 8.248 8.514 -0.266 19739 1595 1 5 . 1 1 30 30 ILE N N 30 122.830 122.830 120.929 1.901 19739 1596 1 5 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.431 -0.915 19739 1597 1 5 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.749 1.090 19739 1598 1 5 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.385 0.914 19739 1599 1 5 . 1 1 30 30 ILE H H 30 8.173 8.173 8.562 -0.389 19739 1600 1 5 . 1 1 31 31 GLY N N 31 114.180 114.180 114.328 -0.148 19739 1601 1 5 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.995 -0.202 19739 1602 1 5 . 1 1 31 31 GLY H H 31 9.525 9.525 9.111 0.414 19739 1603 1 5 . 1 1 32 32 GLU N N 32 120.550 120.550 120.915 -0.365 19739 1604 1 5 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.814 -0.035 19739 1605 1 5 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.330 2.893 19739 1606 1 5 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.477 -1.525 19739 1607 1 5 . 1 1 32 32 GLU H H 32 7.634 7.634 7.529 0.105 19739 1608 1 5 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.156 -0.593 19739 1609 1 5 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.603 -0.662 19739 1610 1 5 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.481 0.419 19739 1611 1 5 . 1 1 34 34 LEU N N 34 121.680 121.680 125.937 -4.257 19739 1612 1 5 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.766 -0.238 19739 1613 1 5 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.645 -0.469 19739 1614 1 5 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.850 0.467 19739 1615 1 5 . 1 1 34 34 LEU H H 34 8.519 8.519 8.556 -0.037 19739 1616 1 5 . 1 1 35 35 VAL N N 35 124.430 124.430 122.837 1.593 19739 1617 1 5 . 1 1 35 35 VAL HA H 35 5.000 5.000 5.164 -0.164 19739 1618 1 5 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.054 -0.647 19739 1619 1 5 . 1 1 35 35 VAL CB C 35 33.515 33.515 33.359 0.156 19739 1620 1 5 . 1 1 35 35 VAL H H 35 8.066 8.066 8.329 -0.263 19739 1621 1 5 . 1 1 36 36 LEU N N 36 126.670 126.670 129.405 -2.735 19739 1622 1 5 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.781 -0.391 19739 1623 1 5 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.317 -1.155 19739 1624 1 5 . 1 1 36 36 LEU H H 36 8.883 8.883 8.834 0.049 19739 1625 1 5 . 1 1 37 37 LYS N N 37 121.220 121.220 120.937 0.283 19739 1626 1 5 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.835 -0.299 19739 1627 1 5 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.806 0.860 19739 1628 1 5 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.291 0.318 19739 1629 1 5 . 1 1 37 37 LYS H H 37 8.399 8.399 8.338 0.061 19739 1630 1 5 . 1 1 38 38 CYS N N 38 126.370 126.370 125.783 0.587 19739 1631 1 5 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.849 -0.157 19739 1632 1 5 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.161 -1.728 19739 1633 1 5 . 1 1 38 38 CYS CB C 38 44.031 44.031 27.223 16.808 19739 1634 1 5 . 1 1 38 38 CYS H H 38 8.878 8.878 8.754 0.124 19739 1635 1 5 . 1 1 39 39 LYS N N 39 126.170 126.170 127.220 -1.050 19739 1636 1 5 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.350 -0.456 19739 1637 1 5 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.276 2.341 19739 1638 1 5 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.147 -1.179 19739 1639 1 5 . 1 1 39 39 LYS H H 39 7.686 7.686 8.532 -0.846 19739 1640 1 5 . 1 1 40 40 GLY N N 40 108.770 108.770 105.569 3.201 19739 1641 1 5 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.157 -0.065 19739 1642 1 5 . 1 1 40 40 GLY H H 40 8.228 8.228 8.520 -0.292 19739 1643 1 5 . 1 1 41 41 ALA N N 41 122.190 122.190 125.216 -3.026 19739 1644 1 5 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.664 -0.322 19739 1645 1 5 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.532 -0.565 19739 1646 1 5 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.549 -0.650 19739 1647 1 5 . 1 1 41 41 ALA H H 41 7.403 7.403 8.105 -0.702 19739 1648 1 5 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.561 -0.037 19739 1649 1 5 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.941 0.998 19739 1650 1 5 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.645 0.094 19739 1651 1 5 . 1 1 43 43 LYS N N 43 118.900 118.900 120.153 -1.253 19739 1652 1 5 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.258 -0.150 19739 1653 1 5 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.506 1.363 19739 1654 1 5 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.723 2.501 19739 1655 1 5 . 1 1 43 43 LYS H H 43 8.447 8.447 8.454 -0.007 19739 1656 1 5 . 1 1 44 44 LYS N N 44 115.950 115.950 121.139 -5.189 19739 1657 1 5 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.669 -0.048 19739 1658 1 5 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.629 -0.643 19739 1659 1 5 . 1 1 44 44 LYS H H 44 7.377 7.377 7.739 -0.362 19739 1660 1 5 . 1 1 46 46 PRO CB C 46 34.657 34.657 31.708 2.949 19739 1661 1 5 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.627 -0.269 19739 1662 1 5 . 1 1 47 47 GLN CA C 47 55.007 55.007 53.982 1.025 19739 1663 1 5 . 1 1 47 47 GLN CB C 47 32.700 32.700 31.017 1.683 19739 1664 1 5 . 1 1 48 48 ARG N N 48 125.070 125.070 120.591 4.479 19739 1665 1 5 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.310 -0.196 19739 1666 1 5 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.726 -11.136 19739 1667 1 5 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.772 -1.272 19739 1668 1 5 . 1 1 48 48 ARG H H 48 9.071 9.071 8.562 0.509 19739 1669 1 5 . 1 1 49 49 LEU N N 49 121.150 121.150 127.574 -6.424 19739 1670 1 5 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.714 0.551 19739 1671 1 5 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.267 0.042 19739 1672 1 5 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.676 0.172 19739 1673 1 5 . 1 1 49 49 LEU H H 49 7.798 7.798 8.907 -1.109 19739 1674 1 5 . 1 1 50 50 GLU N N 50 120.200 120.200 126.355 -6.155 19739 1675 1 5 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.533 0.202 19739 1676 1 5 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.077 0.870 19739 1677 1 5 . 1 1 50 50 GLU CB C 50 34.237 34.237 29.023 5.214 19739 1678 1 5 . 1 1 50 50 GLU H H 50 8.380 8.380 8.461 -0.081 19739 1679 1 5 . 1 1 51 51 TRP N N 51 125.560 125.560 128.681 -3.121 19739 1680 1 5 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.405 1.097 19739 1681 1 5 . 1 1 51 51 TRP CA C 51 56.720 56.720 60.002 -3.281 19739 1682 1 5 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.119 2.401 19739 1683 1 5 . 1 1 51 51 TRP H H 51 9.161 9.161 8.083 1.078 19739 1684 1 5 . 1 1 52 52 LYS N N 52 120.150 120.150 124.296 -4.146 19739 1685 1 5 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.886 0.686 19739 1686 1 5 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.532 0.424 19739 1687 1 5 . 1 1 52 52 LYS CB C 52 36.900 36.900 37.172 -0.272 19739 1688 1 5 . 1 1 52 52 LYS H H 52 9.775 9.775 7.959 1.816 19739 1689 1 5 . 1 1 53 53 LEU N N 53 122.450 122.450 113.579 8.871 19739 1690 1 5 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.662 0.704 19739 1691 1 5 . 1 1 53 53 LEU CA C 53 54.321 54.321 54.041 0.280 19739 1692 1 5 . 1 1 53 53 LEU H H 53 9.238 9.238 7.759 1.479 19739 1693 1 5 . 1 1 54 54 ASN N N 54 123.200 123.200 119.529 3.671 19739 1694 1 5 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.873 -0.096 19739 1695 1 5 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.827 1.114 19739 1696 1 5 . 1 1 54 54 ASN H H 54 8.913 8.913 8.671 0.242 19739 1697 1 5 . 1 1 55 55 THR N N 55 112.570 112.570 116.814 -4.244 19739 1698 1 5 . 1 1 55 55 THR HA H 55 5.063 5.063 4.557 0.506 19739 1699 1 5 . 1 1 55 55 THR CA C 55 68.927 68.927 60.717 8.210 19739 1700 1 5 . 1 1 55 55 THR H H 55 8.074 8.074 7.971 0.103 19739 1701 1 5 . 1 1 56 56 GLY N N 56 108.640 108.640 109.421 -0.781 19739 1702 1 5 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.566 1.735 19739 1703 1 5 . 1 1 56 56 GLY H H 56 7.982 7.982 8.791 -0.809 19739 1704 1 5 . 1 1 57 57 ARG N N 57 116.810 116.810 121.092 -4.282 19739 1705 1 5 . 1 1 57 57 ARG H H 57 7.955 7.955 8.153 -0.198 19739 1706 1 5 . 1 1 58 58 THR N N 58 108.470 108.470 111.735 -3.265 19739 1707 1 5 . 1 1 58 58 THR HA H 58 4.495 4.495 4.150 0.345 19739 1708 1 5 . 1 1 58 58 THR CA C 58 61.154 61.154 62.997 -1.843 19739 1709 1 5 . 1 1 58 58 THR CB C 58 70.200 70.200 67.596 2.604 19739 1710 1 5 . 1 1 58 58 THR H H 58 7.284 7.284 8.330 -1.046 19739 1711 1 5 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.324 -0.218 19739 1712 1 5 . 1 1 59 59 GLU CA C 59 57.300 57.300 58.414 -1.114 19739 1713 1 5 . 1 1 60 60 ALA N N 60 120.840 120.840 122.121 -1.281 19739 1714 1 5 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.626 -0.557 19739 1715 1 5 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.411 0.280 19739 1716 1 5 . 1 1 60 60 ALA CB C 60 19.620 19.620 19.009 0.611 19739 1717 1 5 . 1 1 60 60 ALA H H 60 7.887 7.887 8.526 -0.639 19739 1718 1 5 . 1 1 61 61 TRP N N 61 118.780 118.780 121.298 -2.518 19739 1719 1 5 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.817 -0.716 19739 1720 1 5 . 1 1 61 61 TRP CA C 61 58.270 58.270 58.359 -0.089 19739 1721 1 5 . 1 1 61 61 TRP CB C 61 29.459 29.459 30.138 -0.679 19739 1722 1 5 . 1 1 61 61 TRP H H 61 7.621 7.621 7.586 0.035 19739 1723 1 5 . 1 1 62 62 LYS N N 62 124.070 124.070 125.681 -1.611 19739 1724 1 5 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.900 0.905 19739 1725 1 5 . 1 1 62 62 LYS CA C 62 54.102 54.102 54.984 -0.882 19739 1726 1 5 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.056 -2.032 19739 1727 1 5 . 1 1 62 62 LYS H H 62 9.201 9.201 8.158 1.043 19739 1728 1 5 . 1 1 63 63 VAL N N 63 120.380 120.380 122.946 -2.566 19739 1729 1 5 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.852 1.179 19739 1730 1 5 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.971 -1.634 19739 1731 1 5 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.974 1.736 19739 1732 1 5 . 1 1 63 63 VAL H H 63 9.268 9.268 7.909 1.359 19739 1733 1 5 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.500 0.150 19739 1734 1 5 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.403 0.573 19739 1735 1 5 . 1 1 64 64 LEU CB C 64 43.868 43.868 44.071 -0.203 19739 1736 1 5 . 1 1 65 65 SER N N 65 117.960 117.960 113.745 4.215 19739 1737 1 5 . 1 1 65 65 SER HA H 65 5.092 5.092 4.787 0.305 19739 1738 1 5 . 1 1 65 65 SER CA C 65 55.790 55.790 55.909 -0.119 19739 1739 1 5 . 1 1 65 65 SER CB C 65 64.408 64.408 65.033 -0.625 19739 1740 1 5 . 1 1 65 65 SER H H 65 8.654 8.654 8.406 0.248 19739 1741 1 5 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.576 -0.227 19739 1742 1 5 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.085 0.466 19739 1743 1 5 . 1 1 67 67 GLN N N 67 116.960 116.960 116.573 0.387 19739 1744 1 5 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.468 -0.134 19739 1745 1 5 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.618 0.986 19739 1746 1 5 . 1 1 67 67 GLN CB C 67 28.733 28.733 31.756 -3.023 19739 1747 1 5 . 1 1 67 67 GLN H H 67 8.212 8.212 7.750 0.462 19739 1748 1 5 . 1 1 68 68 GLY N N 68 108.700 108.700 108.409 0.291 19739 1749 1 5 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.242 1.522 19739 1750 1 5 . 1 1 68 68 GLY H H 68 8.069 8.069 7.747 0.322 19739 1751 1 5 . 1 1 69 69 GLY N N 69 109.370 109.370 106.113 3.257 19739 1752 1 5 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.479 0.574 19739 1753 1 5 . 1 1 69 69 GLY H H 69 8.354 8.354 8.430 -0.076 19739 1754 1 5 . 1 1 70 70 GLY N N 70 109.700 109.700 106.347 3.353 19739 1755 1 5 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.895 0.183 19739 1756 1 5 . 1 1 70 70 GLY H H 70 8.428 8.428 7.894 0.534 19739 1757 1 5 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.380 -0.020 19739 1758 1 5 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.446 -0.122 19739 1759 1 5 . 1 1 71 71 PRO CB C 71 32.100 32.100 31.906 0.194 19739 1760 1 5 . 1 1 72 72 TRP N N 72 118.420 118.420 120.938 -2.518 19739 1761 1 5 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.392 0.006 19739 1762 1 5 . 1 1 72 72 TRP CA C 72 59.360 59.360 59.691 -0.331 19739 1763 1 5 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.155 -0.486 19739 1764 1 5 . 1 1 72 72 TRP H H 72 8.204 8.204 7.935 0.269 19739 1765 1 5 . 1 1 73 73 ASP N N 73 119.400 119.400 119.117 0.283 19739 1766 1 5 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.580 -0.155 19739 1767 1 5 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.408 0.638 19739 1768 1 5 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.753 -0.132 19739 1769 1 5 . 1 1 73 73 ASP H H 73 7.686 7.686 7.870 -0.184 19739 1770 1 5 . 1 1 74 74 SER N N 74 110.610 110.610 113.502 -2.892 19739 1771 1 5 . 1 1 74 74 SER HA H 74 4.250 4.250 4.339 -0.089 19739 1772 1 5 . 1 1 74 74 SER CA C 74 59.125 59.125 59.895 -0.770 19739 1773 1 5 . 1 1 74 74 SER H H 74 7.563 7.563 7.568 -0.005 19739 1774 1 5 . 1 1 75 75 VAL N N 75 119.230 119.230 120.595 -1.365 19739 1775 1 5 . 1 1 75 75 VAL HA H 75 3.799 3.799 3.927 -0.128 19739 1776 1 5 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.656 1.001 19739 1777 1 5 . 1 1 75 75 VAL H H 75 7.740 7.740 7.256 0.484 19739 1778 1 5 . 1 1 76 76 ALA N N 76 120.240 120.240 118.789 1.451 19739 1779 1 5 . 1 1 76 76 ALA CA C 76 51.869 51.869 49.697 2.171 19739 1780 1 5 . 1 1 76 76 ALA H H 76 7.994 7.994 7.639 0.355 19739 1781 1 5 . 1 1 77 77 ARG N N 77 119.730 119.730 118.806 0.924 19739 1782 1 5 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.770 0.142 19739 1783 1 5 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.588 -1.907 19739 1784 1 5 . 1 1 77 77 ARG CB C 77 20.705 20.705 34.013 -13.308 19739 1785 1 5 . 1 1 77 77 ARG H H 77 8.796 8.796 8.409 0.387 19739 1786 1 5 . 1 1 78 78 VAL N N 78 123.460 123.460 123.330 0.130 19739 1787 1 5 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.992 -0.641 19739 1788 1 5 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.485 0.735 19739 1789 1 5 . 1 1 78 78 VAL H H 78 8.583 8.583 8.451 0.132 19739 1790 1 5 . 1 1 79 79 LEU N N 79 128.990 128.990 129.641 -0.651 19739 1791 1 5 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.891 1.921 19739 1792 1 5 . 1 1 79 79 LEU H H 79 9.319 9.319 8.969 0.350 19739 1793 1 5 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.303 0.094 19739 1794 1 5 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.083 -1.572 19739 1795 1 5 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.703 -0.003 19739 1796 1 5 . 1 1 81 81 ASN N N 81 109.840 109.840 114.933 -5.093 19739 1797 1 5 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.660 -0.087 19739 1798 1 5 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.497 -0.332 19739 1799 1 5 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.562 -0.362 19739 1800 1 5 . 1 1 81 81 ASN H H 81 7.297 7.297 8.097 -0.800 19739 1801 1 5 . 1 1 82 82 GLY N N 82 108.850 108.850 108.291 0.559 19739 1802 1 5 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.240 0.515 19739 1803 1 5 . 1 1 82 82 GLY H H 82 8.579 8.579 8.388 0.191 19739 1804 1 5 . 1 1 83 83 SER N N 83 115.150 115.150 116.495 -1.345 19739 1805 1 5 . 1 1 83 83 SER HA H 83 4.824 4.824 5.326 -0.502 19739 1806 1 5 . 1 1 83 83 SER CA C 83 60.327 60.327 58.185 2.142 19739 1807 1 5 . 1 1 83 83 SER H H 83 7.775 7.775 7.931 -0.156 19739 1808 1 5 . 1 1 84 84 LEU N N 84 123.650 123.650 126.596 -2.946 19739 1809 1 5 . 1 1 84 84 LEU HA H 84 4.279 4.279 4.909 -0.630 19739 1810 1 5 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.990 -0.369 19739 1811 1 5 . 1 1 84 84 LEU CB C 84 42.079 42.079 44.136 -2.057 19739 1812 1 5 . 1 1 84 84 LEU H H 84 8.781 8.781 9.058 -0.277 19739 1813 1 5 . 1 1 85 85 PHE N N 85 126.120 126.120 128.348 -2.228 19739 1814 1 5 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.217 0.151 19739 1815 1 5 . 1 1 85 85 PHE CA C 85 54.193 54.193 54.799 -0.606 19739 1816 1 5 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.400 5.043 19739 1817 1 5 . 1 1 85 85 PHE H H 85 8.991 8.991 9.408 -0.417 19739 1818 1 5 . 1 1 86 86 LEU N N 86 129.500 129.500 129.545 -0.045 19739 1819 1 5 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.388 2.776 19739 1820 1 5 . 1 1 86 86 LEU H H 86 8.682 8.682 8.957 -0.275 19739 1821 1 5 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.863 -0.454 19739 1822 1 5 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.056 0.045 19739 1823 1 5 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.761 0.283 19739 1824 1 5 . 1 1 88 88 ALA N N 88 115.010 115.010 117.546 -2.536 19739 1825 1 5 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.483 -0.875 19739 1826 1 5 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.473 0.154 19739 1827 1 5 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.355 -1.455 19739 1828 1 5 . 1 1 88 88 ALA H H 88 7.151 7.151 7.415 -0.264 19739 1829 1 5 . 1 1 89 89 VAL N N 89 124.890 124.890 124.831 0.059 19739 1830 1 5 . 1 1 89 89 VAL HA H 89 3.793 3.793 3.915 -0.122 19739 1831 1 5 . 1 1 89 89 VAL CA C 89 64.159 64.159 63.133 1.026 19739 1832 1 5 . 1 1 89 89 VAL CB C 89 31.904 31.904 32.293 -0.389 19739 1833 1 5 . 1 1 89 89 VAL H H 89 8.066 8.066 8.321 -0.255 19739 1834 1 5 . 1 1 90 90 GLY N N 90 116.780 116.780 115.171 1.609 19739 1835 1 5 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.026 -0.533 19739 1836 1 5 . 1 1 90 90 GLY H H 90 9.715 9.715 9.024 0.691 19739 1837 1 5 . 1 1 91 91 ILE N N 91 118.490 118.490 114.554 3.936 19739 1838 1 5 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.186 -0.384 19739 1839 1 5 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.656 1.125 19739 1840 1 5 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.133 0.267 19739 1841 1 5 . 1 1 91 91 ILE H H 91 8.596 8.596 8.074 0.522 19739 1842 1 5 . 1 1 92 92 GLN N N 92 116.720 116.720 119.833 -3.113 19739 1843 1 5 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.191 -0.960 19739 1844 1 5 . 1 1 92 92 GLN H H 92 8.682 8.682 8.278 0.404 19739 1845 1 5 . 1 1 93 93 ASP N N 93 115.890 115.890 116.918 -1.028 19739 1846 1 5 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.860 -0.229 19739 1847 1 5 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.170 1.538 19739 1848 1 5 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.326 1.574 19739 1849 1 5 . 1 1 93 93 ASP H H 93 7.644 7.644 8.410 -0.766 19739 1850 1 5 . 1 1 94 94 GLU N N 94 112.880 112.880 120.793 -7.913 19739 1851 1 5 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.246 -0.155 19739 1852 1 5 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.322 1.404 19739 1853 1 5 . 1 1 94 94 GLU CB C 94 30.544 30.544 28.600 1.944 19739 1854 1 5 . 1 1 94 94 GLU H H 94 6.666 6.666 7.325 -0.659 19739 1855 1 5 . 1 1 95 95 GLY N N 95 109.750 109.750 108.704 1.046 19739 1856 1 5 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.989 0.070 19739 1857 1 5 . 1 1 95 95 GLY H H 95 8.024 8.024 7.568 0.456 19739 1858 1 5 . 1 1 96 96 ILE N N 96 119.990 119.990 120.313 -0.323 19739 1859 1 5 . 1 1 96 96 ILE HA H 96 5.361 5.361 4.959 0.402 19739 1860 1 5 . 1 1 96 96 ILE CA C 96 59.635 59.635 59.967 -0.332 19739 1861 1 5 . 1 1 96 96 ILE CB C 96 40.300 40.300 37.712 2.588 19739 1862 1 5 . 1 1 96 96 ILE H H 96 7.658 7.658 7.554 0.104 19739 1863 1 5 . 1 1 97 97 PHE N N 97 124.050 124.050 127.320 -3.270 19739 1864 1 5 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.361 0.952 19739 1865 1 5 . 1 1 97 97 PHE CA C 97 56.466 56.466 58.543 -2.077 19739 1866 1 5 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.037 3.507 19739 1867 1 5 . 1 1 97 97 PHE H H 97 9.194 9.194 8.666 0.528 19739 1868 1 5 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.071 0.671 19739 1869 1 5 . 1 1 98 98 ARG CA C 98 54.501 54.501 54.985 -0.484 19739 1870 1 5 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.187 3.096 19739 1871 1 5 . 1 1 99 99 CYS N N 99 121.320 121.320 124.488 -3.168 19739 1872 1 5 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.587 0.318 19739 1873 1 5 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.911 -5.712 19739 1874 1 5 . 1 1 99 99 CYS H H 99 8.625 8.625 8.833 -0.208 19739 1875 1 5 . 1 1 100 100 GLN N N 100 127.220 127.220 125.004 2.216 19739 1876 1 5 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.728 0.113 19739 1877 1 5 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.588 -0.988 19739 1878 1 5 . 1 1 100 100 GLN H H 100 8.390 8.390 8.152 0.238 19739 1879 1 5 . 1 1 101 101 ALA N N 101 126.770 126.770 125.934 0.836 19739 1880 1 5 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.996 -0.721 19739 1881 1 5 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.323 0.229 19739 1882 1 5 . 1 1 101 101 ALA CB C 101 22.877 22.877 21.553 1.324 19739 1883 1 5 . 1 1 101 101 ALA H H 101 8.623 8.623 8.559 0.064 19739 1884 1 5 . 1 1 102 102 MET N N 102 119.560 119.560 119.914 -0.354 19739 1885 1 5 . 1 1 102 102 MET HA H 102 4.959 4.959 5.314 -0.355 19739 1886 1 5 . 1 1 102 102 MET CA C 102 54.225 54.225 53.688 0.537 19739 1887 1 5 . 1 1 102 102 MET H H 102 8.085 8.085 8.612 -0.527 19739 1888 1 5 . 1 1 103 103 ASN N N 103 122.280 122.280 122.592 -0.312 19739 1889 1 5 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.895 -0.039 19739 1890 1 5 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.137 -0.552 19739 1891 1 5 . 1 1 103 103 ASN CB C 103 39.479 39.479 39.984 -0.505 19739 1892 1 5 . 1 1 103 103 ASN H H 103 8.370 8.370 8.286 0.084 19739 1893 1 5 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.191 -0.081 19739 1894 1 5 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.639 -0.006 19739 1895 1 5 . 1 1 104 104 ARG CB C 104 29.675 29.675 30.158 -0.483 19739 1896 1 5 . 1 1 105 105 ASN N N 105 115.430 115.430 115.895 -0.465 19739 1897 1 5 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.716 0.071 19739 1898 1 5 . 1 1 105 105 ASN CA C 105 52.846 52.846 53.169 -0.323 19739 1899 1 5 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.846 -0.046 19739 1900 1 5 . 1 1 105 105 ASN H H 105 7.922 7.922 8.153 -0.231 19739 1901 1 5 . 1 1 106 106 GLY N N 106 107.550 107.550 108.424 -0.874 19739 1902 1 5 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.198 0.722 19739 1903 1 5 . 1 1 106 106 GLY H H 106 8.036 8.036 7.776 0.260 19739 1904 1 5 . 1 1 107 107 LYS N N 107 119.970 119.970 123.094 -3.124 19739 1905 1 5 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.929 -0.919 19739 1906 1 5 . 1 1 107 107 LYS H H 107 7.716 7.716 7.836 -0.120 19739 1907 1 5 . 1 1 108 108 GLU N N 108 125.660 125.660 122.958 2.702 19739 1908 1 5 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.463 -0.473 19739 1909 1 5 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.410 1.114 19739 1910 1 5 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.423 -0.343 19739 1911 1 5 . 1 1 108 108 GLU H H 108 8.706 8.706 8.414 0.292 19739 1912 1 5 . 1 1 109 109 THR N N 109 121.300 121.300 114.187 7.113 19739 1913 1 5 . 1 1 109 109 THR HA H 109 4.485 4.485 4.471 0.014 19739 1914 1 5 . 1 1 109 109 THR CA C 109 62.448 62.448 60.941 1.506 19739 1915 1 5 . 1 1 109 109 THR CB C 109 70.670 70.670 70.359 0.312 19739 1916 1 5 . 1 1 109 109 THR H H 109 9.059 9.059 8.443 0.616 19739 1917 1 5 . 1 1 110 110 LYS N N 110 127.017 127.017 129.065 -2.048 19739 1918 1 5 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.775 -0.312 19739 1919 1 5 . 1 1 110 110 LYS H H 110 8.776 8.776 8.600 0.176 19739 1920 1 5 . 1 1 111 111 SER HA H 111 4.628 4.628 4.542 0.086 19739 1921 1 5 . 1 1 111 111 SER CA C 111 65.621 65.621 57.361 8.259 19739 1922 1 5 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.660 -1.128 19739 1923 1 5 . 1 1 112 112 ASN CA C 112 56.368 56.368 53.036 3.332 19739 1924 1 5 . 1 1 113 113 TYR N N 113 121.350 121.350 121.343 0.007 19739 1925 1 5 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.790 0.806 19739 1926 1 5 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.349 -0.628 19739 1927 1 5 . 1 1 113 113 TYR H H 113 9.582 9.582 9.177 0.405 19739 1928 1 5 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.964 0.299 19739 1929 1 5 . 1 1 114 114 ARG CA C 114 53.811 53.811 53.913 -0.102 19739 1930 1 5 . 1 1 115 115 VAL N N 115 128.860 128.860 126.389 2.471 19739 1931 1 5 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.089 1.023 19739 1932 1 5 . 1 1 115 115 VAL CB C 115 33.829 33.829 32.559 1.270 19739 1933 1 5 . 1 1 115 115 VAL H H 115 9.299 9.299 7.892 1.407 19739 1934 1 5 . 1 1 116 116 ARG N N 116 128.100 128.100 126.627 1.473 19739 1935 1 5 . 1 1 116 116 ARG HA H 116 4.945 4.945 5.155 -0.210 19739 1936 1 5 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.871 0.350 19739 1937 1 5 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.651 0.366 19739 1938 1 5 . 1 1 116 116 ARG H H 116 8.728 8.728 9.163 -0.435 19739 1939 1 5 . 1 1 117 117 VAL N N 117 120.340 120.340 120.807 -0.467 19739 1940 1 5 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.782 0.237 19739 1941 1 5 . 1 1 117 117 VAL CA C 117 60.524 60.524 60.405 0.119 19739 1942 1 5 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.179 -0.534 19739 1943 1 5 . 1 1 117 117 VAL H H 117 9.226 9.226 9.308 -0.082 19739 1944 1 5 . 1 1 118 118 TYR N N 118 122.880 122.880 118.982 3.898 19739 1945 1 5 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.293 0.457 19739 1946 1 5 . 1 1 118 118 TYR CA C 118 56.857 56.857 60.232 -3.375 19739 1947 1 5 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.445 2.646 19739 1948 1 5 . 1 1 118 118 TYR H H 118 8.668 8.668 7.733 0.935 19739 1949 1 5 . 1 1 119 119 GLN N N 119 121.740 121.740 118.721 3.019 19739 1950 1 5 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.541 -0.193 19739 1951 1 5 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.006 -0.049 19739 1952 1 5 . 1 1 119 119 GLN CB C 119 30.303 30.303 28.184 2.119 19739 1953 1 5 . 1 1 119 119 GLN H H 119 8.351 8.351 8.168 0.183 19739 1954 1 5 . 1 1 120 120 ILE N N 120 123.720 123.720 120.532 3.188 19739 1955 1 5 . 1 1 120 120 ILE H H 120 8.034 8.034 8.069 -0.035 19739 1956 1 6 . 1 1 24 24 GLN N N 24 121.380 121.380 120.990 0.390 19739 1957 1 6 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.521 -0.027 19739 1958 1 6 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.147 0.819 19739 1959 1 6 . 1 1 24 24 GLN CB C 24 30.135 30.135 30.655 -0.520 19739 1960 1 6 . 1 1 24 24 GLN H H 24 8.313 8.313 8.268 0.045 19739 1961 1 6 . 1 1 25 25 ASN N N 25 125.370 125.370 122.337 3.033 19739 1962 1 6 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.417 -0.047 19739 1963 1 6 . 1 1 25 25 ASN CA C 25 53.735 53.735 53.014 0.721 19739 1964 1 6 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.370 -0.015 19739 1965 1 6 . 1 1 25 25 ASN H H 25 8.962 8.962 8.758 0.204 19739 1966 1 6 . 1 1 26 26 ILE N N 26 126.350 126.350 125.512 0.838 19739 1967 1 6 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.436 0.120 19739 1968 1 6 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.519 -2.066 19739 1969 1 6 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.194 -1.257 19739 1970 1 6 . 1 1 26 26 ILE H H 26 9.208 9.208 9.057 0.151 19739 1971 1 6 . 1 1 27 27 THR N N 27 122.550 122.550 122.343 0.207 19739 1972 1 6 . 1 1 27 27 THR HA H 27 5.144 5.144 4.934 0.210 19739 1973 1 6 . 1 1 27 27 THR CA C 27 60.949 60.949 61.536 -0.587 19739 1974 1 6 . 1 1 27 27 THR CB C 27 69.931 69.931 69.175 0.756 19739 1975 1 6 . 1 1 27 27 THR H H 27 8.652 8.652 8.449 0.203 19739 1976 1 6 . 1 1 28 28 ALA N N 28 129.260 129.260 128.042 1.218 19739 1977 1 6 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.677 -0.007 19739 1978 1 6 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.658 -0.424 19739 1979 1 6 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.076 1.165 19739 1980 1 6 . 1 1 28 28 ALA H H 28 8.965 8.965 8.871 0.094 19739 1981 1 6 . 1 1 29 29 ARG N N 29 120.870 120.870 119.700 1.170 19739 1982 1 6 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.947 -0.599 19739 1983 1 6 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.718 0.320 19739 1984 1 6 . 1 1 29 29 ARG CB C 29 31.464 31.464 32.436 -0.972 19739 1985 1 6 . 1 1 29 29 ARG H H 29 8.248 8.248 8.750 -0.502 19739 1986 1 6 . 1 1 30 30 ILE N N 30 122.830 122.830 121.004 1.826 19739 1987 1 6 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.232 -0.716 19739 1988 1 6 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.894 0.945 19739 1989 1 6 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.148 1.151 19739 1990 1 6 . 1 1 30 30 ILE H H 30 8.173 8.173 8.627 -0.454 19739 1991 1 6 . 1 1 31 31 GLY N N 31 114.180 114.180 114.763 -0.583 19739 1992 1 6 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.986 -0.194 19739 1993 1 6 . 1 1 31 31 GLY H H 31 9.525 9.525 9.216 0.309 19739 1994 1 6 . 1 1 32 32 GLU N N 32 120.550 120.550 120.955 -0.405 19739 1995 1 6 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.785 -0.006 19739 1996 1 6 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.482 2.741 19739 1997 1 6 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.383 -1.431 19739 1998 1 6 . 1 1 32 32 GLU H H 32 7.634 7.634 7.619 0.015 19739 1999 1 6 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.089 -0.526 19739 2000 1 6 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.614 -0.672 19739 2001 1 6 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.041 0.859 19739 2002 1 6 . 1 1 34 34 LEU N N 34 121.680 121.680 127.017 -5.337 19739 2003 1 6 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.766 -0.238 19739 2004 1 6 . 1 1 34 34 LEU CA C 34 54.176 54.176 53.876 0.300 19739 2005 1 6 . 1 1 34 34 LEU CB C 34 47.317 47.317 45.696 1.621 19739 2006 1 6 . 1 1 34 34 LEU H H 34 8.519 8.519 7.938 0.581 19739 2007 1 6 . 1 1 35 35 VAL N N 35 124.430 124.430 125.289 -0.859 19739 2008 1 6 . 1 1 35 35 VAL HA H 35 5.000 5.000 4.923 0.077 19739 2009 1 6 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.166 -0.759 19739 2010 1 6 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.716 0.799 19739 2011 1 6 . 1 1 35 35 VAL H H 35 8.066 8.066 8.374 -0.308 19739 2012 1 6 . 1 1 36 36 LEU N N 36 126.670 126.670 130.018 -3.348 19739 2013 1 6 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.779 -0.389 19739 2014 1 6 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.769 -1.607 19739 2015 1 6 . 1 1 36 36 LEU H H 36 8.883 8.883 8.975 -0.092 19739 2016 1 6 . 1 1 37 37 LYS N N 37 121.220 121.220 120.733 0.487 19739 2017 1 6 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.870 -0.334 19739 2018 1 6 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.727 0.939 19739 2019 1 6 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.879 -0.270 19739 2020 1 6 . 1 1 37 37 LYS H H 37 8.399 8.399 8.321 0.078 19739 2021 1 6 . 1 1 38 38 CYS N N 38 126.370 126.370 124.387 1.983 19739 2022 1 6 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.861 -0.168 19739 2023 1 6 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.193 -1.760 19739 2024 1 6 . 1 1 38 38 CYS CB C 38 44.031 44.031 27.495 16.536 19739 2025 1 6 . 1 1 38 38 CYS H H 38 8.878 8.878 9.115 -0.237 19739 2026 1 6 . 1 1 39 39 LYS N N 39 126.170 126.170 124.921 1.249 19739 2027 1 6 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.520 -0.626 19739 2028 1 6 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.149 2.468 19739 2029 1 6 . 1 1 39 39 LYS CB C 39 31.967 31.967 30.611 1.355 19739 2030 1 6 . 1 1 39 39 LYS H H 39 7.686 7.686 8.804 -1.118 19739 2031 1 6 . 1 1 40 40 GLY N N 40 108.770 108.770 110.016 -1.246 19739 2032 1 6 . 1 1 40 40 GLY CA C 40 45.092 45.092 44.836 0.256 19739 2033 1 6 . 1 1 40 40 GLY H H 40 8.228 8.228 8.205 0.023 19739 2034 1 6 . 1 1 41 41 ALA N N 41 122.190 122.190 123.334 -1.144 19739 2035 1 6 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.853 -0.510 19739 2036 1 6 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.018 -0.051 19739 2037 1 6 . 1 1 41 41 ALA CB C 41 17.899 17.899 19.099 -1.200 19739 2038 1 6 . 1 1 41 41 ALA H H 41 7.403 7.403 7.836 -0.433 19739 2039 1 6 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.620 -0.096 19739 2040 1 6 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.948 0.991 19739 2041 1 6 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.743 -0.004 19739 2042 1 6 . 1 1 43 43 LYS N N 43 118.900 118.900 119.736 -0.836 19739 2043 1 6 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.314 -0.206 19739 2044 1 6 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.306 1.562 19739 2045 1 6 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.844 2.379 19739 2046 1 6 . 1 1 43 43 LYS H H 43 8.447 8.447 8.501 -0.054 19739 2047 1 6 . 1 1 44 44 LYS N N 44 115.950 115.950 119.692 -3.742 19739 2048 1 6 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.659 -0.038 19739 2049 1 6 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.371 -0.385 19739 2050 1 6 . 1 1 44 44 LYS H H 44 7.377 7.377 7.558 -0.181 19739 2051 1 6 . 1 1 46 46 PRO CB C 46 34.657 34.657 31.660 2.997 19739 2052 1 6 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.691 -0.333 19739 2053 1 6 . 1 1 47 47 GLN CA C 47 55.007 55.007 53.877 1.129 19739 2054 1 6 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.563 2.137 19739 2055 1 6 . 1 1 48 48 ARG N N 48 125.070 125.070 122.046 3.024 19739 2056 1 6 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.260 -0.146 19739 2057 1 6 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.680 -11.090 19739 2058 1 6 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.518 -1.018 19739 2059 1 6 . 1 1 48 48 ARG H H 48 9.071 9.071 8.617 0.454 19739 2060 1 6 . 1 1 49 49 LEU N N 49 121.150 121.150 128.139 -6.989 19739 2061 1 6 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.726 0.539 19739 2062 1 6 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.024 0.285 19739 2063 1 6 . 1 1 49 49 LEU CB C 49 44.848 44.848 43.667 1.181 19739 2064 1 6 . 1 1 49 49 LEU H H 49 7.798 7.798 8.909 -1.111 19739 2065 1 6 . 1 1 50 50 GLU N N 50 120.200 120.200 124.394 -4.194 19739 2066 1 6 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.487 0.248 19739 2067 1 6 . 1 1 50 50 GLU CA C 50 55.947 55.947 54.312 1.635 19739 2068 1 6 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.098 6.139 19739 2069 1 6 . 1 1 50 50 GLU H H 50 8.380 8.380 8.323 0.057 19739 2070 1 6 . 1 1 51 51 TRP N N 51 125.560 125.560 127.043 -1.483 19739 2071 1 6 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.376 1.126 19739 2072 1 6 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.970 -3.250 19739 2073 1 6 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.318 2.202 19739 2074 1 6 . 1 1 51 51 TRP H H 51 9.161 9.161 7.857 1.304 19739 2075 1 6 . 1 1 52 52 LYS N N 52 120.150 120.150 123.018 -2.868 19739 2076 1 6 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.826 0.746 19739 2077 1 6 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.768 0.188 19739 2078 1 6 . 1 1 52 52 LYS CB C 52 36.900 36.900 36.994 -0.094 19739 2079 1 6 . 1 1 52 52 LYS H H 52 9.775 9.775 7.612 2.163 19739 2080 1 6 . 1 1 53 53 LEU N N 53 122.450 122.450 113.720 8.730 19739 2081 1 6 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.659 0.707 19739 2082 1 6 . 1 1 53 53 LEU CA C 53 54.321 54.321 53.670 0.651 19739 2083 1 6 . 1 1 53 53 LEU H H 53 9.238 9.238 7.706 1.532 19739 2084 1 6 . 1 1 54 54 ASN N N 54 123.200 123.200 118.523 4.677 19739 2085 1 6 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.975 -0.198 19739 2086 1 6 . 1 1 54 54 ASN CA C 54 53.941 53.941 53.240 0.701 19739 2087 1 6 . 1 1 54 54 ASN H H 54 8.913 8.913 8.727 0.186 19739 2088 1 6 . 1 1 55 55 THR N N 55 112.570 112.570 115.659 -3.089 19739 2089 1 6 . 1 1 55 55 THR HA H 55 5.063 5.063 4.741 0.322 19739 2090 1 6 . 1 1 55 55 THR CA C 55 68.927 68.927 59.981 8.946 19739 2091 1 6 . 1 1 55 55 THR H H 55 8.074 8.074 7.959 0.115 19739 2092 1 6 . 1 1 56 56 GLY N N 56 108.640 108.640 109.701 -1.061 19739 2093 1 6 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.919 1.382 19739 2094 1 6 . 1 1 56 56 GLY H H 56 7.982 7.982 8.747 -0.765 19739 2095 1 6 . 1 1 57 57 ARG N N 57 116.810 116.810 119.994 -3.184 19739 2096 1 6 . 1 1 57 57 ARG H H 57 7.955 7.955 8.113 -0.158 19739 2097 1 6 . 1 1 58 58 THR N N 58 108.470 108.470 112.909 -4.439 19739 2098 1 6 . 1 1 58 58 THR HA H 58 4.495 4.495 4.228 0.267 19739 2099 1 6 . 1 1 58 58 THR CA C 58 61.154 61.154 63.110 -1.956 19739 2100 1 6 . 1 1 58 58 THR CB C 58 70.200 70.200 67.865 2.335 19739 2101 1 6 . 1 1 58 58 THR H H 58 7.284 7.284 7.979 -0.695 19739 2102 1 6 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.485 -0.379 19739 2103 1 6 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.622 -0.322 19739 2104 1 6 . 1 1 60 60 ALA N N 60 120.840 120.840 124.844 -4.004 19739 2105 1 6 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.581 -0.512 19739 2106 1 6 . 1 1 60 60 ALA CA C 60 51.691 51.691 52.076 -0.385 19739 2107 1 6 . 1 1 60 60 ALA CB C 60 19.620 19.620 18.856 0.764 19739 2108 1 6 . 1 1 60 60 ALA H H 60 7.887 7.887 8.125 -0.238 19739 2109 1 6 . 1 1 61 61 TRP N N 61 118.780 118.780 124.866 -6.086 19739 2110 1 6 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.831 -0.730 19739 2111 1 6 . 1 1 61 61 TRP CA C 61 58.270 58.270 55.886 2.384 19739 2112 1 6 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.865 -2.406 19739 2113 1 6 . 1 1 61 61 TRP H H 61 7.621 7.621 7.735 -0.114 19739 2114 1 6 . 1 1 62 62 LYS N N 62 124.070 124.070 127.045 -2.975 19739 2115 1 6 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.864 0.941 19739 2116 1 6 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.590 -1.488 19739 2117 1 6 . 1 1 62 62 LYS CB C 62 33.024 33.024 34.651 -1.627 19739 2118 1 6 . 1 1 62 62 LYS H H 62 9.201 9.201 8.118 1.083 19739 2119 1 6 . 1 1 63 63 VAL N N 63 120.380 120.380 123.842 -3.462 19739 2120 1 6 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.891 1.140 19739 2121 1 6 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.731 -1.394 19739 2122 1 6 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.544 2.166 19739 2123 1 6 . 1 1 63 63 VAL H H 63 9.268 9.268 8.022 1.246 19739 2124 1 6 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.396 0.254 19739 2125 1 6 . 1 1 64 64 LEU CA C 64 53.976 53.976 54.046 -0.070 19739 2126 1 6 . 1 1 64 64 LEU CB C 64 43.868 43.868 42.822 1.046 19739 2127 1 6 . 1 1 65 65 SER N N 65 117.960 117.960 115.448 2.512 19739 2128 1 6 . 1 1 65 65 SER HA H 65 5.092 5.092 4.827 0.265 19739 2129 1 6 . 1 1 65 65 SER CA C 65 55.790 55.790 55.131 0.659 19739 2130 1 6 . 1 1 65 65 SER CB C 65 64.408 64.408 65.064 -0.656 19739 2131 1 6 . 1 1 65 65 SER H H 65 8.654 8.654 8.209 0.445 19739 2132 1 6 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.465 -0.116 19739 2133 1 6 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.452 0.099 19739 2134 1 6 . 1 1 67 67 GLN N N 67 116.960 116.960 116.077 0.883 19739 2135 1 6 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.484 -0.150 19739 2136 1 6 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.350 1.254 19739 2137 1 6 . 1 1 67 67 GLN CB C 67 28.733 28.733 31.347 -2.614 19739 2138 1 6 . 1 1 67 67 GLN H H 67 8.212 8.212 7.776 0.436 19739 2139 1 6 . 1 1 68 68 GLY N N 68 108.700 108.700 107.729 0.971 19739 2140 1 6 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.213 1.551 19739 2141 1 6 . 1 1 68 68 GLY H H 68 8.069 8.069 7.535 0.534 19739 2142 1 6 . 1 1 69 69 GLY N N 69 109.370 109.370 107.196 2.174 19739 2143 1 6 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.393 0.660 19739 2144 1 6 . 1 1 69 69 GLY H H 69 8.354 8.354 8.549 -0.195 19739 2145 1 6 . 1 1 70 70 GLY N N 70 109.700 109.700 106.244 3.456 19739 2146 1 6 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.808 0.270 19739 2147 1 6 . 1 1 70 70 GLY H H 70 8.428 8.428 7.854 0.574 19739 2148 1 6 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.392 -0.032 19739 2149 1 6 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.412 -0.088 19739 2150 1 6 . 1 1 71 71 PRO CB C 71 32.100 32.100 31.919 0.181 19739 2151 1 6 . 1 1 72 72 TRP N N 72 118.420 118.420 121.036 -2.616 19739 2152 1 6 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.619 -0.221 19739 2153 1 6 . 1 1 72 72 TRP CA C 72 59.360 59.360 57.597 1.763 19739 2154 1 6 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.536 -0.867 19739 2155 1 6 . 1 1 72 72 TRP H H 72 8.204 8.204 7.976 0.228 19739 2156 1 6 . 1 1 73 73 ASP N N 73 119.400 119.400 120.050 -0.650 19739 2157 1 6 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.447 -0.022 19739 2158 1 6 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.657 0.389 19739 2159 1 6 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.894 -0.273 19739 2160 1 6 . 1 1 73 73 ASP H H 73 7.686 7.686 7.901 -0.215 19739 2161 1 6 . 1 1 74 74 SER N N 74 110.610 110.610 113.371 -2.761 19739 2162 1 6 . 1 1 74 74 SER HA H 74 4.250 4.250 4.375 -0.125 19739 2163 1 6 . 1 1 74 74 SER CA C 74 59.125 59.125 59.108 0.017 19739 2164 1 6 . 1 1 74 74 SER H H 74 7.563 7.563 7.799 -0.236 19739 2165 1 6 . 1 1 75 75 VAL N N 75 119.230 119.230 120.196 -0.966 19739 2166 1 6 . 1 1 75 75 VAL HA H 75 3.799 3.799 4.057 -0.258 19739 2167 1 6 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.560 1.097 19739 2168 1 6 . 1 1 75 75 VAL H H 75 7.740 7.740 7.317 0.423 19739 2169 1 6 . 1 1 76 76 ALA N N 76 120.240 120.240 119.973 0.267 19739 2170 1 6 . 1 1 76 76 ALA CA C 76 51.869 51.869 50.147 1.722 19739 2171 1 6 . 1 1 76 76 ALA H H 76 7.994 7.994 7.678 0.316 19739 2172 1 6 . 1 1 77 77 ARG N N 77 119.730 119.730 123.019 -3.289 19739 2173 1 6 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.616 0.296 19739 2174 1 6 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.447 -1.766 19739 2175 1 6 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.315 -11.610 19739 2176 1 6 . 1 1 77 77 ARG H H 77 8.796 8.796 8.289 0.507 19739 2177 1 6 . 1 1 78 78 VAL N N 78 123.460 123.460 125.563 -2.103 19739 2178 1 6 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.741 -0.390 19739 2179 1 6 . 1 1 78 78 VAL CA C 78 62.220 62.220 60.685 1.535 19739 2180 1 6 . 1 1 78 78 VAL H H 78 8.583 8.583 8.480 0.103 19739 2181 1 6 . 1 1 79 79 LEU N N 79 128.990 128.990 130.165 -1.175 19739 2182 1 6 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.845 1.967 19739 2183 1 6 . 1 1 79 79 LEU H H 79 9.319 9.319 8.965 0.354 19739 2184 1 6 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.338 0.059 19739 2185 1 6 . 1 1 80 80 PRO CA C 80 63.511 63.511 64.929 -1.418 19739 2186 1 6 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.573 0.127 19739 2187 1 6 . 1 1 81 81 ASN N N 81 109.840 109.840 115.312 -5.472 19739 2188 1 6 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.667 -0.094 19739 2189 1 6 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.607 -0.442 19739 2190 1 6 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.862 -0.662 19739 2191 1 6 . 1 1 81 81 ASN H H 81 7.297 7.297 8.095 -0.798 19739 2192 1 6 . 1 1 82 82 GLY N N 82 108.850 108.850 108.381 0.469 19739 2193 1 6 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.197 0.558 19739 2194 1 6 . 1 1 82 82 GLY H H 82 8.579 8.579 8.333 0.246 19739 2195 1 6 . 1 1 83 83 SER N N 83 115.150 115.150 115.313 -0.163 19739 2196 1 6 . 1 1 83 83 SER HA H 83 4.824 4.824 5.371 -0.547 19739 2197 1 6 . 1 1 83 83 SER CA C 83 60.327 60.327 57.506 2.821 19739 2198 1 6 . 1 1 83 83 SER H H 83 7.775 7.775 7.817 -0.042 19739 2199 1 6 . 1 1 84 84 LEU N N 84 123.650 123.650 124.939 -1.289 19739 2200 1 6 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.136 -0.857 19739 2201 1 6 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.932 -0.311 19739 2202 1 6 . 1 1 84 84 LEU CB C 84 42.079 42.079 45.394 -3.315 19739 2203 1 6 . 1 1 84 84 LEU H H 84 8.781 8.781 8.999 -0.218 19739 2204 1 6 . 1 1 85 85 PHE N N 85 126.120 126.120 128.660 -2.540 19739 2205 1 6 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.150 0.218 19739 2206 1 6 . 1 1 85 85 PHE CA C 85 54.193 54.193 54.855 -0.662 19739 2207 1 6 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.304 5.139 19739 2208 1 6 . 1 1 85 85 PHE H H 85 8.991 8.991 9.327 -0.336 19739 2209 1 6 . 1 1 86 86 LEU N N 86 129.500 129.500 129.471 0.029 19739 2210 1 6 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.252 2.912 19739 2211 1 6 . 1 1 86 86 LEU H H 86 8.682 8.682 8.745 -0.063 19739 2212 1 6 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.806 -0.397 19739 2213 1 6 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.259 -0.158 19739 2214 1 6 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.765 0.279 19739 2215 1 6 . 1 1 88 88 ALA N N 88 115.010 115.010 117.572 -2.562 19739 2216 1 6 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.365 -0.757 19739 2217 1 6 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.431 0.196 19739 2218 1 6 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.252 -1.352 19739 2219 1 6 . 1 1 88 88 ALA H H 88 7.151 7.151 7.510 -0.359 19739 2220 1 6 . 1 1 89 89 VAL N N 89 124.890 124.890 125.336 -0.446 19739 2221 1 6 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.037 -0.244 19739 2222 1 6 . 1 1 89 89 VAL CA C 89 64.159 64.159 63.413 0.746 19739 2223 1 6 . 1 1 89 89 VAL CB C 89 31.904 31.904 31.966 -0.062 19739 2224 1 6 . 1 1 89 89 VAL H H 89 8.066 8.066 8.133 -0.067 19739 2225 1 6 . 1 1 90 90 GLY N N 90 116.780 116.780 116.063 0.717 19739 2226 1 6 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.322 -0.829 19739 2227 1 6 . 1 1 90 90 GLY H H 90 9.715 9.715 9.398 0.317 19739 2228 1 6 . 1 1 91 91 ILE N N 91 118.490 118.490 115.484 3.006 19739 2229 1 6 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.248 -0.446 19739 2230 1 6 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.380 1.401 19739 2231 1 6 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.284 0.116 19739 2232 1 6 . 1 1 91 91 ILE H H 91 8.596 8.596 8.209 0.387 19739 2233 1 6 . 1 1 92 92 GLN N N 92 116.720 116.720 119.112 -2.392 19739 2234 1 6 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.283 -1.052 19739 2235 1 6 . 1 1 92 92 GLN H H 92 8.682 8.682 8.352 0.330 19739 2236 1 6 . 1 1 93 93 ASP N N 93 115.890 115.890 117.610 -1.720 19739 2237 1 6 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.921 -0.290 19739 2238 1 6 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.780 0.929 19739 2239 1 6 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.504 1.397 19739 2240 1 6 . 1 1 93 93 ASP H H 93 7.644 7.644 8.502 -0.858 19739 2241 1 6 . 1 1 94 94 GLU N N 94 112.880 112.880 121.461 -8.581 19739 2242 1 6 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.218 -0.127 19739 2243 1 6 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.739 0.987 19739 2244 1 6 . 1 1 94 94 GLU CB C 94 30.544 30.544 28.252 2.292 19739 2245 1 6 . 1 1 94 94 GLU H H 94 6.666 6.666 7.391 -0.725 19739 2246 1 6 . 1 1 95 95 GLY N N 95 109.750 109.750 108.790 0.960 19739 2247 1 6 . 1 1 95 95 GLY CA C 95 45.059 45.059 45.027 0.032 19739 2248 1 6 . 1 1 95 95 GLY H H 95 8.024 8.024 7.713 0.311 19739 2249 1 6 . 1 1 96 96 ILE N N 96 119.990 119.990 119.877 0.113 19739 2250 1 6 . 1 1 96 96 ILE HA H 96 5.361 5.361 4.795 0.566 19739 2251 1 6 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.142 -0.507 19739 2252 1 6 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.151 2.149 19739 2253 1 6 . 1 1 96 96 ILE H H 96 7.658 7.658 7.558 0.100 19739 2254 1 6 . 1 1 97 97 PHE N N 97 124.050 124.050 127.368 -3.318 19739 2255 1 6 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.604 0.708 19739 2256 1 6 . 1 1 97 97 PHE CA C 97 56.466 56.466 57.194 -0.728 19739 2257 1 6 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.635 2.909 19739 2258 1 6 . 1 1 97 97 PHE H H 97 9.194 9.194 8.861 0.333 19739 2259 1 6 . 1 1 98 98 ARG HA H 98 5.742 5.742 4.966 0.776 19739 2260 1 6 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.451 -0.950 19739 2261 1 6 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.629 2.654 19739 2262 1 6 . 1 1 99 99 CYS N N 99 121.320 121.320 125.412 -4.092 19739 2263 1 6 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.656 0.249 19739 2264 1 6 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.339 -5.140 19739 2265 1 6 . 1 1 99 99 CYS H H 99 8.625 8.625 9.002 -0.377 19739 2266 1 6 . 1 1 100 100 GLN N N 100 127.220 127.220 125.753 1.467 19739 2267 1 6 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.674 0.168 19739 2268 1 6 . 1 1 100 100 GLN CB C 100 31.600 31.600 31.852 -0.252 19739 2269 1 6 . 1 1 100 100 GLN H H 100 8.390 8.390 7.962 0.428 19739 2270 1 6 . 1 1 101 101 ALA N N 101 126.770 126.770 128.658 -1.888 19739 2271 1 6 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.683 -0.408 19739 2272 1 6 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.724 -0.172 19739 2273 1 6 . 1 1 101 101 ALA CB C 101 22.877 22.877 22.448 0.429 19739 2274 1 6 . 1 1 101 101 ALA H H 101 8.623 8.623 8.290 0.333 19739 2275 1 6 . 1 1 102 102 MET N N 102 119.560 119.560 122.011 -2.451 19739 2276 1 6 . 1 1 102 102 MET HA H 102 4.959 4.959 5.338 -0.379 19739 2277 1 6 . 1 1 102 102 MET CA C 102 54.225 54.225 53.396 0.829 19739 2278 1 6 . 1 1 102 102 MET H H 102 8.085 8.085 8.403 -0.318 19739 2279 1 6 . 1 1 103 103 ASN N N 103 122.280 122.280 123.667 -1.387 19739 2280 1 6 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.863 -0.007 19739 2281 1 6 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.061 -0.476 19739 2282 1 6 . 1 1 103 103 ASN CB C 103 39.479 39.479 41.133 -1.654 19739 2283 1 6 . 1 1 103 103 ASN H H 103 8.370 8.370 8.408 -0.038 19739 2284 1 6 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.224 -0.114 19739 2285 1 6 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.462 0.172 19739 2286 1 6 . 1 1 104 104 ARG CB C 104 29.675 29.675 29.943 -0.268 19739 2287 1 6 . 1 1 105 105 ASN N N 105 115.430 115.430 115.839 -0.409 19739 2288 1 6 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.813 -0.026 19739 2289 1 6 . 1 1 105 105 ASN CA C 105 52.846 52.846 52.666 0.180 19739 2290 1 6 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.189 0.611 19739 2291 1 6 . 1 1 105 105 ASN H H 105 7.922 7.922 7.806 0.116 19739 2292 1 6 . 1 1 106 106 GLY N N 106 107.550 107.550 108.645 -1.095 19739 2293 1 6 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.429 0.491 19739 2294 1 6 . 1 1 106 106 GLY H H 106 8.036 8.036 7.842 0.194 19739 2295 1 6 . 1 1 107 107 LYS N N 107 119.970 119.970 122.232 -2.262 19739 2296 1 6 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.857 -0.847 19739 2297 1 6 . 1 1 107 107 LYS H H 107 7.716 7.716 7.693 0.023 19739 2298 1 6 . 1 1 108 108 GLU N N 108 125.660 125.660 123.749 1.911 19739 2299 1 6 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.750 -0.760 19739 2300 1 6 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.007 1.517 19739 2301 1 6 . 1 1 108 108 GLU CB C 108 32.080 32.080 33.818 -1.738 19739 2302 1 6 . 1 1 108 108 GLU H H 108 8.706 8.706 8.515 0.191 19739 2303 1 6 . 1 1 109 109 THR N N 109 121.300 121.300 112.364 8.936 19739 2304 1 6 . 1 1 109 109 THR HA H 109 4.485 4.485 4.537 -0.052 19739 2305 1 6 . 1 1 109 109 THR CA C 109 62.448 62.448 61.082 1.366 19739 2306 1 6 . 1 1 109 109 THR CB C 109 70.670 70.670 70.475 0.195 19739 2307 1 6 . 1 1 109 109 THR H H 109 9.059 9.059 8.499 0.560 19739 2308 1 6 . 1 1 110 110 LYS N N 110 127.017 127.017 127.869 -0.852 19739 2309 1 6 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.923 -0.460 19739 2310 1 6 . 1 1 110 110 LYS H H 110 8.776 8.776 8.617 0.159 19739 2311 1 6 . 1 1 111 111 SER HA H 111 4.628 4.628 4.593 0.035 19739 2312 1 6 . 1 1 111 111 SER CA C 111 65.621 65.621 57.055 8.566 19739 2313 1 6 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.476 -0.944 19739 2314 1 6 . 1 1 112 112 ASN CA C 112 56.368 56.368 53.152 3.216 19739 2315 1 6 . 1 1 113 113 TYR N N 113 121.350 121.350 123.081 -1.731 19739 2316 1 6 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.960 0.636 19739 2317 1 6 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.098 -0.377 19739 2318 1 6 . 1 1 113 113 TYR H H 113 9.582 9.582 8.950 0.632 19739 2319 1 6 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.873 0.390 19739 2320 1 6 . 1 1 114 114 ARG CA C 114 53.811 53.811 53.989 -0.178 19739 2321 1 6 . 1 1 115 115 VAL N N 115 128.860 128.860 126.570 2.290 19739 2322 1 6 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.546 0.566 19739 2323 1 6 . 1 1 115 115 VAL CB C 115 33.829 33.829 31.990 1.839 19739 2324 1 6 . 1 1 115 115 VAL H H 115 9.299 9.299 7.770 1.529 19739 2325 1 6 . 1 1 116 116 ARG N N 116 128.100 128.100 127.188 0.912 19739 2326 1 6 . 1 1 116 116 ARG HA H 116 4.945 4.945 5.182 -0.237 19739 2327 1 6 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.773 0.448 19739 2328 1 6 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.486 0.531 19739 2329 1 6 . 1 1 116 116 ARG H H 116 8.728 8.728 9.077 -0.349 19739 2330 1 6 . 1 1 117 117 VAL N N 117 120.340 120.340 121.636 -1.296 19739 2331 1 6 . 1 1 117 117 VAL HA H 117 5.019 5.019 5.060 -0.041 19739 2332 1 6 . 1 1 117 117 VAL CA C 117 60.524 60.524 59.854 0.670 19739 2333 1 6 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.023 -0.378 19739 2334 1 6 . 1 1 117 117 VAL H H 117 9.226 9.226 9.027 0.199 19739 2335 1 6 . 1 1 118 118 TYR N N 118 122.880 122.880 120.033 2.847 19739 2336 1 6 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.365 0.385 19739 2337 1 6 . 1 1 118 118 TYR CA C 118 56.857 56.857 60.946 -4.089 19739 2338 1 6 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.896 2.195 19739 2339 1 6 . 1 1 118 118 TYR H H 118 8.668 8.668 7.918 0.750 19739 2340 1 6 . 1 1 119 119 GLN N N 119 121.740 121.740 118.338 3.402 19739 2341 1 6 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.583 -0.235 19739 2342 1 6 . 1 1 119 119 GLN CA C 119 54.957 54.957 54.772 0.185 19739 2343 1 6 . 1 1 119 119 GLN CB C 119 30.303 30.303 28.241 2.062 19739 2344 1 6 . 1 1 119 119 GLN H H 119 8.351 8.351 8.207 0.144 19739 2345 1 6 . 1 1 120 120 ILE N N 120 123.720 123.720 119.583 4.137 19739 2346 1 6 . 1 1 120 120 ILE H H 120 8.034 8.034 8.025 0.009 19739 2347 1 7 . 1 1 24 24 GLN N N 24 121.380 121.380 121.875 -0.495 19739 2348 1 7 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.435 0.059 19739 2349 1 7 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.318 0.648 19739 2350 1 7 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.960 0.175 19739 2351 1 7 . 1 1 24 24 GLN H H 24 8.313 8.313 8.226 0.087 19739 2352 1 7 . 1 1 25 25 ASN N N 25 125.370 125.370 121.262 4.108 19739 2353 1 7 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.732 -0.362 19739 2354 1 7 . 1 1 25 25 ASN CA C 25 53.735 53.735 52.444 1.291 19739 2355 1 7 . 1 1 25 25 ASN CB C 25 39.355 39.355 40.028 -0.673 19739 2356 1 7 . 1 1 25 25 ASN H H 25 8.962 8.962 8.656 0.306 19739 2357 1 7 . 1 1 26 26 ILE N N 26 126.350 126.350 124.271 2.079 19739 2358 1 7 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.447 0.109 19739 2359 1 7 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.461 -2.008 19739 2360 1 7 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.356 -1.419 19739 2361 1 7 . 1 1 26 26 ILE H H 26 9.208 9.208 9.073 0.135 19739 2362 1 7 . 1 1 27 27 THR N N 27 122.550 122.550 123.081 -0.531 19739 2363 1 7 . 1 1 27 27 THR HA H 27 5.144 5.144 4.786 0.358 19739 2364 1 7 . 1 1 27 27 THR CA C 27 60.949 60.949 62.214 -1.264 19739 2365 1 7 . 1 1 27 27 THR CB C 27 69.931 69.931 68.730 1.201 19739 2366 1 7 . 1 1 27 27 THR H H 27 8.652 8.652 8.528 0.124 19739 2367 1 7 . 1 1 28 28 ALA N N 28 129.260 129.260 130.233 -0.973 19739 2368 1 7 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.821 -0.151 19739 2369 1 7 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.357 -0.123 19739 2370 1 7 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.153 1.088 19739 2371 1 7 . 1 1 28 28 ALA H H 28 8.965 8.965 9.021 -0.056 19739 2372 1 7 . 1 1 29 29 ARG N N 29 120.870 120.870 119.174 1.696 19739 2373 1 7 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.929 -0.580 19739 2374 1 7 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.555 0.483 19739 2375 1 7 . 1 1 29 29 ARG CB C 29 31.464 31.464 33.100 -1.636 19739 2376 1 7 . 1 1 29 29 ARG H H 29 8.248 8.248 8.716 -0.468 19739 2377 1 7 . 1 1 30 30 ILE N N 30 122.830 122.830 121.919 0.911 19739 2378 1 7 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.465 -0.949 19739 2379 1 7 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.837 1.002 19739 2380 1 7 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.636 0.663 19739 2381 1 7 . 1 1 30 30 ILE H H 30 8.173 8.173 8.705 -0.532 19739 2382 1 7 . 1 1 31 31 GLY N N 31 114.180 114.180 114.287 -0.107 19739 2383 1 7 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.973 -0.180 19739 2384 1 7 . 1 1 31 31 GLY H H 31 9.525 9.525 9.115 0.410 19739 2385 1 7 . 1 1 32 32 GLU N N 32 120.550 120.550 122.426 -1.876 19739 2386 1 7 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.769 0.010 19739 2387 1 7 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.869 2.354 19739 2388 1 7 . 1 1 32 32 GLU CB C 32 29.952 29.952 30.999 -1.047 19739 2389 1 7 . 1 1 32 32 GLU H H 32 7.634 7.634 7.675 -0.041 19739 2390 1 7 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.102 -0.539 19739 2391 1 7 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.634 -0.693 19739 2392 1 7 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.477 0.423 19739 2393 1 7 . 1 1 34 34 LEU N N 34 121.680 121.680 125.061 -3.381 19739 2394 1 7 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.851 -0.323 19739 2395 1 7 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.636 -0.460 19739 2396 1 7 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.673 0.644 19739 2397 1 7 . 1 1 34 34 LEU H H 34 8.519 8.519 8.597 -0.078 19739 2398 1 7 . 1 1 35 35 VAL N N 35 124.430 124.430 125.378 -0.948 19739 2399 1 7 . 1 1 35 35 VAL HA H 35 5.000 5.000 5.028 -0.028 19739 2400 1 7 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.256 -0.849 19739 2401 1 7 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.748 0.766 19739 2402 1 7 . 1 1 35 35 VAL H H 35 8.066 8.066 8.357 -0.291 19739 2403 1 7 . 1 1 36 36 LEU N N 36 126.670 126.670 130.045 -3.375 19739 2404 1 7 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.643 -0.253 19739 2405 1 7 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.761 -1.599 19739 2406 1 7 . 1 1 36 36 LEU H H 36 8.883 8.883 8.951 -0.068 19739 2407 1 7 . 1 1 37 37 LYS N N 37 121.220 121.220 122.626 -1.406 19739 2408 1 7 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.874 -0.338 19739 2409 1 7 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.839 0.827 19739 2410 1 7 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.203 0.407 19739 2411 1 7 . 1 1 37 37 LYS H H 37 8.399 8.399 8.379 0.020 19739 2412 1 7 . 1 1 38 38 CYS N N 38 126.370 126.370 125.488 0.882 19739 2413 1 7 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.788 -0.095 19739 2414 1 7 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.401 -1.968 19739 2415 1 7 . 1 1 38 38 CYS CB C 38 44.031 44.031 28.425 15.606 19739 2416 1 7 . 1 1 38 38 CYS H H 38 8.878 8.878 8.684 0.194 19739 2417 1 7 . 1 1 39 39 LYS N N 39 126.170 126.170 128.561 -2.391 19739 2418 1 7 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.449 -0.555 19739 2419 1 7 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.180 2.437 19739 2420 1 7 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.463 -1.496 19739 2421 1 7 . 1 1 39 39 LYS H H 39 7.686 7.686 8.508 -0.822 19739 2422 1 7 . 1 1 40 40 GLY N N 40 108.770 108.770 105.895 2.875 19739 2423 1 7 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.201 -0.109 19739 2424 1 7 . 1 1 40 40 GLY H H 40 8.228 8.228 8.556 -0.328 19739 2425 1 7 . 1 1 41 41 ALA N N 41 122.190 122.190 125.207 -3.017 19739 2426 1 7 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.652 -0.310 19739 2427 1 7 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.571 -0.604 19739 2428 1 7 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.583 -0.684 19739 2429 1 7 . 1 1 41 41 ALA H H 41 7.403 7.403 8.133 -0.730 19739 2430 1 7 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.559 -0.035 19739 2431 1 7 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.978 0.960 19739 2432 1 7 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.657 0.082 19739 2433 1 7 . 1 1 43 43 LYS N N 43 118.900 118.900 119.813 -0.913 19739 2434 1 7 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.278 -0.170 19739 2435 1 7 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.443 1.426 19739 2436 1 7 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.767 2.456 19739 2437 1 7 . 1 1 43 43 LYS H H 43 8.447 8.447 8.474 -0.027 19739 2438 1 7 . 1 1 44 44 LYS N N 44 115.950 115.950 120.068 -4.118 19739 2439 1 7 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.660 -0.039 19739 2440 1 7 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.377 -0.391 19739 2441 1 7 . 1 1 44 44 LYS H H 44 7.377 7.377 7.669 -0.292 19739 2442 1 7 . 1 1 46 46 PRO CB C 46 34.657 34.657 32.069 2.588 19739 2443 1 7 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.550 -0.192 19739 2444 1 7 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.342 0.665 19739 2445 1 7 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.682 2.018 19739 2446 1 7 . 1 1 48 48 ARG N N 48 125.070 125.070 119.965 5.105 19739 2447 1 7 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.255 -0.141 19739 2448 1 7 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.388 -10.798 19739 2449 1 7 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.938 -1.438 19739 2450 1 7 . 1 1 48 48 ARG H H 48 9.071 9.071 8.601 0.470 19739 2451 1 7 . 1 1 49 49 LEU N N 49 121.150 121.150 125.554 -4.404 19739 2452 1 7 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.789 0.476 19739 2453 1 7 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.029 0.280 19739 2454 1 7 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.239 0.609 19739 2455 1 7 . 1 1 49 49 LEU H H 49 7.798 7.798 8.254 -0.456 19739 2456 1 7 . 1 1 50 50 GLU N N 50 120.200 120.200 123.088 -2.888 19739 2457 1 7 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.585 0.150 19739 2458 1 7 . 1 1 50 50 GLU CA C 50 55.947 55.947 54.107 1.840 19739 2459 1 7 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.801 5.436 19739 2460 1 7 . 1 1 50 50 GLU H H 50 8.380 8.380 8.400 -0.020 19739 2461 1 7 . 1 1 51 51 TRP N N 51 125.560 125.560 126.610 -1.050 19739 2462 1 7 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.449 1.053 19739 2463 1 7 . 1 1 51 51 TRP CA C 51 56.720 56.720 60.286 -3.567 19739 2464 1 7 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.387 2.133 19739 2465 1 7 . 1 1 51 51 TRP H H 51 9.161 9.161 8.360 0.801 19739 2466 1 7 . 1 1 52 52 LYS N N 52 120.150 120.150 124.931 -4.781 19739 2467 1 7 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.663 0.909 19739 2468 1 7 . 1 1 52 52 LYS CA C 52 54.956 54.956 55.510 -0.554 19739 2469 1 7 . 1 1 52 52 LYS CB C 52 36.900 36.900 33.129 3.771 19739 2470 1 7 . 1 1 52 52 LYS H H 52 9.775 9.775 8.127 1.648 19739 2471 1 7 . 1 1 53 53 LEU N N 53 122.450 122.450 120.549 1.901 19739 2472 1 7 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.468 0.898 19739 2473 1 7 . 1 1 53 53 LEU CA C 53 54.321 54.321 54.556 -0.235 19739 2474 1 7 . 1 1 53 53 LEU H H 53 9.238 9.238 7.820 1.418 19739 2475 1 7 . 1 1 54 54 ASN N N 54 123.200 123.200 118.589 4.611 19739 2476 1 7 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.930 -0.153 19739 2477 1 7 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.968 0.973 19739 2478 1 7 . 1 1 54 54 ASN H H 54 8.913 8.913 8.799 0.114 19739 2479 1 7 . 1 1 55 55 THR N N 55 112.570 112.570 116.575 -4.005 19739 2480 1 7 . 1 1 55 55 THR HA H 55 5.063 5.063 4.642 0.421 19739 2481 1 7 . 1 1 55 55 THR CA C 55 68.927 68.927 60.209 8.718 19739 2482 1 7 . 1 1 55 55 THR H H 55 8.074 8.074 7.968 0.106 19739 2483 1 7 . 1 1 56 56 GLY N N 56 108.640 108.640 110.069 -1.429 19739 2484 1 7 . 1 1 56 56 GLY CA C 56 47.301 47.301 46.311 0.990 19739 2485 1 7 . 1 1 56 56 GLY H H 56 7.982 7.982 8.654 -0.672 19739 2486 1 7 . 1 1 57 57 ARG N N 57 116.810 116.810 120.291 -3.481 19739 2487 1 7 . 1 1 57 57 ARG H H 57 7.955 7.955 8.467 -0.512 19739 2488 1 7 . 1 1 58 58 THR N N 58 108.470 108.470 114.032 -5.562 19739 2489 1 7 . 1 1 58 58 THR HA H 58 4.495 4.495 4.235 0.260 19739 2490 1 7 . 1 1 58 58 THR CA C 58 61.154 61.154 63.296 -2.142 19739 2491 1 7 . 1 1 58 58 THR CB C 58 70.200 70.200 68.369 1.831 19739 2492 1 7 . 1 1 58 58 THR H H 58 7.284 7.284 8.053 -0.769 19739 2493 1 7 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.549 -0.443 19739 2494 1 7 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.343 -0.043 19739 2495 1 7 . 1 1 60 60 ALA N N 60 120.840 120.840 123.904 -3.064 19739 2496 1 7 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.533 -0.464 19739 2497 1 7 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.596 0.095 19739 2498 1 7 . 1 1 60 60 ALA CB C 60 19.620 19.620 17.582 2.038 19739 2499 1 7 . 1 1 60 60 ALA H H 60 7.887 7.887 8.340 -0.453 19739 2500 1 7 . 1 1 61 61 TRP N N 61 118.780 118.780 122.484 -3.704 19739 2501 1 7 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.590 -0.489 19739 2502 1 7 . 1 1 61 61 TRP CA C 61 58.270 58.270 56.840 1.429 19739 2503 1 7 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.335 -1.876 19739 2504 1 7 . 1 1 61 61 TRP H H 61 7.621 7.621 7.892 -0.271 19739 2505 1 7 . 1 1 62 62 LYS N N 62 124.070 124.070 123.871 0.199 19739 2506 1 7 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.732 1.073 19739 2507 1 7 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.014 -0.912 19739 2508 1 7 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.196 -2.171 19739 2509 1 7 . 1 1 62 62 LYS H H 62 9.201 9.201 7.795 1.406 19739 2510 1 7 . 1 1 63 63 VAL N N 63 120.380 120.380 123.630 -3.250 19739 2511 1 7 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.885 1.146 19739 2512 1 7 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.580 -1.243 19739 2513 1 7 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.461 2.249 19739 2514 1 7 . 1 1 63 63 VAL H H 63 9.268 9.268 7.977 1.291 19739 2515 1 7 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.489 0.161 19739 2516 1 7 . 1 1 64 64 LEU CA C 64 53.976 53.976 54.197 -0.221 19739 2517 1 7 . 1 1 64 64 LEU CB C 64 43.868 43.868 42.742 1.126 19739 2518 1 7 . 1 1 65 65 SER N N 65 117.960 117.960 116.000 1.960 19739 2519 1 7 . 1 1 65 65 SER HA H 65 5.092 5.092 4.822 0.270 19739 2520 1 7 . 1 1 65 65 SER CA C 65 55.790 55.790 54.972 0.818 19739 2521 1 7 . 1 1 65 65 SER CB C 65 64.408 64.408 64.958 -0.550 19739 2522 1 7 . 1 1 65 65 SER H H 65 8.654 8.654 8.631 0.023 19739 2523 1 7 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.627 -0.278 19739 2524 1 7 . 1 1 66 66 PRO CA C 66 64.551 64.551 63.800 0.751 19739 2525 1 7 . 1 1 67 67 GLN N N 67 116.960 116.960 117.363 -0.403 19739 2526 1 7 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.466 -0.132 19739 2527 1 7 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.846 0.758 19739 2528 1 7 . 1 1 67 67 GLN CB C 67 28.733 28.733 31.540 -2.807 19739 2529 1 7 . 1 1 67 67 GLN H H 67 8.212 8.212 7.890 0.322 19739 2530 1 7 . 1 1 68 68 GLY N N 68 108.700 108.700 107.815 0.885 19739 2531 1 7 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.470 1.294 19739 2532 1 7 . 1 1 68 68 GLY H H 68 8.069 8.069 7.978 0.091 19739 2533 1 7 . 1 1 69 69 GLY N N 69 109.370 109.370 105.222 4.148 19739 2534 1 7 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.281 0.772 19739 2535 1 7 . 1 1 69 69 GLY H H 69 8.354 8.354 8.395 -0.041 19739 2536 1 7 . 1 1 70 70 GLY N N 70 109.700 109.700 105.634 4.066 19739 2537 1 7 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.901 0.177 19739 2538 1 7 . 1 1 70 70 GLY H H 70 8.428 8.428 7.898 0.530 19739 2539 1 7 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.338 0.022 19739 2540 1 7 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.431 -0.107 19739 2541 1 7 . 1 1 71 71 PRO CB C 71 32.100 32.100 32.242 -0.142 19739 2542 1 7 . 1 1 72 72 TRP N N 72 118.420 118.420 121.513 -3.093 19739 2543 1 7 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.501 -0.103 19739 2544 1 7 . 1 1 72 72 TRP CA C 72 59.360 59.360 58.706 0.654 19739 2545 1 7 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.303 -0.634 19739 2546 1 7 . 1 1 72 72 TRP H H 72 8.204 8.204 8.105 0.099 19739 2547 1 7 . 1 1 73 73 ASP N N 73 119.400 119.400 119.043 0.357 19739 2548 1 7 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.516 -0.091 19739 2549 1 7 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.339 0.707 19739 2550 1 7 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.749 -0.128 19739 2551 1 7 . 1 1 73 73 ASP H H 73 7.686 7.686 7.764 -0.078 19739 2552 1 7 . 1 1 74 74 SER N N 74 110.610 110.610 113.382 -2.772 19739 2553 1 7 . 1 1 74 74 SER HA H 74 4.250 4.250 4.350 -0.100 19739 2554 1 7 . 1 1 74 74 SER CA C 74 59.125 59.125 59.791 -0.666 19739 2555 1 7 . 1 1 74 74 SER H H 74 7.563 7.563 7.594 -0.031 19739 2556 1 7 . 1 1 75 75 VAL N N 75 119.230 119.230 119.469 -0.239 19739 2557 1 7 . 1 1 75 75 VAL HA H 75 3.799 3.799 3.957 -0.158 19739 2558 1 7 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.792 0.865 19739 2559 1 7 . 1 1 75 75 VAL H H 75 7.740 7.740 7.265 0.475 19739 2560 1 7 . 1 1 76 76 ALA N N 76 120.240 120.240 119.882 0.358 19739 2561 1 7 . 1 1 76 76 ALA CA C 76 51.869 51.869 50.063 1.806 19739 2562 1 7 . 1 1 76 76 ALA H H 76 7.994 7.994 7.627 0.367 19739 2563 1 7 . 1 1 77 77 ARG N N 77 119.730 119.730 122.689 -2.959 19739 2564 1 7 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.666 0.246 19739 2565 1 7 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.437 -1.756 19739 2566 1 7 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.763 -12.058 19739 2567 1 7 . 1 1 77 77 ARG H H 77 8.796 8.796 7.899 0.897 19739 2568 1 7 . 1 1 78 78 VAL N N 78 123.460 123.460 125.330 -1.870 19739 2569 1 7 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.775 -0.424 19739 2570 1 7 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.764 0.456 19739 2571 1 7 . 1 1 78 78 VAL H H 78 8.583 8.583 8.447 0.136 19739 2572 1 7 . 1 1 79 79 LEU N N 79 128.990 128.990 129.591 -0.601 19739 2573 1 7 . 1 1 79 79 LEU CA C 79 53.812 53.812 52.022 1.790 19739 2574 1 7 . 1 1 79 79 LEU H H 79 9.319 9.319 9.108 0.211 19739 2575 1 7 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.359 0.038 19739 2576 1 7 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.150 -1.639 19739 2577 1 7 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.595 0.105 19739 2578 1 7 . 1 1 81 81 ASN N N 81 109.840 109.840 114.137 -4.297 19739 2579 1 7 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.689 -0.116 19739 2580 1 7 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.592 -0.427 19739 2581 1 7 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.948 -0.748 19739 2582 1 7 . 1 1 81 81 ASN H H 81 7.297 7.297 8.029 -0.732 19739 2583 1 7 . 1 1 82 82 GLY N N 82 108.850 108.850 108.192 0.658 19739 2584 1 7 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.235 0.520 19739 2585 1 7 . 1 1 82 82 GLY H H 82 8.579 8.579 8.368 0.211 19739 2586 1 7 . 1 1 83 83 SER N N 83 115.150 115.150 115.442 -0.292 19739 2587 1 7 . 1 1 83 83 SER HA H 83 4.824 4.824 5.540 -0.716 19739 2588 1 7 . 1 1 83 83 SER CA C 83 60.327 60.327 57.460 2.867 19739 2589 1 7 . 1 1 83 83 SER H H 83 7.775 7.775 7.618 0.157 19739 2590 1 7 . 1 1 84 84 LEU N N 84 123.650 123.650 125.401 -1.751 19739 2591 1 7 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.035 -0.756 19739 2592 1 7 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.830 -0.209 19739 2593 1 7 . 1 1 84 84 LEU CB C 84 42.079 42.079 45.182 -3.103 19739 2594 1 7 . 1 1 84 84 LEU H H 84 8.781 8.781 9.248 -0.467 19739 2595 1 7 . 1 1 85 85 PHE N N 85 126.120 126.120 128.922 -2.802 19739 2596 1 7 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.085 0.283 19739 2597 1 7 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.017 -0.824 19739 2598 1 7 . 1 1 85 85 PHE CB C 85 46.443 46.443 40.948 5.495 19739 2599 1 7 . 1 1 85 85 PHE H H 85 8.991 8.991 9.261 -0.270 19739 2600 1 7 . 1 1 86 86 LEU N N 86 129.500 129.500 129.485 0.015 19739 2601 1 7 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.531 2.633 19739 2602 1 7 . 1 1 86 86 LEU H H 86 8.682 8.682 8.820 -0.138 19739 2603 1 7 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.782 -0.373 19739 2604 1 7 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.148 -0.047 19739 2605 1 7 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.785 0.259 19739 2606 1 7 . 1 1 88 88 ALA N N 88 115.010 115.010 117.200 -2.190 19739 2607 1 7 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.345 -0.737 19739 2608 1 7 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.350 0.277 19739 2609 1 7 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.589 -1.689 19739 2610 1 7 . 1 1 88 88 ALA H H 88 7.151 7.151 7.516 -0.365 19739 2611 1 7 . 1 1 89 89 VAL N N 89 124.890 124.890 124.899 -0.009 19739 2612 1 7 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.334 -0.541 19739 2613 1 7 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.605 1.554 19739 2614 1 7 . 1 1 89 89 VAL CB C 89 31.904 31.904 31.799 0.105 19739 2615 1 7 . 1 1 89 89 VAL H H 89 8.066 8.066 8.011 0.055 19739 2616 1 7 . 1 1 90 90 GLY N N 90 116.780 116.780 116.074 0.706 19739 2617 1 7 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.668 -1.175 19739 2618 1 7 . 1 1 90 90 GLY H H 90 9.715 9.715 9.433 0.282 19739 2619 1 7 . 1 1 91 91 ILE N N 91 118.490 118.490 115.305 3.185 19739 2620 1 7 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.382 -0.580 19739 2621 1 7 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.623 1.157 19739 2622 1 7 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.289 0.111 19739 2623 1 7 . 1 1 91 91 ILE H H 91 8.596 8.596 8.078 0.518 19739 2624 1 7 . 1 1 92 92 GLN N N 92 116.720 116.720 120.180 -3.460 19739 2625 1 7 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.241 -1.010 19739 2626 1 7 . 1 1 92 92 GLN H H 92 8.682 8.682 8.207 0.475 19739 2627 1 7 . 1 1 93 93 ASP N N 93 115.890 115.890 117.049 -1.159 19739 2628 1 7 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.801 -0.170 19739 2629 1 7 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.450 1.259 19739 2630 1 7 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.817 1.083 19739 2631 1 7 . 1 1 93 93 ASP H H 93 7.644 7.644 8.367 -0.723 19739 2632 1 7 . 1 1 94 94 GLU N N 94 112.880 112.880 120.392 -7.512 19739 2633 1 7 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.118 -0.027 19739 2634 1 7 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.728 0.998 19739 2635 1 7 . 1 1 94 94 GLU CB C 94 30.544 30.544 29.401 1.143 19739 2636 1 7 . 1 1 94 94 GLU H H 94 6.666 6.666 7.882 -1.216 19739 2637 1 7 . 1 1 95 95 GLY N N 95 109.750 109.750 109.931 -0.181 19739 2638 1 7 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.846 0.213 19739 2639 1 7 . 1 1 95 95 GLY H H 95 8.024 8.024 7.607 0.417 19739 2640 1 7 . 1 1 96 96 ILE N N 96 119.990 119.990 120.711 -0.721 19739 2641 1 7 . 1 1 96 96 ILE HA H 96 5.361 5.361 4.852 0.509 19739 2642 1 7 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.402 -0.767 19739 2643 1 7 . 1 1 96 96 ILE CB C 96 40.300 40.300 37.603 2.697 19739 2644 1 7 . 1 1 96 96 ILE H H 96 7.658 7.658 7.638 0.020 19739 2645 1 7 . 1 1 97 97 PHE N N 97 124.050 124.050 126.225 -2.175 19739 2646 1 7 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.767 0.545 19739 2647 1 7 . 1 1 97 97 PHE CA C 97 56.466 56.466 58.022 -1.556 19739 2648 1 7 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.690 2.854 19739 2649 1 7 . 1 1 97 97 PHE H H 97 9.194 9.194 8.527 0.667 19739 2650 1 7 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.158 0.584 19739 2651 1 7 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.328 -0.827 19739 2652 1 7 . 1 1 98 98 ARG CB C 98 35.283 35.283 33.371 1.912 19739 2653 1 7 . 1 1 99 99 CYS N N 99 121.320 121.320 125.846 -4.526 19739 2654 1 7 . 1 1 99 99 CYS HA H 99 4.905 4.905 3.936 0.969 19739 2655 1 7 . 1 1 99 99 CYS CA C 99 54.199 54.199 57.699 -3.500 19739 2656 1 7 . 1 1 99 99 CYS H H 99 8.625 8.625 8.278 0.347 19739 2657 1 7 . 1 1 100 100 GLN N N 100 127.220 127.220 124.395 2.825 19739 2658 1 7 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.437 0.405 19739 2659 1 7 . 1 1 100 100 GLN CB C 100 31.600 31.600 31.883 -0.282 19739 2660 1 7 . 1 1 100 100 GLN H H 100 8.390 8.390 8.372 0.018 19739 2661 1 7 . 1 1 101 101 ALA N N 101 126.770 126.770 128.337 -1.567 19739 2662 1 7 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.506 -0.231 19739 2663 1 7 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.957 -0.405 19739 2664 1 7 . 1 1 101 101 ALA CB C 101 22.877 22.877 21.541 1.337 19739 2665 1 7 . 1 1 101 101 ALA H H 101 8.623 8.623 8.492 0.131 19739 2666 1 7 . 1 1 102 102 MET N N 102 119.560 119.560 122.038 -2.478 19739 2667 1 7 . 1 1 102 102 MET HA H 102 4.959 4.959 5.134 -0.175 19739 2668 1 7 . 1 1 102 102 MET CA C 102 54.225 54.225 53.713 0.512 19739 2669 1 7 . 1 1 102 102 MET H H 102 8.085 8.085 7.926 0.159 19739 2670 1 7 . 1 1 103 103 ASN N N 103 122.280 122.280 123.265 -0.985 19739 2671 1 7 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.926 -0.070 19739 2672 1 7 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.468 -0.883 19739 2673 1 7 . 1 1 103 103 ASN CB C 103 39.479 39.479 41.034 -1.555 19739 2674 1 7 . 1 1 103 103 ASN H H 103 8.370 8.370 8.373 -0.003 19739 2675 1 7 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.173 -0.063 19739 2676 1 7 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.085 0.548 19739 2677 1 7 . 1 1 104 104 ARG CB C 104 29.675 29.675 30.071 -0.396 19739 2678 1 7 . 1 1 105 105 ASN N N 105 115.430 115.430 116.578 -1.148 19739 2679 1 7 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.742 0.045 19739 2680 1 7 . 1 1 105 105 ASN CA C 105 52.846 52.846 53.000 -0.154 19739 2681 1 7 . 1 1 105 105 ASN CB C 105 38.800 38.800 39.314 -0.514 19739 2682 1 7 . 1 1 105 105 ASN H H 105 7.922 7.922 8.186 -0.264 19739 2683 1 7 . 1 1 106 106 GLY N N 106 107.550 107.550 108.091 -0.541 19739 2684 1 7 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.416 0.504 19739 2685 1 7 . 1 1 106 106 GLY H H 106 8.036 8.036 7.920 0.116 19739 2686 1 7 . 1 1 107 107 LYS N N 107 119.970 119.970 121.649 -1.679 19739 2687 1 7 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.065 -0.055 19739 2688 1 7 . 1 1 107 107 LYS H H 107 7.716 7.716 7.551 0.165 19739 2689 1 7 . 1 1 108 108 GLU N N 108 125.660 125.660 123.380 2.280 19739 2690 1 7 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.275 -0.285 19739 2691 1 7 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.829 0.695 19739 2692 1 7 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.421 -0.341 19739 2693 1 7 . 1 1 108 108 GLU H H 108 8.706 8.706 8.578 0.128 19739 2694 1 7 . 1 1 109 109 THR N N 109 121.300 121.300 112.800 8.500 19739 2695 1 7 . 1 1 109 109 THR HA H 109 4.485 4.485 4.435 0.050 19739 2696 1 7 . 1 1 109 109 THR CA C 109 62.448 62.448 61.413 1.036 19739 2697 1 7 . 1 1 109 109 THR CB C 109 70.670 70.670 70.760 -0.090 19739 2698 1 7 . 1 1 109 109 THR H H 109 9.059 9.059 8.243 0.816 19739 2699 1 7 . 1 1 110 110 LYS N N 110 127.017 127.017 124.948 2.069 19739 2700 1 7 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.246 0.217 19739 2701 1 7 . 1 1 110 110 LYS H H 110 8.776 8.776 8.416 0.359 19739 2702 1 7 . 1 1 111 111 SER HA H 111 4.628 4.628 4.569 0.059 19739 2703 1 7 . 1 1 111 111 SER CA C 111 65.621 65.621 57.671 7.950 19739 2704 1 7 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.505 -0.973 19739 2705 1 7 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.656 3.712 19739 2706 1 7 . 1 1 113 113 TYR N N 113 121.350 121.350 123.009 -1.659 19739 2707 1 7 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.940 0.656 19739 2708 1 7 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.437 -0.716 19739 2709 1 7 . 1 1 113 113 TYR H H 113 9.582 9.582 9.218 0.364 19739 2710 1 7 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.844 0.419 19739 2711 1 7 . 1 1 114 114 ARG CA C 114 53.811 53.811 53.813 -0.002 19739 2712 1 7 . 1 1 115 115 VAL N N 115 128.860 128.860 126.225 2.635 19739 2713 1 7 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.949 0.163 19739 2714 1 7 . 1 1 115 115 VAL CB C 115 33.829 33.829 31.645 2.184 19739 2715 1 7 . 1 1 115 115 VAL H H 115 9.299 9.299 7.867 1.432 19739 2716 1 7 . 1 1 116 116 ARG N N 116 128.100 128.100 128.031 0.069 19739 2717 1 7 . 1 1 116 116 ARG HA H 116 4.945 4.945 4.833 0.112 19739 2718 1 7 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.932 0.289 19739 2719 1 7 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.689 0.328 19739 2720 1 7 . 1 1 116 116 ARG H H 116 8.728 8.728 9.071 -0.343 19739 2721 1 7 . 1 1 117 117 VAL N N 117 120.340 120.340 121.731 -1.391 19739 2722 1 7 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.894 0.125 19739 2723 1 7 . 1 1 117 117 VAL CA C 117 60.524 60.524 59.973 0.551 19739 2724 1 7 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.296 -0.651 19739 2725 1 7 . 1 1 117 117 VAL H H 117 9.226 9.226 8.082 1.143 19739 2726 1 7 . 1 1 118 118 TYR N N 118 122.880 122.880 120.839 2.041 19739 2727 1 7 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.287 0.463 19739 2728 1 7 . 1 1 118 118 TYR CA C 118 56.857 56.857 61.602 -4.745 19739 2729 1 7 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.918 2.173 19739 2730 1 7 . 1 1 118 118 TYR H H 118 8.668 8.668 7.978 0.690 19739 2731 1 7 . 1 1 119 119 GLN N N 119 121.740 121.740 119.099 2.641 19739 2732 1 7 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.429 -0.081 19739 2733 1 7 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.474 -0.517 19739 2734 1 7 . 1 1 119 119 GLN CB C 119 30.303 30.303 27.698 2.605 19739 2735 1 7 . 1 1 119 119 GLN H H 119 8.351 8.351 8.185 0.166 19739 2736 1 7 . 1 1 120 120 ILE N N 120 123.720 123.720 121.246 2.474 19739 2737 1 7 . 1 1 120 120 ILE H H 120 8.034 8.034 7.785 0.249 19739 2738 1 8 . 1 1 24 24 GLN N N 24 121.380 121.380 122.975 -1.595 19739 2739 1 8 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.383 0.111 19739 2740 1 8 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.345 0.621 19739 2741 1 8 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.425 0.710 19739 2742 1 8 . 1 1 24 24 GLN H H 24 8.313 8.313 8.314 -0.001 19739 2743 1 8 . 1 1 25 25 ASN N N 25 125.370 125.370 122.125 3.245 19739 2744 1 8 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.575 -0.205 19739 2745 1 8 . 1 1 25 25 ASN CA C 25 53.735 53.735 52.809 0.926 19739 2746 1 8 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.650 -0.295 19739 2747 1 8 . 1 1 25 25 ASN H H 25 8.962 8.962 8.674 0.288 19739 2748 1 8 . 1 1 26 26 ILE N N 26 126.350 126.350 125.566 0.784 19739 2749 1 8 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.431 0.124 19739 2750 1 8 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.750 -2.297 19739 2751 1 8 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.547 -1.610 19739 2752 1 8 . 1 1 26 26 ILE H H 26 9.208 9.208 9.099 0.109 19739 2753 1 8 . 1 1 27 27 THR N N 27 122.550 122.550 120.617 1.933 19739 2754 1 8 . 1 1 27 27 THR HA H 27 5.144 5.144 5.037 0.107 19739 2755 1 8 . 1 1 27 27 THR CA C 27 60.949 60.949 60.757 0.192 19739 2756 1 8 . 1 1 27 27 THR CB C 27 69.931 69.931 69.299 0.632 19739 2757 1 8 . 1 1 27 27 THR H H 27 8.652 8.652 8.322 0.330 19739 2758 1 8 . 1 1 28 28 ALA N N 28 129.260 129.260 127.963 1.297 19739 2759 1 8 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.716 -0.046 19739 2760 1 8 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.470 -0.236 19739 2761 1 8 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.010 1.231 19739 2762 1 8 . 1 1 28 28 ALA H H 28 8.965 8.965 8.698 0.267 19739 2763 1 8 . 1 1 29 29 ARG N N 29 120.870 120.870 119.040 1.830 19739 2764 1 8 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.910 -0.561 19739 2765 1 8 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.539 0.499 19739 2766 1 8 . 1 1 29 29 ARG CB C 29 31.464 31.464 32.665 -1.201 19739 2767 1 8 . 1 1 29 29 ARG H H 29 8.248 8.248 8.680 -0.432 19739 2768 1 8 . 1 1 30 30 ILE N N 30 122.830 122.830 121.607 1.223 19739 2769 1 8 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.624 -1.108 19739 2770 1 8 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.755 1.084 19739 2771 1 8 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.337 0.962 19739 2772 1 8 . 1 1 30 30 ILE H H 30 8.173 8.173 8.656 -0.483 19739 2773 1 8 . 1 1 31 31 GLY N N 31 114.180 114.180 114.627 -0.447 19739 2774 1 8 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.813 -0.021 19739 2775 1 8 . 1 1 31 31 GLY H H 31 9.525 9.525 9.023 0.502 19739 2776 1 8 . 1 1 32 32 GLU N N 32 120.550 120.550 122.339 -1.789 19739 2777 1 8 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.703 0.076 19739 2778 1 8 . 1 1 32 32 GLU CA C 32 55.223 55.223 53.029 2.193 19739 2779 1 8 . 1 1 32 32 GLU CB C 32 29.952 29.952 30.801 -0.849 19739 2780 1 8 . 1 1 32 32 GLU H H 32 7.634 7.634 7.657 -0.023 19739 2781 1 8 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.061 -0.498 19739 2782 1 8 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.481 -0.540 19739 2783 1 8 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.427 0.473 19739 2784 1 8 . 1 1 34 34 LEU N N 34 121.680 121.680 125.414 -3.734 19739 2785 1 8 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.797 -0.269 19739 2786 1 8 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.258 -0.083 19739 2787 1 8 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.622 0.695 19739 2788 1 8 . 1 1 34 34 LEU H H 34 8.519 8.519 8.672 -0.153 19739 2789 1 8 . 1 1 35 35 VAL N N 35 124.430 124.430 124.805 -0.375 19739 2790 1 8 . 1 1 35 35 VAL HA H 35 5.000 5.000 5.007 -0.007 19739 2791 1 8 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.321 -0.914 19739 2792 1 8 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.796 0.719 19739 2793 1 8 . 1 1 35 35 VAL H H 35 8.066 8.066 8.339 -0.273 19739 2794 1 8 . 1 1 36 36 LEU N N 36 126.670 126.670 129.779 -3.109 19739 2795 1 8 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.770 -0.380 19739 2796 1 8 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.471 -1.309 19739 2797 1 8 . 1 1 36 36 LEU H H 36 8.883 8.883 8.941 -0.058 19739 2798 1 8 . 1 1 37 37 LYS N N 37 121.220 121.220 120.762 0.458 19739 2799 1 8 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.907 -0.371 19739 2800 1 8 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.631 1.035 19739 2801 1 8 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.350 0.259 19739 2802 1 8 . 1 1 37 37 LYS H H 37 8.399 8.399 8.462 -0.063 19739 2803 1 8 . 1 1 38 38 CYS N N 38 126.370 126.370 125.720 0.650 19739 2804 1 8 . 1 1 38 38 CYS HA H 38 4.693 4.693 5.022 -0.329 19739 2805 1 8 . 1 1 38 38 CYS CA C 38 56.433 56.433 57.766 -1.333 19739 2806 1 8 . 1 1 38 38 CYS CB C 38 44.031 44.031 26.474 17.557 19739 2807 1 8 . 1 1 38 38 CYS H H 38 8.878 8.878 8.557 0.321 19739 2808 1 8 . 1 1 39 39 LYS N N 39 126.170 126.170 126.546 -0.376 19739 2809 1 8 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.380 -0.486 19739 2810 1 8 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.255 2.362 19739 2811 1 8 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.193 -1.226 19739 2812 1 8 . 1 1 39 39 LYS H H 39 7.686 7.686 8.378 -0.692 19739 2813 1 8 . 1 1 40 40 GLY N N 40 108.770 108.770 107.422 1.348 19739 2814 1 8 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.298 -0.206 19739 2815 1 8 . 1 1 40 40 GLY H H 40 8.228 8.228 8.342 -0.114 19739 2816 1 8 . 1 1 41 41 ALA N N 41 122.190 122.190 124.762 -2.572 19739 2817 1 8 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.765 -0.423 19739 2818 1 8 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.743 -0.776 19739 2819 1 8 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.620 -0.721 19739 2820 1 8 . 1 1 41 41 ALA H H 41 7.403 7.403 8.167 -0.764 19739 2821 1 8 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.553 -0.029 19739 2822 1 8 . 1 1 42 42 PRO CA C 42 62.939 62.939 62.061 0.878 19739 2823 1 8 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.643 0.096 19739 2824 1 8 . 1 1 43 43 LYS N N 43 118.900 118.900 119.557 -0.657 19739 2825 1 8 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.318 -0.210 19739 2826 1 8 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.266 1.603 19739 2827 1 8 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.825 2.398 19739 2828 1 8 . 1 1 43 43 LYS H H 43 8.447 8.447 8.503 -0.056 19739 2829 1 8 . 1 1 44 44 LYS N N 44 115.950 115.950 119.952 -4.002 19739 2830 1 8 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.653 -0.032 19739 2831 1 8 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.312 -0.327 19739 2832 1 8 . 1 1 44 44 LYS H H 44 7.377 7.377 7.494 -0.117 19739 2833 1 8 . 1 1 46 46 PRO CB C 46 34.657 34.657 32.128 2.529 19739 2834 1 8 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.530 -0.172 19739 2835 1 8 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.570 0.437 19739 2836 1 8 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.655 2.045 19739 2837 1 8 . 1 1 48 48 ARG N N 48 125.070 125.070 119.974 5.096 19739 2838 1 8 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.290 -0.176 19739 2839 1 8 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.368 -10.778 19739 2840 1 8 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.836 -1.336 19739 2841 1 8 . 1 1 48 48 ARG H H 48 9.071 9.071 8.595 0.476 19739 2842 1 8 . 1 1 49 49 LEU N N 49 121.150 121.150 126.776 -5.626 19739 2843 1 8 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.714 0.551 19739 2844 1 8 . 1 1 49 49 LEU CA C 49 54.309 54.309 53.536 0.773 19739 2845 1 8 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.134 0.714 19739 2846 1 8 . 1 1 49 49 LEU H H 49 7.798 7.798 8.786 -0.988 19739 2847 1 8 . 1 1 50 50 GLU N N 50 120.200 120.200 125.254 -5.054 19739 2848 1 8 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.401 0.334 19739 2849 1 8 . 1 1 50 50 GLU CA C 50 55.947 55.947 54.866 1.081 19739 2850 1 8 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.317 5.920 19739 2851 1 8 . 1 1 50 50 GLU H H 50 8.380 8.380 8.604 -0.224 19739 2852 1 8 . 1 1 51 51 TRP N N 51 125.560 125.560 127.416 -1.856 19739 2853 1 8 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.387 1.115 19739 2854 1 8 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.739 -3.019 19739 2855 1 8 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.359 2.161 19739 2856 1 8 . 1 1 51 51 TRP H H 51 9.161 9.161 7.970 1.191 19739 2857 1 8 . 1 1 52 52 LYS N N 52 120.150 120.150 122.704 -2.554 19739 2858 1 8 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.814 0.758 19739 2859 1 8 . 1 1 52 52 LYS CA C 52 54.956 54.956 55.000 -0.044 19739 2860 1 8 . 1 1 52 52 LYS CB C 52 36.900 36.900 36.594 0.306 19739 2861 1 8 . 1 1 52 52 LYS H H 52 9.775 9.775 7.613 2.162 19739 2862 1 8 . 1 1 53 53 LEU N N 53 122.450 122.450 114.040 8.410 19739 2863 1 8 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.615 0.751 19739 2864 1 8 . 1 1 53 53 LEU CA C 53 54.321 54.321 53.889 0.431 19739 2865 1 8 . 1 1 53 53 LEU H H 53 9.238 9.238 7.650 1.588 19739 2866 1 8 . 1 1 54 54 ASN N N 54 123.200 123.200 118.270 4.930 19739 2867 1 8 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.871 -0.094 19739 2868 1 8 . 1 1 54 54 ASN CA C 54 53.941 53.941 53.325 0.616 19739 2869 1 8 . 1 1 54 54 ASN H H 54 8.913 8.913 8.823 0.090 19739 2870 1 8 . 1 1 55 55 THR N N 55 112.570 112.570 115.580 -3.010 19739 2871 1 8 . 1 1 55 55 THR HA H 55 5.063 5.063 4.570 0.493 19739 2872 1 8 . 1 1 55 55 THR CA C 55 68.927 68.927 61.142 7.785 19739 2873 1 8 . 1 1 55 55 THR H H 55 8.074 8.074 7.970 0.104 19739 2874 1 8 . 1 1 56 56 GLY N N 56 108.640 108.640 111.293 -2.653 19739 2875 1 8 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.358 1.943 19739 2876 1 8 . 1 1 56 56 GLY H H 56 7.982 7.982 8.865 -0.883 19739 2877 1 8 . 1 1 57 57 ARG N N 57 116.810 116.810 119.374 -2.564 19739 2878 1 8 . 1 1 57 57 ARG H H 57 7.955 7.955 7.543 0.412 19739 2879 1 8 . 1 1 58 58 THR N N 58 108.470 108.470 111.436 -2.966 19739 2880 1 8 . 1 1 58 58 THR HA H 58 4.495 4.495 4.286 0.209 19739 2881 1 8 . 1 1 58 58 THR CA C 58 61.154 61.154 63.379 -2.225 19739 2882 1 8 . 1 1 58 58 THR CB C 58 70.200 70.200 67.806 2.394 19739 2883 1 8 . 1 1 58 58 THR H H 58 7.284 7.284 8.471 -1.187 19739 2884 1 8 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.303 -0.197 19739 2885 1 8 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.404 -0.104 19739 2886 1 8 . 1 1 60 60 ALA N N 60 120.840 120.840 122.361 -1.521 19739 2887 1 8 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.908 -0.839 19739 2888 1 8 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.564 0.127 19739 2889 1 8 . 1 1 60 60 ALA CB C 60 19.620 19.620 19.010 0.610 19739 2890 1 8 . 1 1 60 60 ALA H H 60 7.887 7.887 8.410 -0.523 19739 2891 1 8 . 1 1 61 61 TRP N N 61 118.780 118.780 121.032 -2.252 19739 2892 1 8 . 1 1 61 61 TRP HA H 61 4.101 4.101 5.186 -1.085 19739 2893 1 8 . 1 1 61 61 TRP CA C 61 58.270 58.270 56.971 1.299 19739 2894 1 8 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.417 -1.958 19739 2895 1 8 . 1 1 61 61 TRP H H 61 7.621 7.621 7.926 -0.305 19739 2896 1 8 . 1 1 62 62 LYS N N 62 124.070 124.070 124.107 -0.037 19739 2897 1 8 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.793 1.012 19739 2898 1 8 . 1 1 62 62 LYS CA C 62 54.102 54.102 54.969 -0.867 19739 2899 1 8 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.561 -2.537 19739 2900 1 8 . 1 1 62 62 LYS H H 62 9.201 9.201 8.107 1.094 19739 2901 1 8 . 1 1 63 63 VAL N N 63 120.380 120.380 124.276 -3.896 19739 2902 1 8 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.869 1.162 19739 2903 1 8 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.667 -1.330 19739 2904 1 8 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.167 2.543 19739 2905 1 8 . 1 1 63 63 VAL H H 63 9.268 9.268 8.036 1.232 19739 2906 1 8 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.251 0.399 19739 2907 1 8 . 1 1 64 64 LEU CA C 64 53.976 53.976 54.561 -0.585 19739 2908 1 8 . 1 1 64 64 LEU CB C 64 43.868 43.868 42.733 1.135 19739 2909 1 8 . 1 1 65 65 SER N N 65 117.960 117.960 113.346 4.614 19739 2910 1 8 . 1 1 65 65 SER HA H 65 5.092 5.092 4.781 0.311 19739 2911 1 8 . 1 1 65 65 SER CA C 65 55.790 55.790 55.029 0.761 19739 2912 1 8 . 1 1 65 65 SER CB C 65 64.408 64.408 65.082 -0.674 19739 2913 1 8 . 1 1 65 65 SER H H 65 8.654 8.654 8.222 0.432 19739 2914 1 8 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.429 -0.080 19739 2915 1 8 . 1 1 66 66 PRO CA C 66 64.551 64.551 63.942 0.609 19739 2916 1 8 . 1 1 67 67 GLN N N 67 116.960 116.960 118.781 -1.821 19739 2917 1 8 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.509 -0.175 19739 2918 1 8 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.649 0.955 19739 2919 1 8 . 1 1 67 67 GLN CB C 67 28.733 28.733 29.394 -0.661 19739 2920 1 8 . 1 1 67 67 GLN H H 67 8.212 8.212 7.551 0.661 19739 2921 1 8 . 1 1 68 68 GLY N N 68 108.700 108.700 107.910 0.790 19739 2922 1 8 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.967 0.797 19739 2923 1 8 . 1 1 68 68 GLY H H 68 8.069 8.069 7.869 0.200 19739 2924 1 8 . 1 1 69 69 GLY N N 69 109.370 109.370 109.369 0.001 19739 2925 1 8 . 1 1 69 69 GLY CA C 69 45.053 45.053 45.270 -0.217 19739 2926 1 8 . 1 1 69 69 GLY H H 69 8.354 8.354 8.440 -0.086 19739 2927 1 8 . 1 1 70 70 GLY N N 70 109.700 109.700 106.296 3.404 19739 2928 1 8 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.492 0.586 19739 2929 1 8 . 1 1 70 70 GLY H H 70 8.428 8.428 7.551 0.877 19739 2930 1 8 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.369 -0.009 19739 2931 1 8 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.337 -0.013 19739 2932 1 8 . 1 1 71 71 PRO CB C 71 32.100 32.100 32.127 -0.027 19739 2933 1 8 . 1 1 72 72 TRP N N 72 118.420 118.420 120.519 -2.099 19739 2934 1 8 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.315 0.083 19739 2935 1 8 . 1 1 72 72 TRP CA C 72 59.360 59.360 61.144 -1.784 19739 2936 1 8 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.448 -0.779 19739 2937 1 8 . 1 1 72 72 TRP H H 72 8.204 8.204 8.291 -0.087 19739 2938 1 8 . 1 1 73 73 ASP N N 73 119.400 119.400 118.093 1.307 19739 2939 1 8 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.795 -0.370 19739 2940 1 8 . 1 1 73 73 ASP CA C 73 57.046 57.046 55.992 1.054 19739 2941 1 8 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.802 -0.181 19739 2942 1 8 . 1 1 73 73 ASP H H 73 7.686 7.686 7.913 -0.227 19739 2943 1 8 . 1 1 74 74 SER N N 74 110.610 110.610 114.935 -4.325 19739 2944 1 8 . 1 1 74 74 SER HA H 74 4.250 4.250 4.421 -0.171 19739 2945 1 8 . 1 1 74 74 SER CA C 74 59.125 59.125 59.846 -0.721 19739 2946 1 8 . 1 1 74 74 SER H H 74 7.563 7.563 7.608 -0.045 19739 2947 1 8 . 1 1 75 75 VAL N N 75 119.230 119.230 119.464 -0.234 19739 2948 1 8 . 1 1 75 75 VAL HA H 75 3.799 3.799 4.070 -0.271 19739 2949 1 8 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.483 1.174 19739 2950 1 8 . 1 1 75 75 VAL H H 75 7.740 7.740 7.458 0.282 19739 2951 1 8 . 1 1 76 76 ALA N N 76 120.240 120.240 120.413 -0.173 19739 2952 1 8 . 1 1 76 76 ALA CA C 76 51.869 51.869 50.239 1.630 19739 2953 1 8 . 1 1 76 76 ALA H H 76 7.994 7.994 7.835 0.159 19739 2954 1 8 . 1 1 77 77 ARG N N 77 119.730 119.730 120.491 -0.761 19739 2955 1 8 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.834 0.078 19739 2956 1 8 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.455 -1.774 19739 2957 1 8 . 1 1 77 77 ARG CB C 77 20.705 20.705 33.639 -12.934 19739 2958 1 8 . 1 1 77 77 ARG H H 77 8.796 8.796 8.491 0.305 19739 2959 1 8 . 1 1 78 78 VAL N N 78 123.460 123.460 124.140 -0.680 19739 2960 1 8 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.748 -0.397 19739 2961 1 8 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.681 0.539 19739 2962 1 8 . 1 1 78 78 VAL H H 78 8.583 8.583 8.683 -0.100 19739 2963 1 8 . 1 1 79 79 LEU N N 79 128.990 128.990 129.545 -0.555 19739 2964 1 8 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.994 1.818 19739 2965 1 8 . 1 1 79 79 LEU H H 79 9.319 9.319 9.083 0.236 19739 2966 1 8 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.268 0.129 19739 2967 1 8 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.147 -1.636 19739 2968 1 8 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.695 0.005 19739 2969 1 8 . 1 1 81 81 ASN N N 81 109.840 109.840 115.141 -5.301 19739 2970 1 8 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.632 -0.059 19739 2971 1 8 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.862 -0.697 19739 2972 1 8 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.696 -0.496 19739 2973 1 8 . 1 1 81 81 ASN H H 81 7.297 7.297 8.269 -0.972 19739 2974 1 8 . 1 1 82 82 GLY N N 82 108.850 108.850 108.070 0.780 19739 2975 1 8 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.047 0.708 19739 2976 1 8 . 1 1 82 82 GLY H H 82 8.579 8.579 8.385 0.194 19739 2977 1 8 . 1 1 83 83 SER N N 83 115.150 115.150 115.709 -0.559 19739 2978 1 8 . 1 1 83 83 SER HA H 83 4.824 4.824 5.353 -0.529 19739 2979 1 8 . 1 1 83 83 SER CA C 83 60.327 60.327 57.584 2.743 19739 2980 1 8 . 1 1 83 83 SER H H 83 7.775 7.775 7.788 -0.013 19739 2981 1 8 . 1 1 84 84 LEU N N 84 123.650 123.650 124.846 -1.196 19739 2982 1 8 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.061 -0.782 19739 2983 1 8 . 1 1 84 84 LEU CA C 84 53.621 53.621 54.067 -0.446 19739 2984 1 8 . 1 1 84 84 LEU CB C 84 42.079 42.079 45.288 -3.209 19739 2985 1 8 . 1 1 84 84 LEU H H 84 8.781 8.781 9.088 -0.307 19739 2986 1 8 . 1 1 85 85 PHE N N 85 126.120 126.120 127.586 -1.466 19739 2987 1 8 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.180 0.188 19739 2988 1 8 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.416 -1.223 19739 2989 1 8 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.701 4.742 19739 2990 1 8 . 1 1 85 85 PHE H H 85 8.991 8.991 9.453 -0.462 19739 2991 1 8 . 1 1 86 86 LEU N N 86 129.500 129.500 129.123 0.377 19739 2992 1 8 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.466 2.698 19739 2993 1 8 . 1 1 86 86 LEU H H 86 8.682 8.682 8.867 -0.185 19739 2994 1 8 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.861 -0.452 19739 2995 1 8 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.418 -0.317 19739 2996 1 8 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.831 0.213 19739 2997 1 8 . 1 1 88 88 ALA N N 88 115.010 115.010 118.726 -3.716 19739 2998 1 8 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.397 -0.789 19739 2999 1 8 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.263 0.364 19739 3000 1 8 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.027 -1.127 19739 3001 1 8 . 1 1 88 88 ALA H H 88 7.151 7.151 7.662 -0.511 19739 3002 1 8 . 1 1 89 89 VAL N N 89 124.890 124.890 125.464 -0.574 19739 3003 1 8 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.075 -0.282 19739 3004 1 8 . 1 1 89 89 VAL CA C 89 64.159 64.159 63.117 1.042 19739 3005 1 8 . 1 1 89 89 VAL CB C 89 31.904 31.904 31.648 0.256 19739 3006 1 8 . 1 1 89 89 VAL H H 89 8.066 8.066 8.132 -0.066 19739 3007 1 8 . 1 1 90 90 GLY N N 90 116.780 116.780 115.851 0.929 19739 3008 1 8 . 1 1 90 90 GLY CA C 90 43.493 43.493 43.880 -0.387 19739 3009 1 8 . 1 1 90 90 GLY H H 90 9.715 9.715 9.222 0.493 19739 3010 1 8 . 1 1 91 91 ILE N N 91 118.490 118.490 114.380 4.110 19739 3011 1 8 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.256 -0.454 19739 3012 1 8 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.455 1.326 19739 3013 1 8 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.079 0.321 19739 3014 1 8 . 1 1 91 91 ILE H H 91 8.596 8.596 8.040 0.556 19739 3015 1 8 . 1 1 92 92 GLN N N 92 116.720 116.720 118.768 -2.048 19739 3016 1 8 . 1 1 92 92 GLN CA C 92 57.231 57.231 57.682 -0.452 19739 3017 1 8 . 1 1 92 92 GLN H H 92 8.682 8.682 8.150 0.532 19739 3018 1 8 . 1 1 93 93 ASP N N 93 115.890 115.890 117.110 -1.220 19739 3019 1 8 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.945 -0.314 19739 3020 1 8 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.078 1.631 19739 3021 1 8 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.205 1.696 19739 3022 1 8 . 1 1 93 93 ASP H H 93 7.644 7.644 8.294 -0.650 19739 3023 1 8 . 1 1 94 94 GLU N N 94 112.880 112.880 118.781 -5.901 19739 3024 1 8 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.159 -0.068 19739 3025 1 8 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.225 1.500 19739 3026 1 8 . 1 1 94 94 GLU CB C 94 30.544 30.544 31.405 -0.861 19739 3027 1 8 . 1 1 94 94 GLU H H 94 6.666 6.666 7.402 -0.736 19739 3028 1 8 . 1 1 95 95 GLY N N 95 109.750 109.750 108.460 1.290 19739 3029 1 8 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.563 0.496 19739 3030 1 8 . 1 1 95 95 GLY H H 95 8.024 8.024 8.417 -0.393 19739 3031 1 8 . 1 1 96 96 ILE N N 96 119.990 119.990 121.253 -1.263 19739 3032 1 8 . 1 1 96 96 ILE HA H 96 5.361 5.361 5.167 0.194 19739 3033 1 8 . 1 1 96 96 ILE CA C 96 59.635 59.635 59.894 -0.259 19739 3034 1 8 . 1 1 96 96 ILE CB C 96 40.300 40.300 40.203 0.097 19739 3035 1 8 . 1 1 96 96 ILE H H 96 7.658 7.658 8.065 -0.407 19739 3036 1 8 . 1 1 97 97 PHE N N 97 124.050 124.050 127.074 -3.024 19739 3037 1 8 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.710 0.602 19739 3038 1 8 . 1 1 97 97 PHE CA C 97 56.466 56.466 56.193 0.273 19739 3039 1 8 . 1 1 97 97 PHE CB C 97 43.544 43.544 41.057 2.487 19739 3040 1 8 . 1 1 97 97 PHE H H 97 9.194 9.194 9.046 0.148 19739 3041 1 8 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.266 0.476 19739 3042 1 8 . 1 1 98 98 ARG CA C 98 54.501 54.501 54.766 -0.265 19739 3043 1 8 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.325 2.958 19739 3044 1 8 . 1 1 99 99 CYS N N 99 121.320 121.320 125.019 -3.699 19739 3045 1 8 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.614 0.291 19739 3046 1 8 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.835 -5.636 19739 3047 1 8 . 1 1 99 99 CYS H H 99 8.625 8.625 8.798 -0.173 19739 3048 1 8 . 1 1 100 100 GLN N N 100 127.220 127.220 124.899 2.321 19739 3049 1 8 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.742 0.100 19739 3050 1 8 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.864 -1.264 19739 3051 1 8 . 1 1 100 100 GLN H H 100 8.390 8.390 8.009 0.381 19739 3052 1 8 . 1 1 101 101 ALA N N 101 126.770 126.770 125.972 0.798 19739 3053 1 8 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.565 -0.290 19739 3054 1 8 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.865 -0.313 19739 3055 1 8 . 1 1 101 101 ALA CB C 101 22.877 22.877 21.958 0.919 19739 3056 1 8 . 1 1 101 101 ALA H H 101 8.623 8.623 8.509 0.114 19739 3057 1 8 . 1 1 102 102 MET N N 102 119.560 119.560 122.205 -2.645 19739 3058 1 8 . 1 1 102 102 MET HA H 102 4.959 4.959 5.291 -0.332 19739 3059 1 8 . 1 1 102 102 MET CA C 102 54.225 54.225 53.279 0.946 19739 3060 1 8 . 1 1 102 102 MET H H 102 8.085 8.085 8.187 -0.102 19739 3061 1 8 . 1 1 103 103 ASN N N 103 122.280 122.280 123.410 -1.130 19739 3062 1 8 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.854 0.002 19739 3063 1 8 . 1 1 103 103 ASN CA C 103 51.585 51.585 51.822 -0.237 19739 3064 1 8 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.831 -1.352 19739 3065 1 8 . 1 1 103 103 ASN H H 103 8.370 8.370 8.317 0.053 19739 3066 1 8 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.198 -0.088 19739 3067 1 8 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.407 0.226 19739 3068 1 8 . 1 1 104 104 ARG CB C 104 29.675 29.675 29.848 -0.173 19739 3069 1 8 . 1 1 105 105 ASN N N 105 115.430 115.430 115.558 -0.128 19739 3070 1 8 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.814 -0.027 19739 3071 1 8 . 1 1 105 105 ASN CA C 105 52.846 52.846 52.925 -0.079 19739 3072 1 8 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.730 0.070 19739 3073 1 8 . 1 1 105 105 ASN H H 105 7.922 7.922 7.687 0.235 19739 3074 1 8 . 1 1 106 106 GLY N N 106 107.550 107.550 108.736 -1.186 19739 3075 1 8 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.319 0.601 19739 3076 1 8 . 1 1 106 106 GLY H H 106 8.036 8.036 8.029 0.007 19739 3077 1 8 . 1 1 107 107 LYS N N 107 119.970 119.970 121.318 -1.348 19739 3078 1 8 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.526 -0.516 19739 3079 1 8 . 1 1 107 107 LYS H H 107 7.716 7.716 7.599 0.117 19739 3080 1 8 . 1 1 108 108 GLU N N 108 125.660 125.660 123.254 2.406 19739 3081 1 8 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.357 -0.367 19739 3082 1 8 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.868 0.656 19739 3083 1 8 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.150 -0.070 19739 3084 1 8 . 1 1 108 108 GLU H H 108 8.706 8.706 8.527 0.179 19739 3085 1 8 . 1 1 109 109 THR N N 109 121.300 121.300 113.827 7.473 19739 3086 1 8 . 1 1 109 109 THR HA H 109 4.485 4.485 4.466 0.019 19739 3087 1 8 . 1 1 109 109 THR CA C 109 62.448 62.448 61.318 1.130 19739 3088 1 8 . 1 1 109 109 THR CB C 109 70.670 70.670 70.779 -0.109 19739 3089 1 8 . 1 1 109 109 THR H H 109 9.059 9.059 8.299 0.760 19739 3090 1 8 . 1 1 110 110 LYS N N 110 127.017 127.017 129.194 -2.177 19739 3091 1 8 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.862 -0.399 19739 3092 1 8 . 1 1 110 110 LYS H H 110 8.776 8.776 8.489 0.287 19739 3093 1 8 . 1 1 111 111 SER HA H 111 4.628 4.628 4.429 0.199 19739 3094 1 8 . 1 1 111 111 SER CA C 111 65.621 65.621 57.813 7.808 19739 3095 1 8 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.579 -1.047 19739 3096 1 8 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.697 3.671 19739 3097 1 8 . 1 1 113 113 TYR N N 113 121.350 121.350 122.665 -1.315 19739 3098 1 8 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.771 0.825 19739 3099 1 8 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.015 -0.294 19739 3100 1 8 . 1 1 113 113 TYR H H 113 9.582 9.582 9.049 0.533 19739 3101 1 8 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.979 0.284 19739 3102 1 8 . 1 1 114 114 ARG CA C 114 53.811 53.811 54.177 -0.366 19739 3103 1 8 . 1 1 115 115 VAL N N 115 128.860 128.860 126.099 2.761 19739 3104 1 8 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.579 0.533 19739 3105 1 8 . 1 1 115 115 VAL CB C 115 33.829 33.829 33.334 0.495 19739 3106 1 8 . 1 1 115 115 VAL H H 115 9.299 9.299 8.809 0.490 19739 3107 1 8 . 1 1 116 116 ARG N N 116 128.100 128.100 126.569 1.531 19739 3108 1 8 . 1 1 116 116 ARG HA H 116 4.945 4.945 5.138 -0.193 19739 3109 1 8 . 1 1 116 116 ARG CA C 116 54.221 54.221 54.434 -0.214 19739 3110 1 8 . 1 1 116 116 ARG CB C 116 34.017 34.017 34.322 -0.305 19739 3111 1 8 . 1 1 116 116 ARG H H 116 8.728 8.728 8.313 0.415 19739 3112 1 8 . 1 1 117 117 VAL N N 117 120.340 120.340 120.011 0.329 19739 3113 1 8 . 1 1 117 117 VAL HA H 117 5.019 5.019 5.002 0.017 19739 3114 1 8 . 1 1 117 117 VAL CA C 117 60.524 60.524 59.123 1.401 19739 3115 1 8 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.467 -0.821 19739 3116 1 8 . 1 1 117 117 VAL H H 117 9.226 9.226 9.201 0.025 19739 3117 1 8 . 1 1 118 118 TYR N N 118 122.880 122.880 118.841 4.039 19739 3118 1 8 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.470 0.280 19739 3119 1 8 . 1 1 118 118 TYR CA C 118 56.857 56.857 60.056 -3.199 19739 3120 1 8 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.666 2.425 19739 3121 1 8 . 1 1 118 118 TYR H H 118 8.668 8.668 7.925 0.743 19739 3122 1 8 . 1 1 119 119 GLN N N 119 121.740 121.740 118.806 2.934 19739 3123 1 8 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.547 -0.199 19739 3124 1 8 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.050 -0.093 19739 3125 1 8 . 1 1 119 119 GLN CB C 119 30.303 30.303 28.129 2.174 19739 3126 1 8 . 1 1 119 119 GLN H H 119 8.351 8.351 8.308 0.043 19739 3127 1 8 . 1 1 120 120 ILE N N 120 123.720 123.720 117.820 5.900 19739 3128 1 8 . 1 1 120 120 ILE H H 120 8.034 8.034 7.799 0.235 19739 3129 1 9 . 1 1 24 24 GLN N N 24 121.380 121.380 121.080 0.300 19739 3130 1 9 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.448 0.046 19739 3131 1 9 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.173 0.793 19739 3132 1 9 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.811 0.324 19739 3133 1 9 . 1 1 24 24 GLN H H 24 8.313 8.313 8.206 0.107 19739 3134 1 9 . 1 1 25 25 ASN N N 25 125.370 125.370 122.197 3.173 19739 3135 1 9 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.396 -0.026 19739 3136 1 9 . 1 1 25 25 ASN CA C 25 53.735 53.735 52.959 0.776 19739 3137 1 9 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.430 -0.075 19739 3138 1 9 . 1 1 25 25 ASN H H 25 8.962 8.962 8.736 0.226 19739 3139 1 9 . 1 1 26 26 ILE N N 26 126.350 126.350 124.865 1.485 19739 3140 1 9 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.457 0.099 19739 3141 1 9 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.377 -1.924 19739 3142 1 9 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.012 -1.075 19739 3143 1 9 . 1 1 26 26 ILE H H 26 9.208 9.208 9.032 0.176 19739 3144 1 9 . 1 1 27 27 THR N N 27 122.550 122.550 120.531 2.019 19739 3145 1 9 . 1 1 27 27 THR HA H 27 5.144 5.144 4.697 0.447 19739 3146 1 9 . 1 1 27 27 THR CA C 27 60.949 60.949 61.455 -0.506 19739 3147 1 9 . 1 1 27 27 THR CB C 27 69.931 69.931 69.097 0.835 19739 3148 1 9 . 1 1 27 27 THR H H 27 8.652 8.652 8.538 0.114 19739 3149 1 9 . 1 1 28 28 ALA N N 28 129.260 129.260 129.248 0.012 19739 3150 1 9 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.516 0.154 19739 3151 1 9 . 1 1 28 28 ALA CA C 28 50.234 50.234 49.897 0.337 19739 3152 1 9 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.163 1.078 19739 3153 1 9 . 1 1 28 28 ALA H H 28 8.965 8.965 8.886 0.079 19739 3154 1 9 . 1 1 29 29 ARG N N 29 120.870 120.870 118.839 2.031 19739 3155 1 9 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.853 -0.504 19739 3156 1 9 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.260 0.778 19739 3157 1 9 . 1 1 29 29 ARG CB C 29 31.464 31.464 32.999 -1.535 19739 3158 1 9 . 1 1 29 29 ARG H H 29 8.248 8.248 8.593 -0.345 19739 3159 1 9 . 1 1 30 30 ILE N N 30 122.830 122.830 121.307 1.523 19739 3160 1 9 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.267 -0.751 19739 3161 1 9 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.774 1.065 19739 3162 1 9 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.410 0.889 19739 3163 1 9 . 1 1 30 30 ILE H H 30 8.173 8.173 8.651 -0.478 19739 3164 1 9 . 1 1 31 31 GLY N N 31 114.180 114.180 114.386 -0.206 19739 3165 1 9 . 1 1 31 31 GLY CA C 31 44.793 44.793 45.172 -0.379 19739 3166 1 9 . 1 1 31 31 GLY H H 31 9.525 9.525 9.166 0.359 19739 3167 1 9 . 1 1 32 32 GLU N N 32 120.550 120.550 121.334 -0.784 19739 3168 1 9 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.762 0.017 19739 3169 1 9 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.654 2.569 19739 3170 1 9 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.608 -1.656 19739 3171 1 9 . 1 1 32 32 GLU H H 32 7.634 7.634 7.571 0.063 19739 3172 1 9 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.083 -0.520 19739 3173 1 9 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.422 -0.481 19739 3174 1 9 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.202 0.698 19739 3175 1 9 . 1 1 34 34 LEU N N 34 121.680 121.680 127.015 -5.335 19739 3176 1 9 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.731 -0.203 19739 3177 1 9 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.237 -0.061 19739 3178 1 9 . 1 1 34 34 LEU CB C 34 47.317 47.317 45.842 1.475 19739 3179 1 9 . 1 1 34 34 LEU H H 34 8.519 8.519 7.977 0.542 19739 3180 1 9 . 1 1 35 35 VAL N N 35 124.430 124.430 122.529 1.901 19739 3181 1 9 . 1 1 35 35 VAL HA H 35 5.000 5.000 4.961 0.039 19739 3182 1 9 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.348 -0.941 19739 3183 1 9 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.503 1.012 19739 3184 1 9 . 1 1 35 35 VAL H H 35 8.066 8.066 8.404 -0.338 19739 3185 1 9 . 1 1 36 36 LEU N N 36 126.670 126.670 129.072 -2.402 19739 3186 1 9 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.700 -0.310 19739 3187 1 9 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.390 -1.228 19739 3188 1 9 . 1 1 36 36 LEU H H 36 8.883 8.883 8.822 0.061 19739 3189 1 9 . 1 1 37 37 LYS N N 37 121.220 121.220 121.613 -0.393 19739 3190 1 9 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.891 -0.355 19739 3191 1 9 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.853 0.813 19739 3192 1 9 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.027 0.582 19739 3193 1 9 . 1 1 37 37 LYS H H 37 8.399 8.399 8.391 0.008 19739 3194 1 9 . 1 1 38 38 CYS N N 38 126.370 126.370 125.173 1.197 19739 3195 1 9 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.791 -0.098 19739 3196 1 9 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.441 -2.008 19739 3197 1 9 . 1 1 38 38 CYS CB C 38 44.031 44.031 28.140 15.891 19739 3198 1 9 . 1 1 38 38 CYS H H 38 8.878 8.878 8.811 0.067 19739 3199 1 9 . 1 1 39 39 LYS N N 39 126.170 126.170 127.259 -1.089 19739 3200 1 9 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.448 -0.554 19739 3201 1 9 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.124 2.493 19739 3202 1 9 . 1 1 39 39 LYS CB C 39 31.967 31.967 33.755 -1.788 19739 3203 1 9 . 1 1 39 39 LYS H H 39 7.686 7.686 8.571 -0.885 19739 3204 1 9 . 1 1 40 40 GLY N N 40 108.770 108.770 107.723 1.047 19739 3205 1 9 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.568 -0.476 19739 3206 1 9 . 1 1 40 40 GLY H H 40 8.228 8.228 8.366 -0.138 19739 3207 1 9 . 1 1 41 41 ALA N N 41 122.190 122.190 125.069 -2.879 19739 3208 1 9 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.693 -0.351 19739 3209 1 9 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.949 -0.982 19739 3210 1 9 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.658 -0.759 19739 3211 1 9 . 1 1 41 41 ALA H H 41 7.403 7.403 8.181 -0.778 19739 3212 1 9 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.556 -0.032 19739 3213 1 9 . 1 1 42 42 PRO CA C 42 62.939 62.939 62.007 0.932 19739 3214 1 9 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.652 0.087 19739 3215 1 9 . 1 1 43 43 LYS N N 43 118.900 118.900 119.959 -1.059 19739 3216 1 9 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.275 -0.167 19739 3217 1 9 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.497 1.372 19739 3218 1 9 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.730 2.493 19739 3219 1 9 . 1 1 43 43 LYS H H 43 8.447 8.447 8.471 -0.024 19739 3220 1 9 . 1 1 44 44 LYS N N 44 115.950 115.950 120.648 -4.698 19739 3221 1 9 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.633 -0.012 19739 3222 1 9 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.649 -0.663 19739 3223 1 9 . 1 1 44 44 LYS H H 44 7.377 7.377 7.666 -0.289 19739 3224 1 9 . 1 1 46 46 PRO CB C 46 34.657 34.657 32.130 2.527 19739 3225 1 9 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.529 -0.171 19739 3226 1 9 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.419 0.588 19739 3227 1 9 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.395 2.305 19739 3228 1 9 . 1 1 48 48 ARG N N 48 125.070 125.070 119.846 5.224 19739 3229 1 9 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.201 -0.087 19739 3230 1 9 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.540 -10.950 19739 3231 1 9 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.709 -1.209 19739 3232 1 9 . 1 1 48 48 ARG H H 48 9.071 9.071 8.629 0.442 19739 3233 1 9 . 1 1 49 49 LEU N N 49 121.150 121.150 125.712 -4.562 19739 3234 1 9 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.685 0.580 19739 3235 1 9 . 1 1 49 49 LEU CA C 49 54.309 54.309 53.794 0.515 19739 3236 1 9 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.059 0.789 19739 3237 1 9 . 1 1 49 49 LEU H H 49 7.798 7.798 8.227 -0.429 19739 3238 1 9 . 1 1 50 50 GLU N N 50 120.200 120.200 127.974 -7.774 19739 3239 1 9 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.338 0.397 19739 3240 1 9 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.942 0.005 19739 3241 1 9 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.427 5.810 19739 3242 1 9 . 1 1 50 50 GLU H H 50 8.380 8.380 8.823 -0.443 19739 3243 1 9 . 1 1 51 51 TRP N N 51 125.560 125.560 126.443 -0.883 19739 3244 1 9 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.309 1.193 19739 3245 1 9 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.943 -3.223 19739 3246 1 9 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.053 2.467 19739 3247 1 9 . 1 1 51 51 TRP H H 51 9.161 9.161 8.304 0.857 19739 3248 1 9 . 1 1 52 52 LYS N N 52 120.150 120.150 123.779 -3.629 19739 3249 1 9 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.830 0.742 19739 3250 1 9 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.784 0.172 19739 3251 1 9 . 1 1 52 52 LYS CB C 52 36.900 36.900 36.973 -0.073 19739 3252 1 9 . 1 1 52 52 LYS H H 52 9.775 9.775 7.617 2.158 19739 3253 1 9 . 1 1 53 53 LEU N N 53 122.450 122.450 114.410 8.040 19739 3254 1 9 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.812 0.554 19739 3255 1 9 . 1 1 53 53 LEU CA C 53 54.321 54.321 53.682 0.639 19739 3256 1 9 . 1 1 53 53 LEU H H 53 9.238 9.238 7.755 1.483 19739 3257 1 9 . 1 1 54 54 ASN N N 54 123.200 123.200 118.988 4.212 19739 3258 1 9 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.941 -0.164 19739 3259 1 9 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.899 1.042 19739 3260 1 9 . 1 1 54 54 ASN H H 54 8.913 8.913 8.766 0.147 19739 3261 1 9 . 1 1 55 55 THR N N 55 112.570 112.570 116.854 -4.284 19739 3262 1 9 . 1 1 55 55 THR HA H 55 5.063 5.063 4.636 0.427 19739 3263 1 9 . 1 1 55 55 THR CA C 55 68.927 68.927 60.664 8.263 19739 3264 1 9 . 1 1 55 55 THR H H 55 8.074 8.074 8.005 0.069 19739 3265 1 9 . 1 1 56 56 GLY N N 56 108.640 108.640 109.163 -0.523 19739 3266 1 9 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.332 1.969 19739 3267 1 9 . 1 1 56 56 GLY H H 56 7.982 7.982 8.743 -0.761 19739 3268 1 9 . 1 1 57 57 ARG N N 57 116.810 116.810 121.169 -4.359 19739 3269 1 9 . 1 1 57 57 ARG H H 57 7.955 7.955 8.289 -0.334 19739 3270 1 9 . 1 1 58 58 THR N N 58 108.470 108.470 111.552 -3.082 19739 3271 1 9 . 1 1 58 58 THR HA H 58 4.495 4.495 4.191 0.304 19739 3272 1 9 . 1 1 58 58 THR CA C 58 61.154 61.154 63.194 -2.039 19739 3273 1 9 . 1 1 58 58 THR CB C 58 70.200 70.200 67.454 2.746 19739 3274 1 9 . 1 1 58 58 THR H H 58 7.284 7.284 8.187 -0.903 19739 3275 1 9 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.557 -0.451 19739 3276 1 9 . 1 1 59 59 GLU CA C 59 57.300 57.300 56.721 0.579 19739 3277 1 9 . 1 1 60 60 ALA N N 60 120.840 120.840 121.413 -0.573 19739 3278 1 9 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.839 -0.770 19739 3279 1 9 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.592 0.099 19739 3280 1 9 . 1 1 60 60 ALA CB C 60 19.620 19.620 19.561 0.059 19739 3281 1 9 . 1 1 60 60 ALA H H 60 7.887 7.887 8.341 -0.454 19739 3282 1 9 . 1 1 61 61 TRP N N 61 118.780 118.780 120.748 -1.968 19739 3283 1 9 . 1 1 61 61 TRP HA H 61 4.101 4.101 5.027 -0.926 19739 3284 1 9 . 1 1 61 61 TRP CA C 61 58.270 58.270 57.207 1.063 19739 3285 1 9 . 1 1 61 61 TRP CB C 61 29.459 29.459 30.157 -0.698 19739 3286 1 9 . 1 1 61 61 TRP H H 61 7.621 7.621 7.786 -0.165 19739 3287 1 9 . 1 1 62 62 LYS N N 62 124.070 124.070 125.755 -1.685 19739 3288 1 9 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.996 0.809 19739 3289 1 9 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.184 -1.082 19739 3290 1 9 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.366 -2.342 19739 3291 1 9 . 1 1 62 62 LYS H H 62 9.201 9.201 8.365 0.836 19739 3292 1 9 . 1 1 63 63 VAL N N 63 120.380 120.380 123.309 -2.929 19739 3293 1 9 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.873 1.158 19739 3294 1 9 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.888 -1.551 19739 3295 1 9 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.933 1.777 19739 3296 1 9 . 1 1 63 63 VAL H H 63 9.268 9.268 8.051 1.217 19739 3297 1 9 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.335 0.315 19739 3298 1 9 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.368 0.608 19739 3299 1 9 . 1 1 64 64 LEU CB C 64 43.868 43.868 43.277 0.591 19739 3300 1 9 . 1 1 65 65 SER N N 65 117.960 117.960 114.688 3.272 19739 3301 1 9 . 1 1 65 65 SER HA H 65 5.092 5.092 4.850 0.242 19739 3302 1 9 . 1 1 65 65 SER CA C 65 55.790 55.790 54.824 0.966 19739 3303 1 9 . 1 1 65 65 SER CB C 65 64.408 64.408 65.112 -0.704 19739 3304 1 9 . 1 1 65 65 SER H H 65 8.654 8.654 8.120 0.534 19739 3305 1 9 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.406 -0.057 19739 3306 1 9 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.016 0.535 19739 3307 1 9 . 1 1 67 67 GLN N N 67 116.960 116.960 118.548 -1.588 19739 3308 1 9 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.550 -0.216 19739 3309 1 9 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.190 1.414 19739 3310 1 9 . 1 1 67 67 GLN CB C 67 28.733 28.733 29.428 -0.695 19739 3311 1 9 . 1 1 67 67 GLN H H 67 8.212 8.212 7.628 0.584 19739 3312 1 9 . 1 1 68 68 GLY N N 68 108.700 108.700 106.815 1.885 19739 3313 1 9 . 1 1 68 68 GLY CA C 68 45.764 45.764 45.036 0.728 19739 3314 1 9 . 1 1 68 68 GLY H H 68 8.069 8.069 7.599 0.470 19739 3315 1 9 . 1 1 69 69 GLY N N 69 109.370 109.370 108.329 1.041 19739 3316 1 9 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.922 0.131 19739 3317 1 9 . 1 1 69 69 GLY H H 69 8.354 8.354 8.621 -0.267 19739 3318 1 9 . 1 1 70 70 GLY N N 70 109.700 109.700 108.066 1.634 19739 3319 1 9 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.772 0.306 19739 3320 1 9 . 1 1 70 70 GLY H H 70 8.428 8.428 7.836 0.592 19739 3321 1 9 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.296 0.064 19739 3322 1 9 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.425 -0.101 19739 3323 1 9 . 1 1 71 71 PRO CB C 71 32.100 32.100 32.004 0.096 19739 3324 1 9 . 1 1 72 72 TRP N N 72 118.420 118.420 120.274 -1.854 19739 3325 1 9 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.337 0.061 19739 3326 1 9 . 1 1 72 72 TRP CA C 72 59.360 59.360 61.793 -2.433 19739 3327 1 9 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.651 -0.983 19739 3328 1 9 . 1 1 72 72 TRP H H 72 8.204 8.204 7.813 0.391 19739 3329 1 9 . 1 1 73 73 ASP N N 73 119.400 119.400 119.425 -0.025 19739 3330 1 9 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.752 -0.327 19739 3331 1 9 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.410 0.636 19739 3332 1 9 . 1 1 73 73 ASP CB C 73 40.621 40.621 41.007 -0.386 19739 3333 1 9 . 1 1 73 73 ASP H H 73 7.686 7.686 7.968 -0.282 19739 3334 1 9 . 1 1 74 74 SER N N 74 110.610 110.610 114.568 -3.958 19739 3335 1 9 . 1 1 74 74 SER HA H 74 4.250 4.250 4.321 -0.071 19739 3336 1 9 . 1 1 74 74 SER CA C 74 59.125 59.125 59.955 -0.830 19739 3337 1 9 . 1 1 74 74 SER H H 74 7.563 7.563 7.758 -0.195 19739 3338 1 9 . 1 1 75 75 VAL N N 75 119.230 119.230 119.812 -0.582 19739 3339 1 9 . 1 1 75 75 VAL HA H 75 3.799 3.799 4.049 -0.250 19739 3340 1 9 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.293 1.364 19739 3341 1 9 . 1 1 75 75 VAL H H 75 7.740 7.740 7.324 0.416 19739 3342 1 9 . 1 1 76 76 ALA N N 76 120.240 120.240 120.388 -0.148 19739 3343 1 9 . 1 1 76 76 ALA CA C 76 51.869 51.869 49.921 1.948 19739 3344 1 9 . 1 1 76 76 ALA H H 76 7.994 7.994 7.823 0.171 19739 3345 1 9 . 1 1 77 77 ARG N N 77 119.730 119.730 120.964 -1.234 19739 3346 1 9 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.774 0.138 19739 3347 1 9 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.638 -1.957 19739 3348 1 9 . 1 1 77 77 ARG CB C 77 20.705 20.705 33.178 -12.473 19739 3349 1 9 . 1 1 77 77 ARG H H 77 8.796 8.796 8.559 0.237 19739 3350 1 9 . 1 1 78 78 VAL N N 78 123.460 123.460 124.848 -1.388 19739 3351 1 9 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.779 -0.428 19739 3352 1 9 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.801 0.419 19739 3353 1 9 . 1 1 78 78 VAL H H 78 8.583 8.583 8.543 0.040 19739 3354 1 9 . 1 1 79 79 LEU N N 79 128.990 128.990 130.235 -1.245 19739 3355 1 9 . 1 1 79 79 LEU CA C 79 53.812 53.812 52.147 1.665 19739 3356 1 9 . 1 1 79 79 LEU H H 79 9.319 9.319 8.995 0.324 19739 3357 1 9 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.315 0.082 19739 3358 1 9 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.004 -1.493 19739 3359 1 9 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.765 -0.065 19739 3360 1 9 . 1 1 81 81 ASN N N 81 109.840 109.840 113.685 -3.845 19739 3361 1 9 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.655 -0.082 19739 3362 1 9 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.848 -0.683 19739 3363 1 9 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.971 -0.771 19739 3364 1 9 . 1 1 81 81 ASN H H 81 7.297 7.297 8.100 -0.803 19739 3365 1 9 . 1 1 82 82 GLY N N 82 108.850 108.850 108.161 0.689 19739 3366 1 9 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.170 0.585 19739 3367 1 9 . 1 1 82 82 GLY H H 82 8.579 8.579 8.429 0.150 19739 3368 1 9 . 1 1 83 83 SER N N 83 115.150 115.150 116.648 -1.498 19739 3369 1 9 . 1 1 83 83 SER HA H 83 4.824 4.824 5.348 -0.524 19739 3370 1 9 . 1 1 83 83 SER CA C 83 60.327 60.327 58.296 2.031 19739 3371 1 9 . 1 1 83 83 SER H H 83 7.775 7.775 7.901 -0.126 19739 3372 1 9 . 1 1 84 84 LEU N N 84 123.650 123.650 126.835 -3.185 19739 3373 1 9 . 1 1 84 84 LEU HA H 84 4.279 4.279 4.990 -0.711 19739 3374 1 9 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.934 -0.313 19739 3375 1 9 . 1 1 84 84 LEU CB C 84 42.079 42.079 44.099 -2.021 19739 3376 1 9 . 1 1 84 84 LEU H H 84 8.781 8.781 9.165 -0.384 19739 3377 1 9 . 1 1 85 85 PHE N N 85 126.120 126.120 128.155 -2.035 19739 3378 1 9 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.325 0.043 19739 3379 1 9 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.079 -0.886 19739 3380 1 9 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.957 4.486 19739 3381 1 9 . 1 1 85 85 PHE H H 85 8.991 8.991 9.482 -0.491 19739 3382 1 9 . 1 1 86 86 LEU N N 86 129.500 129.500 128.765 0.735 19739 3383 1 9 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.451 2.713 19739 3384 1 9 . 1 1 86 86 LEU H H 86 8.682 8.682 8.532 0.150 19739 3385 1 9 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.859 -0.450 19739 3386 1 9 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.302 -0.201 19739 3387 1 9 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.797 0.247 19739 3388 1 9 . 1 1 88 88 ALA N N 88 115.010 115.010 117.593 -2.583 19739 3389 1 9 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.359 -0.751 19739 3390 1 9 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.389 0.238 19739 3391 1 9 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.452 -1.552 19739 3392 1 9 . 1 1 88 88 ALA H H 88 7.151 7.151 7.492 -0.341 19739 3393 1 9 . 1 1 89 89 VAL N N 89 124.890 124.890 125.150 -0.260 19739 3394 1 9 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.313 -0.520 19739 3395 1 9 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.339 1.820 19739 3396 1 9 . 1 1 89 89 VAL CB C 89 31.904 31.904 32.324 -0.420 19739 3397 1 9 . 1 1 89 89 VAL H H 89 8.066 8.066 8.170 -0.104 19739 3398 1 9 . 1 1 90 90 GLY N N 90 116.780 116.780 115.413 1.367 19739 3399 1 9 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.951 -1.458 19739 3400 1 9 . 1 1 90 90 GLY H H 90 9.715 9.715 9.492 0.223 19739 3401 1 9 . 1 1 91 91 ILE N N 91 118.490 118.490 115.113 3.377 19739 3402 1 9 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.564 -0.762 19739 3403 1 9 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.204 1.577 19739 3404 1 9 . 1 1 91 91 ILE CB C 91 38.400 38.400 39.137 -0.737 19739 3405 1 9 . 1 1 91 91 ILE H H 91 8.596 8.596 8.055 0.541 19739 3406 1 9 . 1 1 92 92 GLN N N 92 116.720 116.720 121.143 -4.423 19739 3407 1 9 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.131 -0.900 19739 3408 1 9 . 1 1 92 92 GLN H H 92 8.682 8.682 8.459 0.223 19739 3409 1 9 . 1 1 93 93 ASP N N 93 115.890 115.890 115.115 0.775 19739 3410 1 9 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.857 -0.226 19739 3411 1 9 . 1 1 93 93 ASP CA C 93 55.709 55.709 53.383 2.325 19739 3412 1 9 . 1 1 93 93 ASP CB C 93 41.900 41.900 39.884 2.016 19739 3413 1 9 . 1 1 93 93 ASP H H 93 7.644 7.644 8.415 -0.771 19739 3414 1 9 . 1 1 94 94 GLU N N 94 112.880 112.880 120.292 -7.412 19739 3415 1 9 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.225 -0.134 19739 3416 1 9 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.358 1.368 19739 3417 1 9 . 1 1 94 94 GLU CB C 94 30.544 30.544 29.963 0.581 19739 3418 1 9 . 1 1 94 94 GLU H H 94 6.666 6.666 7.236 -0.570 19739 3419 1 9 . 1 1 95 95 GLY N N 95 109.750 109.750 111.319 -1.569 19739 3420 1 9 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.999 0.060 19739 3421 1 9 . 1 1 95 95 GLY H H 95 8.024 8.024 7.644 0.380 19739 3422 1 9 . 1 1 96 96 ILE N N 96 119.990 119.990 120.280 -0.290 19739 3423 1 9 . 1 1 96 96 ILE HA H 96 5.361 5.361 4.973 0.388 19739 3424 1 9 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.069 -0.434 19739 3425 1 9 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.059 2.241 19739 3426 1 9 . 1 1 96 96 ILE H H 96 7.658 7.658 7.585 0.073 19739 3427 1 9 . 1 1 97 97 PHE N N 97 124.050 124.050 127.475 -3.425 19739 3428 1 9 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.538 0.774 19739 3429 1 9 . 1 1 97 97 PHE CA C 97 56.466 56.466 56.783 -0.317 19739 3430 1 9 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.466 3.078 19739 3431 1 9 . 1 1 97 97 PHE H H 97 9.194 9.194 8.943 0.251 19739 3432 1 9 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.249 0.493 19739 3433 1 9 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.005 -0.504 19739 3434 1 9 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.407 2.876 19739 3435 1 9 . 1 1 99 99 CYS N N 99 121.320 121.320 125.773 -4.453 19739 3436 1 9 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.333 0.572 19739 3437 1 9 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.903 -5.704 19739 3438 1 9 . 1 1 99 99 CYS H H 99 8.625 8.625 8.942 -0.317 19739 3439 1 9 . 1 1 100 100 GLN N N 100 127.220 127.220 124.251 2.969 19739 3440 1 9 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.710 0.132 19739 3441 1 9 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.578 -0.978 19739 3442 1 9 . 1 1 100 100 GLN H H 100 8.390 8.390 7.773 0.617 19739 3443 1 9 . 1 1 101 101 ALA N N 101 126.770 126.770 123.424 3.346 19739 3444 1 9 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.541 -0.266 19739 3445 1 9 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.672 -0.120 19739 3446 1 9 . 1 1 101 101 ALA CB C 101 22.877 22.877 22.141 0.736 19739 3447 1 9 . 1 1 101 101 ALA H H 101 8.623 8.623 8.350 0.273 19739 3448 1 9 . 1 1 102 102 MET N N 102 119.560 119.560 119.566 -0.006 19739 3449 1 9 . 1 1 102 102 MET HA H 102 4.959 4.959 5.269 -0.310 19739 3450 1 9 . 1 1 102 102 MET CA C 102 54.225 54.225 53.705 0.520 19739 3451 1 9 . 1 1 102 102 MET H H 102 8.085 8.085 7.967 0.118 19739 3452 1 9 . 1 1 103 103 ASN N N 103 122.280 122.280 123.203 -0.923 19739 3453 1 9 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.780 0.076 19739 3454 1 9 . 1 1 103 103 ASN CA C 103 51.585 51.585 51.742 -0.157 19739 3455 1 9 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.874 -1.395 19739 3456 1 9 . 1 1 103 103 ASN H H 103 8.370 8.370 8.504 -0.134 19739 3457 1 9 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.182 -0.072 19739 3458 1 9 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.426 0.207 19739 3459 1 9 . 1 1 104 104 ARG CB C 104 29.675 29.675 29.658 0.017 19739 3460 1 9 . 1 1 105 105 ASN N N 105 115.430 115.430 115.341 0.089 19739 3461 1 9 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.716 0.071 19739 3462 1 9 . 1 1 105 105 ASN CA C 105 52.846 52.846 53.109 -0.263 19739 3463 1 9 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.819 -0.019 19739 3464 1 9 . 1 1 105 105 ASN H H 105 7.922 7.922 8.290 -0.368 19739 3465 1 9 . 1 1 106 106 GLY N N 106 107.550 107.550 108.457 -0.907 19739 3466 1 9 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.380 0.540 19739 3467 1 9 . 1 1 106 106 GLY H H 106 8.036 8.036 7.905 0.131 19739 3468 1 9 . 1 1 107 107 LYS N N 107 119.970 119.970 122.750 -2.780 19739 3469 1 9 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.512 -0.502 19739 3470 1 9 . 1 1 107 107 LYS H H 107 7.716 7.716 7.700 0.016 19739 3471 1 9 . 1 1 108 108 GLU N N 108 125.660 125.660 123.607 2.053 19739 3472 1 9 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.171 -0.181 19739 3473 1 9 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.890 0.634 19739 3474 1 9 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.209 -0.129 19739 3475 1 9 . 1 1 108 108 GLU H H 108 8.706 8.706 8.555 0.151 19739 3476 1 9 . 1 1 109 109 THR N N 109 121.300 121.300 112.795 8.505 19739 3477 1 9 . 1 1 109 109 THR HA H 109 4.485 4.485 4.412 0.073 19739 3478 1 9 . 1 1 109 109 THR CA C 109 62.448 62.448 61.740 0.708 19739 3479 1 9 . 1 1 109 109 THR CB C 109 70.670 70.670 70.710 -0.040 19739 3480 1 9 . 1 1 109 109 THR H H 109 9.059 9.059 8.271 0.788 19739 3481 1 9 . 1 1 110 110 LYS N N 110 127.017 127.017 128.246 -1.229 19739 3482 1 9 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.657 -0.194 19739 3483 1 9 . 1 1 110 110 LYS H H 110 8.776 8.776 8.475 0.301 19739 3484 1 9 . 1 1 111 111 SER HA H 111 4.628 4.628 4.524 0.104 19739 3485 1 9 . 1 1 111 111 SER CA C 111 65.621 65.621 57.526 8.095 19739 3486 1 9 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.667 -1.135 19739 3487 1 9 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.503 3.865 19739 3488 1 9 . 1 1 113 113 TYR N N 113 121.350 121.350 123.224 -1.874 19739 3489 1 9 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.764 0.832 19739 3490 1 9 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.290 -0.569 19739 3491 1 9 . 1 1 113 113 TYR H H 113 9.582 9.582 9.324 0.258 19739 3492 1 9 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.801 0.462 19739 3493 1 9 . 1 1 114 114 ARG CA C 114 53.811 53.811 54.010 -0.199 19739 3494 1 9 . 1 1 115 115 VAL N N 115 128.860 128.860 126.647 2.213 19739 3495 1 9 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.818 0.294 19739 3496 1 9 . 1 1 115 115 VAL CB C 115 33.829 33.829 31.675 2.154 19739 3497 1 9 . 1 1 115 115 VAL H H 115 9.299 9.299 8.144 1.155 19739 3498 1 9 . 1 1 116 116 ARG N N 116 128.100 128.100 127.760 0.340 19739 3499 1 9 . 1 1 116 116 ARG HA H 116 4.945 4.945 4.778 0.167 19739 3500 1 9 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.465 0.756 19739 3501 1 9 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.397 0.620 19739 3502 1 9 . 1 1 116 116 ARG H H 116 8.728 8.728 9.161 -0.433 19739 3503 1 9 . 1 1 117 117 VAL N N 117 120.340 120.340 122.160 -1.820 19739 3504 1 9 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.721 0.298 19739 3505 1 9 . 1 1 117 117 VAL CA C 117 60.524 60.524 60.495 0.029 19739 3506 1 9 . 1 1 117 117 VAL CB C 117 32.645 32.645 32.781 -0.136 19739 3507 1 9 . 1 1 117 117 VAL H H 117 9.226 9.226 7.993 1.233 19739 3508 1 9 . 1 1 118 118 TYR N N 118 122.880 122.880 120.837 2.043 19739 3509 1 9 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.248 0.502 19739 3510 1 9 . 1 1 118 118 TYR CA C 118 56.857 56.857 61.010 -4.153 19739 3511 1 9 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.552 2.539 19739 3512 1 9 . 1 1 118 118 TYR H H 118 8.668 8.668 7.740 0.928 19739 3513 1 9 . 1 1 119 119 GLN N N 119 121.740 121.740 118.368 3.372 19739 3514 1 9 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.538 -0.190 19739 3515 1 9 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.074 -0.117 19739 3516 1 9 . 1 1 119 119 GLN CB C 119 30.303 30.303 28.747 1.556 19739 3517 1 9 . 1 1 119 119 GLN H H 119 8.351 8.351 8.108 0.243 19739 3518 1 9 . 1 1 120 120 ILE N N 120 123.720 123.720 120.934 2.786 19739 3519 1 9 . 1 1 120 120 ILE H H 120 8.034 8.034 8.197 -0.163 19739 3520 1 10 . 1 1 24 24 GLN N N 24 121.380 121.380 120.826 0.554 19739 3521 1 10 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.354 0.140 19739 3522 1 10 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.547 0.419 19739 3523 1 10 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.525 0.610 19739 3524 1 10 . 1 1 24 24 GLN H H 24 8.313 8.313 8.284 0.029 19739 3525 1 10 . 1 1 25 25 ASN N N 25 125.370 125.370 122.173 3.197 19739 3526 1 10 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.132 0.238 19739 3527 1 10 . 1 1 25 25 ASN CA C 25 53.735 53.735 53.284 0.451 19739 3528 1 10 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.149 0.206 19739 3529 1 10 . 1 1 25 25 ASN H H 25 8.962 8.962 8.736 0.226 19739 3530 1 10 . 1 1 26 26 ILE N N 26 126.350 126.350 126.208 0.142 19739 3531 1 10 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.433 0.123 19739 3532 1 10 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.432 -1.979 19739 3533 1 10 . 1 1 26 26 ILE CB C 26 39.937 39.937 40.965 -1.028 19739 3534 1 10 . 1 1 26 26 ILE H H 26 9.208 9.208 9.057 0.151 19739 3535 1 10 . 1 1 27 27 THR N N 27 122.550 122.550 121.252 1.298 19739 3536 1 10 . 1 1 27 27 THR HA H 27 5.144 5.144 4.944 0.200 19739 3537 1 10 . 1 1 27 27 THR CA C 27 60.949 60.949 60.956 -0.007 19739 3538 1 10 . 1 1 27 27 THR CB C 27 69.931 69.931 69.118 0.813 19739 3539 1 10 . 1 1 27 27 THR H H 27 8.652 8.652 8.406 0.246 19739 3540 1 10 . 1 1 28 28 ALA N N 28 129.260 129.260 128.005 1.255 19739 3541 1 10 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.727 -0.057 19739 3542 1 10 . 1 1 28 28 ALA CA C 28 50.234 50.234 49.954 0.280 19739 3543 1 10 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.284 0.957 19739 3544 1 10 . 1 1 28 28 ALA H H 28 8.965 8.965 8.623 0.342 19739 3545 1 10 . 1 1 29 29 ARG N N 29 120.870 120.870 119.303 1.567 19739 3546 1 10 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.830 -0.481 19739 3547 1 10 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.142 0.896 19739 3548 1 10 . 1 1 29 29 ARG CB C 29 31.464 31.464 33.870 -2.406 19739 3549 1 10 . 1 1 29 29 ARG H H 29 8.248 8.248 8.479 -0.231 19739 3550 1 10 . 1 1 30 30 ILE N N 30 122.830 122.830 121.770 1.060 19739 3551 1 10 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.694 -1.178 19739 3552 1 10 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.827 1.012 19739 3553 1 10 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.234 1.065 19739 3554 1 10 . 1 1 30 30 ILE H H 30 8.173 8.173 8.699 -0.526 19739 3555 1 10 . 1 1 31 31 GLY N N 31 114.180 114.180 114.738 -0.558 19739 3556 1 10 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.818 -0.025 19739 3557 1 10 . 1 1 31 31 GLY H H 31 9.525 9.525 9.075 0.450 19739 3558 1 10 . 1 1 32 32 GLU N N 32 120.550 120.550 122.487 -1.937 19739 3559 1 10 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.775 0.004 19739 3560 1 10 . 1 1 32 32 GLU CA C 32 55.223 55.223 53.180 2.043 19739 3561 1 10 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.014 -1.062 19739 3562 1 10 . 1 1 32 32 GLU H H 32 7.634 7.634 7.715 -0.081 19739 3563 1 10 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.077 -0.514 19739 3564 1 10 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.583 -0.642 19739 3565 1 10 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.654 0.246 19739 3566 1 10 . 1 1 34 34 LEU N N 34 121.680 121.680 123.800 -2.120 19739 3567 1 10 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.823 -0.295 19739 3568 1 10 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.819 -0.643 19739 3569 1 10 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.755 0.562 19739 3570 1 10 . 1 1 34 34 LEU H H 34 8.519 8.519 8.730 -0.211 19739 3571 1 10 . 1 1 35 35 VAL N N 35 124.430 124.430 124.654 -0.224 19739 3572 1 10 . 1 1 35 35 VAL HA H 35 5.000 5.000 5.177 -0.177 19739 3573 1 10 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.154 -0.747 19739 3574 1 10 . 1 1 35 35 VAL CB C 35 33.515 33.515 33.292 0.223 19739 3575 1 10 . 1 1 35 35 VAL H H 35 8.066 8.066 8.291 -0.225 19739 3576 1 10 . 1 1 36 36 LEU N N 36 126.670 126.670 129.395 -2.725 19739 3577 1 10 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.714 -0.324 19739 3578 1 10 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.503 -1.341 19739 3579 1 10 . 1 1 36 36 LEU H H 36 8.883 8.883 9.043 -0.160 19739 3580 1 10 . 1 1 37 37 LYS N N 37 121.220 121.220 120.871 0.349 19739 3581 1 10 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.835 -0.299 19739 3582 1 10 . 1 1 37 37 LYS CA C 37 56.666 56.666 56.005 0.660 19739 3583 1 10 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.872 -0.263 19739 3584 1 10 . 1 1 37 37 LYS H H 37 8.399 8.399 8.279 0.120 19739 3585 1 10 . 1 1 38 38 CYS N N 38 126.370 126.370 124.050 2.320 19739 3586 1 10 . 1 1 38 38 CYS HA H 38 4.693 4.693 5.173 -0.480 19739 3587 1 10 . 1 1 38 38 CYS CA C 38 56.433 56.433 57.756 -1.323 19739 3588 1 10 . 1 1 38 38 CYS CB C 38 44.031 44.031 28.033 15.998 19739 3589 1 10 . 1 1 38 38 CYS H H 38 8.878 8.878 9.018 -0.140 19739 3590 1 10 . 1 1 39 39 LYS N N 39 126.170 126.170 124.200 1.970 19739 3591 1 10 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.406 -0.512 19739 3592 1 10 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.351 2.266 19739 3593 1 10 . 1 1 39 39 LYS CB C 39 31.967 31.967 30.777 1.190 19739 3594 1 10 . 1 1 39 39 LYS H H 39 7.686 7.686 8.711 -1.025 19739 3595 1 10 . 1 1 40 40 GLY N N 40 108.770 108.770 109.876 -1.106 19739 3596 1 10 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.100 -0.008 19739 3597 1 10 . 1 1 40 40 GLY H H 40 8.228 8.228 8.195 0.033 19739 3598 1 10 . 1 1 41 41 ALA N N 41 122.190 122.190 123.113 -0.923 19739 3599 1 10 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.789 -0.447 19739 3600 1 10 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.001 -0.034 19739 3601 1 10 . 1 1 41 41 ALA CB C 41 17.899 17.899 20.277 -2.378 19739 3602 1 10 . 1 1 41 41 ALA H H 41 7.403 7.403 7.634 -0.231 19739 3603 1 10 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.630 -0.106 19739 3604 1 10 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.928 1.011 19739 3605 1 10 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.767 -0.028 19739 3606 1 10 . 1 1 43 43 LYS N N 43 118.900 118.900 120.200 -1.300 19739 3607 1 10 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.268 -0.160 19739 3608 1 10 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.458 1.411 19739 3609 1 10 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.771 2.452 19739 3610 1 10 . 1 1 43 43 LYS H H 43 8.447 8.447 8.525 -0.078 19739 3611 1 10 . 1 1 44 44 LYS N N 44 115.950 115.950 119.961 -4.011 19739 3612 1 10 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.633 -0.012 19739 3613 1 10 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.465 -0.479 19739 3614 1 10 . 1 1 44 44 LYS H H 44 7.377 7.377 7.738 -0.361 19739 3615 1 10 . 1 1 46 46 PRO CB C 46 34.657 34.657 31.901 2.756 19739 3616 1 10 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.595 -0.237 19739 3617 1 10 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.660 0.347 19739 3618 1 10 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.799 1.901 19739 3619 1 10 . 1 1 48 48 ARG N N 48 125.070 125.070 119.686 5.384 19739 3620 1 10 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.314 -0.200 19739 3621 1 10 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.219 -10.629 19739 3622 1 10 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.954 -1.454 19739 3623 1 10 . 1 1 48 48 ARG H H 48 9.071 9.071 8.550 0.521 19739 3624 1 10 . 1 1 49 49 LEU N N 49 121.150 121.150 125.443 -4.293 19739 3625 1 10 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.752 0.513 19739 3626 1 10 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.135 0.174 19739 3627 1 10 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.429 0.419 19739 3628 1 10 . 1 1 49 49 LEU H H 49 7.798 7.798 8.055 -0.257 19739 3629 1 10 . 1 1 50 50 GLU N N 50 120.200 120.200 127.656 -7.456 19739 3630 1 10 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.328 0.407 19739 3631 1 10 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.340 0.607 19739 3632 1 10 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.455 5.782 19739 3633 1 10 . 1 1 50 50 GLU H H 50 8.380 8.380 8.338 0.042 19739 3634 1 10 . 1 1 51 51 TRP N N 51 125.560 125.560 127.449 -1.889 19739 3635 1 10 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.442 1.060 19739 3636 1 10 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.958 -3.238 19739 3637 1 10 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.037 2.483 19739 3638 1 10 . 1 1 51 51 TRP H H 51 9.161 9.161 7.990 1.171 19739 3639 1 10 . 1 1 52 52 LYS N N 52 120.150 120.150 123.976 -3.826 19739 3640 1 10 . 1 1 52 52 LYS HA H 52 5.572 5.572 5.048 0.524 19739 3641 1 10 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.746 0.210 19739 3642 1 10 . 1 1 52 52 LYS CB C 52 36.900 36.900 37.158 -0.258 19739 3643 1 10 . 1 1 52 52 LYS H H 52 9.775 9.775 7.772 2.003 19739 3644 1 10 . 1 1 53 53 LEU N N 53 122.450 122.450 113.356 9.094 19739 3645 1 10 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.715 0.651 19739 3646 1 10 . 1 1 53 53 LEU CA C 53 54.321 54.321 54.210 0.111 19739 3647 1 10 . 1 1 53 53 LEU H H 53 9.238 9.238 7.800 1.438 19739 3648 1 10 . 1 1 54 54 ASN N N 54 123.200 123.200 119.706 3.494 19739 3649 1 10 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.934 -0.157 19739 3650 1 10 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.782 1.159 19739 3651 1 10 . 1 1 54 54 ASN H H 54 8.913 8.913 8.922 -0.009 19739 3652 1 10 . 1 1 55 55 THR N N 55 112.570 112.570 118.288 -5.718 19739 3653 1 10 . 1 1 55 55 THR HA H 55 5.063 5.063 4.578 0.485 19739 3654 1 10 . 1 1 55 55 THR CA C 55 68.927 68.927 60.394 8.533 19739 3655 1 10 . 1 1 55 55 THR H H 55 8.074 8.074 7.933 0.141 19739 3656 1 10 . 1 1 56 56 GLY N N 56 108.640 108.640 108.912 -0.272 19739 3657 1 10 . 1 1 56 56 GLY CA C 56 47.301 47.301 46.172 1.129 19739 3658 1 10 . 1 1 56 56 GLY H H 56 7.982 7.982 8.542 -0.560 19739 3659 1 10 . 1 1 57 57 ARG N N 57 116.810 116.810 120.162 -3.352 19739 3660 1 10 . 1 1 57 57 ARG H H 57 7.955 7.955 7.920 0.035 19739 3661 1 10 . 1 1 58 58 THR N N 58 108.470 108.470 112.524 -4.054 19739 3662 1 10 . 1 1 58 58 THR HA H 58 4.495 4.495 4.241 0.254 19739 3663 1 10 . 1 1 58 58 THR CA C 58 61.154 61.154 63.100 -1.946 19739 3664 1 10 . 1 1 58 58 THR CB C 58 70.200 70.200 67.847 2.353 19739 3665 1 10 . 1 1 58 58 THR H H 58 7.284 7.284 8.097 -0.813 19739 3666 1 10 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.482 -0.376 19739 3667 1 10 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.746 -0.446 19739 3668 1 10 . 1 1 60 60 ALA N N 60 120.840 120.840 123.548 -2.708 19739 3669 1 10 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.453 -0.384 19739 3670 1 10 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.533 0.158 19739 3671 1 10 . 1 1 60 60 ALA CB C 60 19.620 19.620 17.946 1.674 19739 3672 1 10 . 1 1 60 60 ALA H H 60 7.887 7.887 8.346 -0.459 19739 3673 1 10 . 1 1 61 61 TRP N N 61 118.780 118.780 124.302 -5.522 19739 3674 1 10 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.640 -0.539 19739 3675 1 10 . 1 1 61 61 TRP CA C 61 58.270 58.270 56.080 2.190 19739 3676 1 10 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.319 -1.860 19739 3677 1 10 . 1 1 61 61 TRP H H 61 7.621 7.621 7.679 -0.058 19739 3678 1 10 . 1 1 62 62 LYS N N 62 124.070 124.070 127.546 -3.476 19739 3679 1 10 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.916 0.889 19739 3680 1 10 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.481 -1.379 19739 3681 1 10 . 1 1 62 62 LYS CB C 62 33.024 33.024 34.496 -1.472 19739 3682 1 10 . 1 1 62 62 LYS H H 62 9.201 9.201 7.989 1.212 19739 3683 1 10 . 1 1 63 63 VAL N N 63 120.380 120.380 123.533 -3.153 19739 3684 1 10 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.967 1.064 19739 3685 1 10 . 1 1 63 63 VAL CA C 63 60.337 60.337 62.686 -2.349 19739 3686 1 10 . 1 1 63 63 VAL CB C 63 33.710 33.710 32.201 1.509 19739 3687 1 10 . 1 1 63 63 VAL H H 63 9.268 9.268 8.156 1.112 19739 3688 1 10 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.668 -0.018 19739 3689 1 10 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.146 0.830 19739 3690 1 10 . 1 1 64 64 LEU CB C 64 43.868 43.868 45.653 -1.785 19739 3691 1 10 . 1 1 65 65 SER N N 65 117.960 117.960 115.558 2.402 19739 3692 1 10 . 1 1 65 65 SER HA H 65 5.092 5.092 4.954 0.138 19739 3693 1 10 . 1 1 65 65 SER CA C 65 55.790 55.790 56.516 -0.726 19739 3694 1 10 . 1 1 65 65 SER CB C 65 64.408 64.408 65.579 -1.171 19739 3695 1 10 . 1 1 65 65 SER H H 65 8.654 8.654 8.050 0.604 19739 3696 1 10 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.523 -0.174 19739 3697 1 10 . 1 1 66 66 PRO CA C 66 64.551 64.551 63.831 0.720 19739 3698 1 10 . 1 1 67 67 GLN N N 67 116.960 116.960 118.365 -1.405 19739 3699 1 10 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.373 -0.039 19739 3700 1 10 . 1 1 67 67 GLN CA C 67 56.604 56.604 56.003 0.601 19739 3701 1 10 . 1 1 67 67 GLN CB C 67 28.733 28.733 30.548 -1.815 19739 3702 1 10 . 1 1 67 67 GLN H H 67 8.212 8.212 8.657 -0.445 19739 3703 1 10 . 1 1 68 68 GLY N N 68 108.700 108.700 108.514 0.186 19739 3704 1 10 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.809 0.955 19739 3705 1 10 . 1 1 68 68 GLY H H 68 8.069 8.069 7.624 0.445 19739 3706 1 10 . 1 1 69 69 GLY N N 69 109.370 109.370 109.309 0.061 19739 3707 1 10 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.593 0.460 19739 3708 1 10 . 1 1 69 69 GLY H H 69 8.354 8.354 8.642 -0.288 19739 3709 1 10 . 1 1 70 70 GLY N N 70 109.700 109.700 106.999 2.701 19739 3710 1 10 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.788 0.290 19739 3711 1 10 . 1 1 70 70 GLY H H 70 8.428 8.428 7.816 0.612 19739 3712 1 10 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.414 -0.054 19739 3713 1 10 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.745 -0.421 19739 3714 1 10 . 1 1 71 71 PRO CB C 71 32.100 32.100 31.881 0.219 19739 3715 1 10 . 1 1 72 72 TRP N N 72 118.420 118.420 120.333 -1.913 19739 3716 1 10 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.519 -0.121 19739 3717 1 10 . 1 1 72 72 TRP CA C 72 59.360 59.360 58.015 1.345 19739 3718 1 10 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.250 -0.581 19739 3719 1 10 . 1 1 72 72 TRP H H 72 8.204 8.204 8.036 0.168 19739 3720 1 10 . 1 1 73 73 ASP N N 73 119.400 119.400 120.448 -1.048 19739 3721 1 10 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.260 0.165 19739 3722 1 10 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.956 0.090 19739 3723 1 10 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.857 -0.236 19739 3724 1 10 . 1 1 73 73 ASP H H 73 7.686 7.686 8.023 -0.337 19739 3725 1 10 . 1 1 74 74 SER N N 74 110.610 110.610 113.171 -2.561 19739 3726 1 10 . 1 1 74 74 SER HA H 74 4.250 4.250 4.376 -0.126 19739 3727 1 10 . 1 1 74 74 SER CA C 74 59.125 59.125 59.987 -0.862 19739 3728 1 10 . 1 1 74 74 SER H H 74 7.563 7.563 7.556 0.007 19739 3729 1 10 . 1 1 75 75 VAL N N 75 119.230 119.230 120.460 -1.230 19739 3730 1 10 . 1 1 75 75 VAL HA H 75 3.799 3.799 3.936 -0.137 19739 3731 1 10 . 1 1 75 75 VAL CA C 75 63.657 63.657 63.154 0.504 19739 3732 1 10 . 1 1 75 75 VAL H H 75 7.740 7.740 7.201 0.539 19739 3733 1 10 . 1 1 76 76 ALA N N 76 120.240 120.240 119.905 0.335 19739 3734 1 10 . 1 1 76 76 ALA CA C 76 51.869 51.869 49.818 2.051 19739 3735 1 10 . 1 1 76 76 ALA H H 76 7.994 7.994 7.457 0.537 19739 3736 1 10 . 1 1 77 77 ARG N N 77 119.730 119.730 121.979 -2.249 19739 3737 1 10 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.607 0.305 19739 3738 1 10 . 1 1 77 77 ARG CA C 77 51.681 51.681 52.830 -1.149 19739 3739 1 10 . 1 1 77 77 ARG CB C 77 20.705 20.705 31.657 -10.952 19739 3740 1 10 . 1 1 77 77 ARG H H 77 8.796 8.796 8.454 0.342 19739 3741 1 10 . 1 1 78 78 VAL N N 78 123.460 123.460 126.070 -2.610 19739 3742 1 10 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.475 -0.124 19739 3743 1 10 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.927 0.293 19739 3744 1 10 . 1 1 78 78 VAL H H 78 8.583 8.583 8.508 0.075 19739 3745 1 10 . 1 1 79 79 LEU N N 79 128.990 128.990 130.119 -1.129 19739 3746 1 10 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.601 2.211 19739 3747 1 10 . 1 1 79 79 LEU H H 79 9.319 9.319 8.951 0.368 19739 3748 1 10 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.315 0.082 19739 3749 1 10 . 1 1 80 80 PRO CA C 80 63.511 63.511 64.933 -1.422 19739 3750 1 10 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.477 0.223 19739 3751 1 10 . 1 1 81 81 ASN N N 81 109.840 109.840 115.690 -5.850 19739 3752 1 10 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.666 -0.093 19739 3753 1 10 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.660 -0.495 19739 3754 1 10 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.760 -0.560 19739 3755 1 10 . 1 1 81 81 ASN H H 81 7.297 7.297 8.028 -0.731 19739 3756 1 10 . 1 1 82 82 GLY N N 82 108.850 108.850 108.730 0.120 19739 3757 1 10 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.530 0.225 19739 3758 1 10 . 1 1 82 82 GLY H H 82 8.579 8.579 8.347 0.232 19739 3759 1 10 . 1 1 83 83 SER N N 83 115.150 115.150 115.416 -0.266 19739 3760 1 10 . 1 1 83 83 SER HA H 83 4.824 4.824 5.464 -0.640 19739 3761 1 10 . 1 1 83 83 SER CA C 83 60.327 60.327 57.561 2.766 19739 3762 1 10 . 1 1 83 83 SER H H 83 7.775 7.775 7.872 -0.097 19739 3763 1 10 . 1 1 84 84 LEU N N 84 123.650 123.650 125.515 -1.865 19739 3764 1 10 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.174 -0.895 19739 3765 1 10 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.769 -0.148 19739 3766 1 10 . 1 1 84 84 LEU CB C 84 42.079 42.079 45.104 -3.025 19739 3767 1 10 . 1 1 84 84 LEU H H 84 8.781 8.781 9.127 -0.346 19739 3768 1 10 . 1 1 85 85 PHE N N 85 126.120 126.120 128.733 -2.613 19739 3769 1 10 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.218 0.150 19739 3770 1 10 . 1 1 85 85 PHE CA C 85 54.193 54.193 54.969 -0.777 19739 3771 1 10 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.476 4.967 19739 3772 1 10 . 1 1 85 85 PHE H H 85 8.991 8.991 9.349 -0.358 19739 3773 1 10 . 1 1 86 86 LEU N N 86 129.500 129.500 129.182 0.318 19739 3774 1 10 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.395 2.769 19739 3775 1 10 . 1 1 86 86 LEU H H 86 8.682 8.682 8.987 -0.305 19739 3776 1 10 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.870 -0.461 19739 3777 1 10 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.262 -0.161 19739 3778 1 10 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.782 0.262 19739 3779 1 10 . 1 1 88 88 ALA N N 88 115.010 115.010 118.530 -3.520 19739 3780 1 10 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.402 -0.794 19739 3781 1 10 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.359 0.268 19739 3782 1 10 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.650 -1.750 19739 3783 1 10 . 1 1 88 88 ALA H H 88 7.151 7.151 7.526 -0.375 19739 3784 1 10 . 1 1 89 89 VAL N N 89 124.890 124.890 125.681 -0.791 19739 3785 1 10 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.145 -0.352 19739 3786 1 10 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.491 1.668 19739 3787 1 10 . 1 1 89 89 VAL CB C 89 31.904 31.904 31.803 0.101 19739 3788 1 10 . 1 1 89 89 VAL H H 89 8.066 8.066 8.438 -0.372 19739 3789 1 10 . 1 1 90 90 GLY N N 90 116.780 116.780 116.658 0.122 19739 3790 1 10 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.143 -0.650 19739 3791 1 10 . 1 1 90 90 GLY H H 90 9.715 9.715 9.315 0.400 19739 3792 1 10 . 1 1 91 91 ILE N N 91 118.490 118.490 115.523 2.967 19739 3793 1 10 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.281 -0.479 19739 3794 1 10 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.841 0.940 19739 3795 1 10 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.398 0.002 19739 3796 1 10 . 1 1 91 91 ILE H H 91 8.596 8.596 8.112 0.484 19739 3797 1 10 . 1 1 92 92 GLN N N 92 116.720 116.720 120.255 -3.535 19739 3798 1 10 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.017 -0.786 19739 3799 1 10 . 1 1 92 92 GLN H H 92 8.682 8.682 8.404 0.278 19739 3800 1 10 . 1 1 93 93 ASP N N 93 115.890 115.890 116.586 -0.696 19739 3801 1 10 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.902 -0.272 19739 3802 1 10 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.134 1.575 19739 3803 1 10 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.245 1.655 19739 3804 1 10 . 1 1 93 93 ASP H H 93 7.644 7.644 8.466 -0.822 19739 3805 1 10 . 1 1 94 94 GLU N N 94 112.880 112.880 119.640 -6.760 19739 3806 1 10 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.359 -0.268 19739 3807 1 10 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.122 1.604 19739 3808 1 10 . 1 1 94 94 GLU CB C 94 30.544 30.544 31.262 -0.718 19739 3809 1 10 . 1 1 94 94 GLU H H 94 6.666 6.666 7.380 -0.714 19739 3810 1 10 . 1 1 95 95 GLY N N 95 109.750 109.750 109.065 0.685 19739 3811 1 10 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.615 0.444 19739 3812 1 10 . 1 1 95 95 GLY H H 95 8.024 8.024 7.774 0.250 19739 3813 1 10 . 1 1 96 96 ILE N N 96 119.990 119.990 121.436 -1.446 19739 3814 1 10 . 1 1 96 96 ILE HA H 96 5.361 5.361 5.110 0.251 19739 3815 1 10 . 1 1 96 96 ILE CA C 96 59.635 59.635 59.919 -0.284 19739 3816 1 10 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.055 2.245 19739 3817 1 10 . 1 1 96 96 ILE H H 96 7.658 7.658 7.790 -0.132 19739 3818 1 10 . 1 1 97 97 PHE N N 97 124.050 124.050 126.883 -2.833 19739 3819 1 10 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.516 0.796 19739 3820 1 10 . 1 1 97 97 PHE CA C 97 56.466 56.466 56.492 -0.026 19739 3821 1 10 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.320 3.224 19739 3822 1 10 . 1 1 97 97 PHE H H 97 9.194 9.194 8.311 0.883 19739 3823 1 10 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.099 0.643 19739 3824 1 10 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.211 -0.710 19739 3825 1 10 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.824 2.459 19739 3826 1 10 . 1 1 99 99 CYS N N 99 121.320 121.320 126.176 -4.856 19739 3827 1 10 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.100 0.805 19739 3828 1 10 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.758 -5.559 19739 3829 1 10 . 1 1 99 99 CYS H H 99 8.625 8.625 8.580 0.045 19739 3830 1 10 . 1 1 100 100 GLN N N 100 127.220 127.220 124.862 2.358 19739 3831 1 10 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.635 0.207 19739 3832 1 10 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.657 -1.057 19739 3833 1 10 . 1 1 100 100 GLN H H 100 8.390 8.390 8.369 0.021 19739 3834 1 10 . 1 1 101 101 ALA N N 101 126.770 126.770 124.821 1.949 19739 3835 1 10 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.531 -0.256 19739 3836 1 10 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.593 -0.041 19739 3837 1 10 . 1 1 101 101 ALA CB C 101 22.877 22.877 22.051 0.826 19739 3838 1 10 . 1 1 101 101 ALA H H 101 8.623 8.623 8.414 0.209 19739 3839 1 10 . 1 1 102 102 MET N N 102 119.560 119.560 119.302 0.258 19739 3840 1 10 . 1 1 102 102 MET HA H 102 4.959 4.959 5.137 -0.178 19739 3841 1 10 . 1 1 102 102 MET CA C 102 54.225 54.225 53.990 0.234 19739 3842 1 10 . 1 1 102 102 MET H H 102 8.085 8.085 8.208 -0.123 19739 3843 1 10 . 1 1 103 103 ASN N N 103 122.280 122.280 123.667 -1.387 19739 3844 1 10 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.809 0.047 19739 3845 1 10 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.123 -0.538 19739 3846 1 10 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.973 -1.494 19739 3847 1 10 . 1 1 103 103 ASN H H 103 8.370 8.370 8.247 0.123 19739 3848 1 10 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.151 -0.041 19739 3849 1 10 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.266 0.367 19739 3850 1 10 . 1 1 104 104 ARG CB C 104 29.675 29.675 29.673 0.002 19739 3851 1 10 . 1 1 105 105 ASN N N 105 115.430 115.430 115.767 -0.337 19739 3852 1 10 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.746 0.041 19739 3853 1 10 . 1 1 105 105 ASN CA C 105 52.846 52.846 53.068 -0.222 19739 3854 1 10 . 1 1 105 105 ASN CB C 105 38.800 38.800 39.131 -0.331 19739 3855 1 10 . 1 1 105 105 ASN H H 105 7.922 7.922 7.798 0.124 19739 3856 1 10 . 1 1 106 106 GLY N N 106 107.550 107.550 107.893 -0.343 19739 3857 1 10 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.291 0.629 19739 3858 1 10 . 1 1 106 106 GLY H H 106 8.036 8.036 7.873 0.163 19739 3859 1 10 . 1 1 107 107 LYS N N 107 119.970 119.970 121.671 -1.701 19739 3860 1 10 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.012 -0.002 19739 3861 1 10 . 1 1 107 107 LYS H H 107 7.716 7.716 8.071 -0.355 19739 3862 1 10 . 1 1 108 108 GLU N N 108 125.660 125.660 122.244 3.416 19739 3863 1 10 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.138 -0.148 19739 3864 1 10 . 1 1 108 108 GLU CA C 108 55.524 55.524 55.190 0.334 19739 3865 1 10 . 1 1 108 108 GLU CB C 108 32.080 32.080 31.146 0.934 19739 3866 1 10 . 1 1 108 108 GLU H H 108 8.706 8.706 8.511 0.195 19739 3867 1 10 . 1 1 109 109 THR N N 109 121.300 121.300 112.396 8.904 19739 3868 1 10 . 1 1 109 109 THR HA H 109 4.485 4.485 4.432 0.053 19739 3869 1 10 . 1 1 109 109 THR CA C 109 62.448 62.448 61.334 1.114 19739 3870 1 10 . 1 1 109 109 THR CB C 109 70.670 70.670 69.797 0.873 19739 3871 1 10 . 1 1 109 109 THR H H 109 9.059 9.059 8.003 1.056 19739 3872 1 10 . 1 1 110 110 LYS N N 110 127.017 127.017 127.037 -0.020 19739 3873 1 10 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.369 0.094 19739 3874 1 10 . 1 1 110 110 LYS H H 110 8.776 8.776 8.431 0.345 19739 3875 1 10 . 1 1 111 111 SER HA H 111 4.628 4.628 4.445 0.183 19739 3876 1 10 . 1 1 111 111 SER CA C 111 65.621 65.621 57.460 8.161 19739 3877 1 10 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.441 -0.909 19739 3878 1 10 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.626 3.742 19739 3879 1 10 . 1 1 113 113 TYR N N 113 121.350 121.350 122.083 -0.733 19739 3880 1 10 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.699 0.897 19739 3881 1 10 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.054 -0.333 19739 3882 1 10 . 1 1 113 113 TYR H H 113 9.582 9.582 9.151 0.431 19739 3883 1 10 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.811 0.452 19739 3884 1 10 . 1 1 114 114 ARG CA C 114 53.811 53.811 54.181 -0.370 19739 3885 1 10 . 1 1 115 115 VAL N N 115 128.860 128.860 127.139 1.721 19739 3886 1 10 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.640 0.472 19739 3887 1 10 . 1 1 115 115 VAL CB C 115 33.829 33.829 32.825 1.004 19739 3888 1 10 . 1 1 115 115 VAL H H 115 9.299 9.299 8.520 0.779 19739 3889 1 10 . 1 1 116 116 ARG N N 116 128.100 128.100 127.728 0.372 19739 3890 1 10 . 1 1 116 116 ARG HA H 116 4.945 4.945 4.874 0.071 19739 3891 1 10 . 1 1 116 116 ARG CA C 116 54.221 54.221 54.094 0.127 19739 3892 1 10 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.644 0.373 19739 3893 1 10 . 1 1 116 116 ARG H H 116 8.728 8.728 8.854 -0.126 19739 3894 1 10 . 1 1 117 117 VAL N N 117 120.340 120.340 121.485 -1.145 19739 3895 1 10 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.853 0.166 19739 3896 1 10 . 1 1 117 117 VAL CA C 117 60.524 60.524 59.948 0.576 19739 3897 1 10 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.045 -0.400 19739 3898 1 10 . 1 1 117 117 VAL H H 117 9.226 9.226 9.106 0.120 19739 3899 1 10 . 1 1 118 118 TYR N N 118 122.880 122.880 119.037 3.843 19739 3900 1 10 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.428 0.322 19739 3901 1 10 . 1 1 118 118 TYR CA C 118 56.857 56.857 60.239 -3.382 19739 3902 1 10 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.919 2.172 19739 3903 1 10 . 1 1 118 118 TYR H H 118 8.668 8.668 7.875 0.793 19739 3904 1 10 . 1 1 119 119 GLN N N 119 121.740 121.740 118.638 3.102 19739 3905 1 10 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.603 -0.255 19739 3906 1 10 . 1 1 119 119 GLN CA C 119 54.957 54.957 54.910 0.047 19739 3907 1 10 . 1 1 119 119 GLN CB C 119 30.303 30.303 29.133 1.171 19739 3908 1 10 . 1 1 119 119 GLN H H 119 8.351 8.351 8.122 0.229 19739 3909 1 10 . 1 1 120 120 ILE N N 120 123.720 123.720 119.611 4.109 19739 3910 1 10 . 1 1 120 120 ILE H H 120 8.034 8.034 8.224 -0.190 19739 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 81 3.156 0.633 3.111 19739 2 1 1 "Average Difference" HA 93 0.442 -0.011 0.444 19739 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19739 4 1 1 "Average Difference" CA 93 2.134 -0.164 2.139 19739 5 1 1 "Average Difference" CB 61 3.134 -0.529 3.115 19739 6 1 1 "Average Difference" HN 81 0.574 -0.101 0.569 19739 7 1 2 "Average Difference" N 81 2.962 0.570 2.925 19739 8 1 2 "Average Difference" HA 93 0.442 -0.012 0.445 19739 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19739 10 1 2 "Average Difference" CA 93 2.084 -0.123 2.091 19739 11 1 2 "Average Difference" CB 61 3.102 -0.565 3.075 19739 12 1 2 "Average Difference" HN 81 0.617 -0.093 0.614 19739 13 1 3 "Average Difference" N 81 3.004 0.691 2.942 19739 14 1 3 "Average Difference" HA 93 0.442 0.014 0.445 19739 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19739 16 1 3 "Average Difference" CA 93 2.070 -0.164 2.074 19739 17 1 3 "Average Difference" CB 61 3.046 -0.507 3.028 19739 18 1 3 "Average Difference" HN 81 0.548 -0.114 0.539 19739 19 1 4 "Average Difference" N 81 3.050 0.352 3.049 19739 20 1 4 "Average Difference" HA 93 0.464 -0.015 0.466 19739 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19739 22 1 4 "Average Difference" CA 93 2.127 -0.151 2.134 19739 23 1 4 "Average Difference" CB 61 3.000 -0.446 2.991 19739 24 1 4 "Average Difference" HN 81 0.535 -0.078 0.533 19739 25 1 5 "Average Difference" N 81 3.019 0.278 3.025 19739 26 1 5 "Average Difference" HA 93 0.443 0.003 0.445 19739 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19739 28 1 5 "Average Difference" CA 93 2.139 -0.154 2.145 19739 29 1 5 "Average Difference" CB 61 3.218 -0.520 3.202 19739 30 1 5 "Average Difference" HN 81 0.552 -0.091 0.548 19739 31 1 6 "Average Difference" N 81 3.051 0.624 3.005 19739 32 1 6 "Average Difference" HA 93 0.440 0.017 0.442 19739 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19739 34 1 6 "Average Difference" CA 93 2.199 -0.239 2.198 19739 35 1 6 "Average Difference" CB 61 3.143 -0.593 3.113 19739 36 1 6 "Average Difference" HN 81 0.565 -0.116 0.557 19739 37 1 7 "Average Difference" N 81 2.804 0.610 2.754 19739 38 1 7 "Average Difference" HA 93 0.445 -0.012 0.447 19739 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19739 40 1 7 "Average Difference" CA 93 2.118 -0.144 2.124 19739 41 1 7 "Average Difference" CB 61 3.102 -0.550 3.079 19739 42 1 7 "Average Difference" HN 81 0.550 -0.114 0.542 19739 43 1 8 "Average Difference" N 81 2.873 0.295 2.876 19739 44 1 8 "Average Difference" HA 93 0.457 -0.002 0.459 19739 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19739 46 1 8 "Average Difference" CA 93 2.074 -0.184 2.077 19739 47 1 8 "Average Difference" CB 61 3.239 -0.462 3.233 19739 48 1 8 "Average Difference" HN 81 0.559 -0.086 0.556 19739 49 1 9 "Average Difference" N 81 2.968 0.457 2.951 19739 50 1 9 "Average Difference" HA 93 0.451 -0.015 0.453 19739 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19739 52 1 9 "Average Difference" CA 93 2.161 -0.141 2.168 19739 53 1 9 "Average Difference" CB 61 3.074 -0.540 3.051 19739 54 1 9 "Average Difference" HN 81 0.553 -0.104 0.547 19739 55 1 10 "Average Difference" N 81 3.045 0.541 3.016 19739 56 1 10 "Average Difference" HA 93 0.441 -0.017 0.443 19739 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19739 58 1 10 "Average Difference" CA 93 2.104 -0.188 2.107 19739 59 1 10 "Average Difference" CB 61 3.012 -0.456 3.002 19739 60 1 10 "Average Difference" HN 81 0.531 -0.106 0.524 19739 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 19739 _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 24 24 GLN N N 24 121.380 121.380 121.440 -0.060 19739 2 1 . 1 1 24 24 GLN HA H 24 4.494 4.494 4.417 0.078 19739 3 1 . 1 1 24 24 GLN CA C 24 54.966 54.966 54.334 0.632 19739 4 1 . 1 1 24 24 GLN CB C 24 30.135 30.135 29.831 0.304 19739 5 1 . 1 1 24 24 GLN H H 24 8.313 8.313 8.305 0.008 19739 6 1 . 1 1 25 25 ASN N N 25 125.370 125.370 121.479 3.891 19739 7 1 . 1 1 25 25 ASN HA H 25 5.370 5.370 5.376 -0.006 19739 8 1 . 1 1 25 25 ASN CA C 25 53.735 53.735 52.924 0.811 19739 9 1 . 1 1 25 25 ASN CB C 25 39.355 39.355 39.493 -0.138 19739 10 1 . 1 1 25 25 ASN H H 25 8.962 8.962 8.680 0.282 19739 11 1 . 1 1 26 26 ILE N N 26 126.350 126.350 125.860 0.490 19739 12 1 . 1 1 26 26 ILE HA H 26 4.556 4.556 4.450 0.106 19739 13 1 . 1 1 26 26 ILE CA C 26 58.453 58.453 60.493 -2.040 19739 14 1 . 1 1 26 26 ILE CB C 26 39.937 39.937 41.093 -1.156 19739 15 1 . 1 1 26 26 ILE H H 26 9.208 9.208 9.032 0.176 19739 16 1 . 1 1 27 27 THR N N 27 122.550 122.550 121.594 0.956 19739 17 1 . 1 1 27 27 THR HA H 27 5.144 5.144 4.963 0.181 19739 18 1 . 1 1 27 27 THR CA C 27 60.949 60.949 61.324 -0.375 19739 19 1 . 1 1 27 27 THR CB C 27 69.931 69.931 69.181 0.750 19739 20 1 . 1 1 27 27 THR H H 27 8.652 8.652 8.461 0.191 19739 21 1 . 1 1 28 28 ALA N N 28 129.260 129.260 128.764 0.496 19739 22 1 . 1 1 28 28 ALA HA H 28 4.670 4.670 4.699 -0.028 19739 23 1 . 1 1 28 28 ALA CA C 28 50.234 50.234 50.186 0.048 19739 24 1 . 1 1 28 28 ALA CB C 28 23.241 23.241 22.158 1.083 19739 25 1 . 1 1 28 28 ALA H H 28 8.965 8.965 8.903 0.062 19739 26 1 . 1 1 29 29 ARG N N 29 120.870 120.870 119.192 1.678 19739 27 1 . 1 1 29 29 ARG HA H 29 4.349 4.349 4.832 -0.483 19739 28 1 . 1 1 29 29 ARG CA C 29 55.038 55.038 54.359 0.679 19739 29 1 . 1 1 29 29 ARG CB C 29 31.464 31.464 33.080 -1.616 19739 30 1 . 1 1 29 29 ARG H H 29 8.248 8.248 8.609 -0.361 19739 31 1 . 1 1 30 30 ILE N N 30 122.830 122.830 121.488 1.342 19739 32 1 . 1 1 30 30 ILE HA H 30 3.516 3.516 4.479 -0.963 19739 33 1 . 1 1 30 30 ILE CA C 30 62.839 62.839 61.795 1.044 19739 34 1 . 1 1 30 30 ILE CB C 30 38.299 38.299 37.317 0.982 19739 35 1 . 1 1 30 30 ILE H H 30 8.173 8.173 8.651 -0.478 19739 36 1 . 1 1 31 31 GLY N N 31 114.180 114.180 114.632 -0.452 19739 37 1 . 1 1 31 31 GLY CA C 31 44.793 44.793 44.938 -0.146 19739 38 1 . 1 1 31 31 GLY H H 31 9.525 9.525 9.132 0.393 19739 39 1 . 1 1 32 32 GLU N N 32 120.550 120.550 121.682 -1.132 19739 40 1 . 1 1 32 32 GLU HA H 32 4.779 4.779 4.772 0.007 19739 41 1 . 1 1 32 32 GLU CA C 32 55.223 55.223 52.679 2.544 19739 42 1 . 1 1 32 32 GLU CB C 32 29.952 29.952 31.220 -1.268 19739 43 1 . 1 1 32 32 GLU H H 32 7.634 7.634 7.639 -0.005 19739 44 1 . 1 1 33 33 PRO HA H 33 4.563 4.563 5.029 -0.466 19739 45 1 . 1 1 33 33 PRO CA C 33 61.941 61.941 62.584 -0.643 19739 46 1 . 1 1 33 33 PRO CB C 33 32.900 32.900 32.310 0.590 19739 47 1 . 1 1 34 34 LEU N N 34 121.680 121.680 125.912 -4.231 19739 48 1 . 1 1 34 34 LEU HA H 34 4.528 4.528 4.757 -0.229 19739 49 1 . 1 1 34 34 LEU CA C 34 54.176 54.176 54.314 -0.139 19739 50 1 . 1 1 34 34 LEU CB C 34 47.317 47.317 46.456 0.861 19739 51 1 . 1 1 34 34 LEU H H 34 8.519 8.519 8.416 0.103 19739 52 1 . 1 1 35 35 VAL N N 35 124.430 124.430 123.655 0.775 19739 53 1 . 1 1 35 35 VAL HA H 35 5.000 5.000 4.977 0.023 19739 54 1 . 1 1 35 35 VAL CA C 35 60.407 60.407 61.230 -0.823 19739 55 1 . 1 1 35 35 VAL CB C 35 33.515 33.515 32.825 0.690 19739 56 1 . 1 1 35 35 VAL H H 35 8.066 8.066 8.323 -0.257 19739 57 1 . 1 1 36 36 LEU N N 36 126.670 126.670 129.610 -2.940 19739 58 1 . 1 1 36 36 LEU HA H 36 4.390 4.390 4.758 -0.368 19739 59 1 . 1 1 36 36 LEU CA C 36 52.162 52.162 53.622 -1.460 19739 60 1 . 1 1 36 36 LEU H H 36 8.883 8.883 8.975 -0.092 19739 61 1 . 1 1 37 37 LYS N N 37 121.220 121.220 121.239 -0.019 19739 62 1 . 1 1 37 37 LYS HA H 37 4.536 4.536 4.861 -0.325 19739 63 1 . 1 1 37 37 LYS CA C 37 56.666 56.666 55.882 0.784 19739 64 1 . 1 1 37 37 LYS CB C 37 33.609 33.609 33.547 0.062 19739 65 1 . 1 1 37 37 LYS H H 37 8.399 8.399 8.376 0.023 19739 66 1 . 1 1 38 38 CYS N N 38 126.370 126.370 125.175 1.195 19739 67 1 . 1 1 38 38 CYS HA H 38 4.693 4.693 4.904 -0.211 19739 68 1 . 1 1 38 38 CYS CA C 38 56.433 56.433 58.120 -1.687 19739 69 1 . 1 1 38 38 CYS CB C 38 44.031 44.031 27.585 16.447 19739 70 1 . 1 1 38 38 CYS H H 38 8.878 8.878 8.797 0.081 19739 71 1 . 1 1 39 39 LYS N N 39 126.170 126.170 126.533 -0.363 19739 72 1 . 1 1 39 39 LYS HA H 39 3.894 3.894 4.417 -0.523 19739 73 1 . 1 1 39 39 LYS CA C 39 58.617 58.617 56.264 2.353 19739 74 1 . 1 1 39 39 LYS CB C 39 31.967 31.967 32.586 -0.620 19739 75 1 . 1 1 39 39 LYS H H 39 7.686 7.686 8.596 -0.910 19739 76 1 . 1 1 40 40 GLY N N 40 108.770 108.770 107.467 1.303 19739 77 1 . 1 1 40 40 GLY CA C 40 45.092 45.092 45.149 -0.057 19739 78 1 . 1 1 40 40 GLY H H 40 8.228 8.228 8.405 -0.178 19739 79 1 . 1 1 41 41 ALA N N 41 122.190 122.190 124.641 -2.451 19739 80 1 . 1 1 41 41 ALA HA H 41 4.342 4.342 4.709 -0.367 19739 81 1 . 1 1 41 41 ALA CA C 41 49.967 49.967 50.500 -0.533 19739 82 1 . 1 1 41 41 ALA CB C 41 17.899 17.899 18.865 -0.966 19739 83 1 . 1 1 41 41 ALA H H 41 7.403 7.403 8.036 -0.633 19739 84 1 . 1 1 42 42 PRO HA H 42 4.524 4.524 4.581 -0.057 19739 85 1 . 1 1 42 42 PRO CA C 42 62.939 62.939 61.966 0.973 19739 86 1 . 1 1 42 42 PRO CB C 42 32.739 32.739 32.655 0.084 19739 87 1 . 1 1 43 43 LYS N N 43 118.900 118.900 119.931 -1.031 19739 88 1 . 1 1 43 43 LYS HA H 43 4.108 4.108 4.284 -0.176 19739 89 1 . 1 1 43 43 LYS CA C 43 57.869 57.869 56.474 1.395 19739 90 1 . 1 1 43 43 LYS CB C 43 33.223 33.223 30.825 2.399 19739 91 1 . 1 1 43 43 LYS H H 43 8.447 8.447 8.480 -0.033 19739 92 1 . 1 1 44 44 LYS N N 44 115.950 115.950 120.439 -4.489 19739 93 1 . 1 1 44 44 LYS HA H 44 4.621 4.621 4.649 -0.028 19739 94 1 . 1 1 44 44 LYS CA C 44 52.986 52.986 53.513 -0.527 19739 95 1 . 1 1 44 44 LYS H H 44 7.377 7.377 7.626 -0.249 19739 96 1 . 1 1 46 46 PRO CB C 46 34.657 34.657 31.899 2.758 19739 97 1 . 1 1 47 47 GLN HA H 47 4.358 4.358 4.613 -0.255 19739 98 1 . 1 1 47 47 GLN CA C 47 55.007 55.007 54.242 0.764 19739 99 1 . 1 1 47 47 GLN CB C 47 32.700 32.700 30.691 2.009 19739 100 1 . 1 1 48 48 ARG N N 48 125.070 125.070 120.160 4.910 19739 101 1 . 1 1 48 48 ARG HA H 48 4.114 4.114 4.297 -0.183 19739 102 1 . 1 1 48 48 ARG CA C 48 45.590 45.590 56.370 -10.780 19739 103 1 . 1 1 48 48 ARG CB C 48 29.500 29.500 30.881 -1.381 19739 104 1 . 1 1 48 48 ARG H H 48 9.071 9.071 8.608 0.463 19739 105 1 . 1 1 49 49 LEU N N 49 121.150 121.150 126.039 -4.889 19739 106 1 . 1 1 49 49 LEU HA H 49 5.265 5.265 4.732 0.533 19739 107 1 . 1 1 49 49 LEU CA C 49 54.309 54.309 54.044 0.265 19739 108 1 . 1 1 49 49 LEU CB C 49 44.848 44.848 44.370 0.478 19739 109 1 . 1 1 49 49 LEU H H 49 7.798 7.798 8.556 -0.758 19739 110 1 . 1 1 50 50 GLU N N 50 120.200 120.200 126.373 -6.173 19739 111 1 . 1 1 50 50 GLU HA H 50 4.735 4.735 4.456 0.279 19739 112 1 . 1 1 50 50 GLU CA C 50 55.947 55.947 55.158 0.789 19739 113 1 . 1 1 50 50 GLU CB C 50 34.237 34.237 28.719 5.518 19739 114 1 . 1 1 50 50 GLU H H 50 8.380 8.380 8.482 -0.102 19739 115 1 . 1 1 51 51 TRP N N 51 125.560 125.560 127.026 -1.466 19739 116 1 . 1 1 51 51 TRP HA H 51 5.502 5.502 4.395 1.107 19739 117 1 . 1 1 51 51 TRP CA C 51 56.720 56.720 59.925 -3.205 19739 118 1 . 1 1 51 51 TRP CB C 51 32.520 32.520 30.210 2.310 19739 119 1 . 1 1 51 51 TRP H H 51 9.161 9.161 8.052 1.109 19739 120 1 . 1 1 52 52 LYS N N 52 120.150 120.150 123.845 -3.695 19739 121 1 . 1 1 52 52 LYS HA H 52 5.572 5.572 4.842 0.730 19739 122 1 . 1 1 52 52 LYS CA C 52 54.956 54.956 54.941 0.015 19739 123 1 . 1 1 52 52 LYS CB C 52 36.900 36.900 36.584 0.316 19739 124 1 . 1 1 52 52 LYS H H 52 9.775 9.775 7.779 1.996 19739 125 1 . 1 1 53 53 LEU N N 53 122.450 122.450 114.802 7.648 19739 126 1 . 1 1 53 53 LEU HA H 53 5.366 5.366 4.687 0.679 19739 127 1 . 1 1 53 53 LEU CA C 53 54.321 54.321 53.942 0.379 19739 128 1 . 1 1 53 53 LEU H H 53 9.238 9.238 7.759 1.479 19739 129 1 . 1 1 54 54 ASN N N 54 123.200 123.200 119.356 3.845 19739 130 1 . 1 1 54 54 ASN HA H 54 4.777 4.777 4.915 -0.138 19739 131 1 . 1 1 54 54 ASN CA C 54 53.941 53.941 52.951 0.990 19739 132 1 . 1 1 54 54 ASN H H 54 8.913 8.913 8.776 0.137 19739 133 1 . 1 1 55 55 THR N N 55 112.570 112.570 117.144 -4.574 19739 134 1 . 1 1 55 55 THR HA H 55 5.063 5.063 4.603 0.460 19739 135 1 . 1 1 55 55 THR CA C 55 68.927 68.927 60.644 8.283 19739 136 1 . 1 1 55 55 THR H H 55 8.074 8.074 7.914 0.160 19739 137 1 . 1 1 56 56 GLY N N 56 108.640 108.640 109.695 -1.055 19739 138 1 . 1 1 56 56 GLY CA C 56 47.301 47.301 45.731 1.570 19739 139 1 . 1 1 56 56 GLY H H 56 7.982 7.982 8.692 -0.711 19739 140 1 . 1 1 57 57 ARG N N 57 116.810 116.810 120.430 -3.620 19739 141 1 . 1 1 57 57 ARG H H 57 7.955 7.955 8.163 -0.208 19739 142 1 . 1 1 58 58 THR N N 58 108.470 108.470 112.179 -3.709 19739 143 1 . 1 1 58 58 THR HA H 58 4.495 4.495 4.209 0.286 19739 144 1 . 1 1 58 58 THR CA C 58 61.154 61.154 63.109 -1.954 19739 145 1 . 1 1 58 58 THR CB C 58 70.200 70.200 67.792 2.408 19739 146 1 . 1 1 58 58 THR H H 58 7.284 7.284 8.213 -0.929 19739 147 1 . 1 1 59 59 GLU HA H 59 4.106 4.106 4.422 -0.316 19739 148 1 . 1 1 59 59 GLU CA C 59 57.300 57.300 57.800 -0.500 19739 149 1 . 1 1 60 60 ALA N N 60 120.840 120.840 123.132 -2.292 19739 150 1 . 1 1 60 60 ALA HA H 60 4.069 4.069 4.651 -0.582 19739 151 1 . 1 1 60 60 ALA CA C 60 51.691 51.691 51.589 0.102 19739 152 1 . 1 1 60 60 ALA CB C 60 19.620 19.620 18.558 1.062 19739 153 1 . 1 1 60 60 ALA H H 60 7.887 7.887 8.358 -0.471 19739 154 1 . 1 1 61 61 TRP N N 61 118.780 118.780 122.201 -3.421 19739 155 1 . 1 1 61 61 TRP HA H 61 4.101 4.101 4.848 -0.747 19739 156 1 . 1 1 61 61 TRP CA C 61 58.270 58.270 56.941 1.329 19739 157 1 . 1 1 61 61 TRP CB C 61 29.459 29.459 31.049 -1.590 19739 158 1 . 1 1 61 61 TRP H H 61 7.621 7.621 7.736 -0.115 19739 159 1 . 1 1 62 62 LYS N N 62 124.070 124.070 125.367 -1.297 19739 160 1 . 1 1 62 62 LYS HA H 62 4.805 4.805 3.871 0.934 19739 161 1 . 1 1 62 62 LYS CA C 62 54.102 54.102 55.185 -1.083 19739 162 1 . 1 1 62 62 LYS CB C 62 33.024 33.024 35.056 -2.032 19739 163 1 . 1 1 62 62 LYS H H 62 9.201 9.201 8.073 1.128 19739 164 1 . 1 1 63 63 VAL N N 63 120.380 120.380 123.602 -3.223 19739 165 1 . 1 1 63 63 VAL HA H 63 5.031 5.031 3.873 1.158 19739 166 1 . 1 1 63 63 VAL CA C 63 60.337 60.337 61.940 -1.603 19739 167 1 . 1 1 63 63 VAL CB C 63 33.710 33.710 31.785 1.926 19739 168 1 . 1 1 63 63 VAL H H 63 9.268 9.268 7.985 1.283 19739 169 1 . 1 1 64 64 LEU HA H 64 4.650 4.650 4.444 0.206 19739 170 1 . 1 1 64 64 LEU CA C 64 53.976 53.976 53.709 0.267 19739 171 1 . 1 1 64 64 LEU CB C 64 43.868 43.868 43.505 0.363 19739 172 1 . 1 1 65 65 SER N N 65 117.960 117.960 115.055 2.905 19739 173 1 . 1 1 65 65 SER HA H 65 5.092 5.092 4.870 0.222 19739 174 1 . 1 1 65 65 SER CA C 65 55.790 55.790 55.210 0.580 19739 175 1 . 1 1 65 65 SER CB C 65 64.408 64.408 65.062 -0.654 19739 176 1 . 1 1 65 65 SER H H 65 8.654 8.654 8.252 0.402 19739 177 1 . 1 1 66 66 PRO HA H 66 4.349 4.349 4.493 -0.144 19739 178 1 . 1 1 66 66 PRO CA C 66 64.551 64.551 64.183 0.368 19739 179 1 . 1 1 67 67 GLN N N 67 116.960 116.960 117.246 -0.286 19739 180 1 . 1 1 67 67 GLN HA H 67 4.334 4.334 4.503 -0.169 19739 181 1 . 1 1 67 67 GLN CA C 67 56.604 56.604 55.468 1.136 19739 182 1 . 1 1 67 67 GLN CB C 67 28.733 28.733 30.428 -1.695 19739 183 1 . 1 1 67 67 GLN H H 67 8.212 8.212 7.875 0.337 19739 184 1 . 1 1 68 68 GLY N N 68 108.700 108.700 107.597 1.103 19739 185 1 . 1 1 68 68 GLY CA C 68 45.764 45.764 44.813 0.951 19739 186 1 . 1 1 68 68 GLY H H 68 8.069 8.069 7.606 0.463 19739 187 1 . 1 1 69 69 GLY N N 69 109.370 109.370 107.351 2.019 19739 188 1 . 1 1 69 69 GLY CA C 69 45.053 45.053 44.640 0.413 19739 189 1 . 1 1 69 69 GLY H H 69 8.354 8.354 8.473 -0.119 19739 190 1 . 1 1 70 70 GLY N N 70 109.700 109.700 106.746 2.954 19739 191 1 . 1 1 70 70 GLY CA C 70 45.078 45.078 44.781 0.297 19739 192 1 . 1 1 70 70 GLY H H 70 8.428 8.428 7.812 0.616 19739 193 1 . 1 1 71 71 PRO HA H 71 4.360 4.360 4.385 -0.025 19739 194 1 . 1 1 71 71 PRO CA C 71 64.324 64.324 64.222 0.102 19739 195 1 . 1 1 71 71 PRO CB C 71 32.100 32.100 31.856 0.244 19739 196 1 . 1 1 72 72 TRP N N 72 118.420 118.420 120.954 -2.534 19739 197 1 . 1 1 72 72 TRP HA H 72 4.398 4.398 4.484 -0.086 19739 198 1 . 1 1 72 72 TRP CA C 72 59.360 59.360 59.203 0.157 19739 199 1 . 1 1 72 72 TRP CB C 72 28.669 28.669 29.570 -0.901 19739 200 1 . 1 1 72 72 TRP H H 72 8.204 8.204 7.997 0.207 19739 201 1 . 1 1 73 73 ASP N N 73 119.400 119.400 119.805 -0.405 19739 202 1 . 1 1 73 73 ASP HA H 73 4.425 4.425 4.570 -0.145 19739 203 1 . 1 1 73 73 ASP CA C 73 57.046 57.046 56.527 0.519 19739 204 1 . 1 1 73 73 ASP CB C 73 40.621 40.621 40.934 -0.313 19739 205 1 . 1 1 73 73 ASP H H 73 7.686 7.686 7.919 -0.233 19739 206 1 . 1 1 74 74 SER N N 74 110.610 110.610 114.175 -3.565 19739 207 1 . 1 1 74 74 SER HA H 74 4.250 4.250 4.345 -0.095 19739 208 1 . 1 1 74 74 SER CA C 74 59.125 59.125 59.950 -0.825 19739 209 1 . 1 1 74 74 SER H H 74 7.563 7.563 7.810 -0.247 19739 210 1 . 1 1 75 75 VAL N N 75 119.230 119.230 120.097 -0.867 19739 211 1 . 1 1 75 75 VAL HA H 75 3.799 3.799 4.004 -0.204 19739 212 1 . 1 1 75 75 VAL CA C 75 63.657 63.657 62.633 1.024 19739 213 1 . 1 1 75 75 VAL H H 75 7.740 7.740 7.295 0.445 19739 214 1 . 1 1 76 76 ALA N N 76 120.240 120.240 120.008 0.232 19739 215 1 . 1 1 76 76 ALA CA C 76 51.869 51.869 50.029 1.839 19739 216 1 . 1 1 76 76 ALA H H 76 7.994 7.994 7.729 0.265 19739 217 1 . 1 1 77 77 ARG N N 77 119.730 119.730 121.791 -2.061 19739 218 1 . 1 1 77 77 ARG HA H 77 4.912 4.912 4.705 0.207 19739 219 1 . 1 1 77 77 ARG CA C 77 51.681 51.681 53.482 -1.801 19739 220 1 . 1 1 77 77 ARG CB C 77 20.705 20.705 32.727 -12.022 19739 221 1 . 1 1 77 77 ARG H H 77 8.796 8.796 8.349 0.447 19739 222 1 . 1 1 78 78 VAL N N 78 123.460 123.460 124.966 -1.506 19739 223 1 . 1 1 78 78 VAL HA H 78 4.351 4.351 4.717 -0.366 19739 224 1 . 1 1 78 78 VAL CA C 78 62.220 62.220 61.707 0.513 19739 225 1 . 1 1 78 78 VAL H H 78 8.583 8.583 8.511 0.073 19739 226 1 . 1 1 79 79 LEU N N 79 128.990 128.990 129.983 -0.993 19739 227 1 . 1 1 79 79 LEU CA C 79 53.812 53.812 51.925 1.887 19739 228 1 . 1 1 79 79 LEU H H 79 9.319 9.319 9.030 0.289 19739 229 1 . 1 1 80 80 PRO HA H 80 4.397 4.397 4.319 0.078 19739 230 1 . 1 1 80 80 PRO CA C 80 63.511 63.511 65.031 -1.520 19739 231 1 . 1 1 80 80 PRO CB C 80 31.700 31.700 31.664 0.036 19739 232 1 . 1 1 81 81 ASN N N 81 109.840 109.840 114.717 -4.877 19739 233 1 . 1 1 81 81 ASN HA H 81 4.573 4.573 4.662 -0.089 19739 234 1 . 1 1 81 81 ASN CA C 81 52.165 52.165 52.707 -0.542 19739 235 1 . 1 1 81 81 ASN CB C 81 37.200 37.200 37.857 -0.657 19739 236 1 . 1 1 81 81 ASN H H 81 7.297 7.297 8.128 -0.831 19739 237 1 . 1 1 82 82 GLY N N 82 108.850 108.850 108.453 0.397 19739 238 1 . 1 1 82 82 GLY CA C 82 45.755 45.755 45.214 0.541 19739 239 1 . 1 1 82 82 GLY H H 82 8.579 8.579 8.375 0.204 19739 240 1 . 1 1 83 83 SER N N 83 115.150 115.150 116.200 -1.050 19739 241 1 . 1 1 83 83 SER HA H 83 4.824 4.824 5.350 -0.526 19739 242 1 . 1 1 83 83 SER CA C 83 60.327 60.327 57.985 2.342 19739 243 1 . 1 1 83 83 SER H H 83 7.775 7.775 7.895 -0.120 19739 244 1 . 1 1 84 84 LEU N N 84 123.650 123.650 125.719 -2.069 19739 245 1 . 1 1 84 84 LEU HA H 84 4.279 4.279 5.031 -0.752 19739 246 1 . 1 1 84 84 LEU CA C 84 53.621 53.621 53.956 -0.335 19739 247 1 . 1 1 84 84 LEU CB C 84 42.079 42.079 44.869 -2.790 19739 248 1 . 1 1 84 84 LEU H H 84 8.781 8.781 9.136 -0.355 19739 249 1 . 1 1 85 85 PHE N N 85 126.120 126.120 128.159 -2.039 19739 250 1 . 1 1 85 85 PHE HA H 85 5.368 5.368 5.205 0.163 19739 251 1 . 1 1 85 85 PHE CA C 85 54.193 54.193 55.249 -1.057 19739 252 1 . 1 1 85 85 PHE CB C 85 46.443 46.443 41.632 4.811 19739 253 1 . 1 1 85 85 PHE H H 85 8.991 8.991 9.370 -0.379 19739 254 1 . 1 1 86 86 LEU N N 86 129.500 129.500 129.118 0.382 19739 255 1 . 1 1 86 86 LEU CA C 86 54.164 54.164 51.393 2.771 19739 256 1 . 1 1 86 86 LEU H H 86 8.682 8.682 8.771 -0.089 19739 257 1 . 1 1 87 87 PRO HA H 87 3.409 3.409 3.912 -0.503 19739 258 1 . 1 1 87 87 PRO CA C 87 64.101 64.101 64.289 -0.188 19739 259 1 . 1 1 87 87 PRO CB C 87 32.044 32.044 31.835 0.209 19739 260 1 . 1 1 88 88 ALA N N 88 115.010 115.010 117.957 -2.946 19739 261 1 . 1 1 88 88 ALA HA H 88 3.608 3.608 4.399 -0.790 19739 262 1 . 1 1 88 88 ALA CA C 88 51.627 51.627 51.383 0.244 19739 263 1 . 1 1 88 88 ALA CB C 88 18.900 18.900 20.369 -1.469 19739 264 1 . 1 1 88 88 ALA H H 88 7.151 7.151 7.541 -0.391 19739 265 1 . 1 1 89 89 VAL N N 89 124.890 124.890 125.264 -0.374 19739 266 1 . 1 1 89 89 VAL HA H 89 3.793 3.793 4.143 -0.350 19739 267 1 . 1 1 89 89 VAL CA C 89 64.159 64.159 62.847 1.312 19739 268 1 . 1 1 89 89 VAL CB C 89 31.904 31.904 32.008 -0.104 19739 269 1 . 1 1 89 89 VAL H H 89 8.066 8.066 8.198 -0.132 19739 270 1 . 1 1 90 90 GLY N N 90 116.780 116.780 115.916 0.864 19739 271 1 . 1 1 90 90 GLY CA C 90 43.493 43.493 44.385 -0.892 19739 272 1 . 1 1 90 90 GLY H H 90 9.715 9.715 9.347 0.368 19739 273 1 . 1 1 91 91 ILE N N 91 118.490 118.490 114.911 3.579 19739 274 1 . 1 1 91 91 ILE HA H 91 3.802 3.802 4.374 -0.572 19739 275 1 . 1 1 91 91 ILE CA C 91 63.781 63.781 62.456 1.325 19739 276 1 . 1 1 91 91 ILE CB C 91 38.400 38.400 38.442 -0.042 19739 277 1 . 1 1 91 91 ILE H H 91 8.596 8.596 8.083 0.513 19739 278 1 . 1 1 92 92 GLN N N 92 116.720 116.720 119.821 -3.101 19739 279 1 . 1 1 92 92 GLN CA C 92 57.231 57.231 58.030 -0.799 19739 280 1 . 1 1 92 92 GLN H H 92 8.682 8.682 8.316 0.366 19739 281 1 . 1 1 93 93 ASP N N 93 115.890 115.890 116.833 -0.943 19739 282 1 . 1 1 93 93 ASP HA H 93 4.631 4.631 4.905 -0.274 19739 283 1 . 1 1 93 93 ASP CA C 93 55.709 55.709 54.114 1.595 19739 284 1 . 1 1 93 93 ASP CB C 93 41.900 41.900 40.376 1.524 19739 285 1 . 1 1 93 93 ASP H H 93 7.644 7.644 8.393 -0.750 19739 286 1 . 1 1 94 94 GLU N N 94 112.880 112.880 120.128 -7.248 19739 287 1 . 1 1 94 94 GLU HA H 94 4.091 4.091 4.188 -0.097 19739 288 1 . 1 1 94 94 GLU CA C 94 57.726 57.726 56.487 1.239 19739 289 1 . 1 1 94 94 GLU CB C 94 30.544 30.544 29.914 0.630 19739 290 1 . 1 1 94 94 GLU H H 94 6.666 6.666 7.468 -0.802 19739 291 1 . 1 1 95 95 GLY N N 95 109.750 109.750 109.574 0.176 19739 292 1 . 1 1 95 95 GLY CA C 95 45.059 45.059 44.828 0.231 19739 293 1 . 1 1 95 95 GLY H H 95 8.024 8.024 7.809 0.215 19739 294 1 . 1 1 96 96 ILE N N 96 119.990 119.990 120.761 -0.770 19739 295 1 . 1 1 96 96 ILE HA H 96 5.361 5.361 5.004 0.357 19739 296 1 . 1 1 96 96 ILE CA C 96 59.635 59.635 60.123 -0.488 19739 297 1 . 1 1 96 96 ILE CB C 96 40.300 40.300 38.309 1.991 19739 298 1 . 1 1 96 96 ILE H H 96 7.658 7.658 7.740 -0.082 19739 299 1 . 1 1 97 97 PHE N N 97 124.050 124.050 127.197 -3.147 19739 300 1 . 1 1 97 97 PHE HA H 97 5.312 5.312 4.569 0.744 19739 301 1 . 1 1 97 97 PHE CA C 97 56.466 56.466 57.075 -0.610 19739 302 1 . 1 1 97 97 PHE CB C 97 43.544 43.544 40.594 2.950 19739 303 1 . 1 1 97 97 PHE H H 97 9.194 9.194 8.722 0.472 19739 304 1 . 1 1 98 98 ARG HA H 98 5.742 5.742 5.086 0.656 19739 305 1 . 1 1 98 98 ARG CA C 98 54.501 54.501 55.230 -0.729 19739 306 1 . 1 1 98 98 ARG CB C 98 35.283 35.283 32.635 2.648 19739 307 1 . 1 1 99 99 CYS N N 99 121.320 121.320 125.618 -4.298 19739 308 1 . 1 1 99 99 CYS HA H 99 4.905 4.905 4.372 0.533 19739 309 1 . 1 1 99 99 CYS CA C 99 54.199 54.199 59.334 -5.135 19739 310 1 . 1 1 99 99 CYS H H 99 8.625 8.625 8.778 -0.153 19739 311 1 . 1 1 100 100 GLN N N 100 127.220 127.220 124.776 2.444 19739 312 1 . 1 1 100 100 GLN CA C 100 54.842 54.842 54.710 0.132 19739 313 1 . 1 1 100 100 GLN CB C 100 31.600 31.600 32.296 -0.696 19739 314 1 . 1 1 100 100 GLN H H 100 8.390 8.390 8.058 0.332 19739 315 1 . 1 1 101 101 ALA N N 101 126.770 126.770 126.247 0.523 19739 316 1 . 1 1 101 101 ALA HA H 101 4.275 4.275 4.604 -0.329 19739 317 1 . 1 1 101 101 ALA CA C 101 50.552 50.552 50.692 -0.140 19739 318 1 . 1 1 101 101 ALA CB C 101 22.877 22.877 21.941 0.936 19739 319 1 . 1 1 101 101 ALA H H 101 8.623 8.623 8.468 0.155 19739 320 1 . 1 1 102 102 MET N N 102 119.560 119.560 121.016 -1.456 19739 321 1 . 1 1 102 102 MET HA H 102 4.959 4.959 5.297 -0.338 19739 322 1 . 1 1 102 102 MET CA C 102 54.225 54.225 53.637 0.588 19739 323 1 . 1 1 102 102 MET H H 102 8.085 8.085 8.237 -0.152 19739 324 1 . 1 1 103 103 ASN N N 103 122.280 122.280 123.358 -1.078 19739 325 1 . 1 1 103 103 ASN HA H 103 4.856 4.856 4.849 0.007 19739 326 1 . 1 1 103 103 ASN CA C 103 51.585 51.585 52.021 -0.436 19739 327 1 . 1 1 103 103 ASN CB C 103 39.479 39.479 40.847 -1.368 19739 328 1 . 1 1 103 103 ASN H H 103 8.370 8.370 8.311 0.059 19739 329 1 . 1 1 104 104 ARG HA H 104 4.110 4.110 4.211 -0.101 19739 330 1 . 1 1 104 104 ARG CA C 104 58.633 58.633 58.307 0.326 19739 331 1 . 1 1 104 104 ARG CB C 104 29.675 29.675 29.830 -0.155 19739 332 1 . 1 1 105 105 ASN N N 105 115.430 115.430 115.860 -0.430 19739 333 1 . 1 1 105 105 ASN HA H 105 4.787 4.787 4.761 0.026 19739 334 1 . 1 1 105 105 ASN CA C 105 52.846 52.846 52.980 -0.134 19739 335 1 . 1 1 105 105 ASN CB C 105 38.800 38.800 38.961 -0.161 19739 336 1 . 1 1 105 105 ASN H H 105 7.922 7.922 7.989 -0.067 19739 337 1 . 1 1 106 106 GLY N N 106 107.550 107.550 108.538 -0.988 19739 338 1 . 1 1 106 106 GLY CA C 106 45.920 45.920 45.307 0.613 19739 339 1 . 1 1 106 106 GLY H H 106 8.036 8.036 7.934 0.102 19739 340 1 . 1 1 107 107 LYS N N 107 119.970 119.970 122.009 -2.039 19739 341 1 . 1 1 107 107 LYS CA C 107 55.010 55.010 55.439 -0.429 19739 342 1 . 1 1 107 107 LYS H H 107 7.716 7.716 7.713 0.003 19739 343 1 . 1 1 108 108 GLU N N 108 125.660 125.660 123.527 2.133 19739 344 1 . 1 1 108 108 GLU HA H 108 4.990 4.990 5.375 -0.386 19739 345 1 . 1 1 108 108 GLU CA C 108 55.524 55.524 54.705 0.819 19739 346 1 . 1 1 108 108 GLU CB C 108 32.080 32.080 32.292 -0.212 19739 347 1 . 1 1 108 108 GLU H H 108 8.706 8.706 8.544 0.162 19739 348 1 . 1 1 109 109 THR N N 109 121.300 121.300 112.938 8.362 19739 349 1 . 1 1 109 109 THR HA H 109 4.485 4.485 4.443 0.042 19739 350 1 . 1 1 109 109 THR CA C 109 62.448 62.448 61.320 1.127 19739 351 1 . 1 1 109 109 THR CB C 109 70.670 70.670 70.460 0.210 19739 352 1 . 1 1 109 109 THR H H 109 9.059 9.059 8.254 0.805 19739 353 1 . 1 1 110 110 LYS N N 110 127.017 127.017 127.446 -0.429 19739 354 1 . 1 1 110 110 LYS CA C 110 55.463 55.463 55.602 -0.139 19739 355 1 . 1 1 110 110 LYS H H 110 8.776 8.776 8.490 0.286 19739 356 1 . 1 1 111 111 SER HA H 111 4.628 4.628 4.514 0.114 19739 357 1 . 1 1 111 111 SER CA C 111 65.621 65.621 57.484 8.137 19739 358 1 . 1 1 112 112 ASN HA H 112 4.532 4.532 5.565 -1.033 19739 359 1 . 1 1 112 112 ASN CA C 112 56.368 56.368 52.731 3.637 19739 360 1 . 1 1 113 113 TYR N N 113 121.350 121.350 122.059 -0.709 19739 361 1 . 1 1 113 113 TYR HA H 113 5.596 5.596 4.810 0.786 19739 362 1 . 1 1 113 113 TYR CA C 113 56.721 56.721 57.167 -0.446 19739 363 1 . 1 1 113 113 TYR H H 113 9.582 9.582 9.041 0.541 19739 364 1 . 1 1 114 114 ARG HA H 114 5.263 5.263 4.930 0.333 19739 365 1 . 1 1 114 114 ARG CA C 114 53.811 53.811 54.155 -0.344 19739 366 1 . 1 1 115 115 VAL N N 115 128.860 128.860 126.370 2.490 19739 367 1 . 1 1 115 115 VAL CA C 115 62.112 62.112 61.492 0.620 19739 368 1 . 1 1 115 115 VAL CB C 115 33.829 33.829 32.249 1.580 19739 369 1 . 1 1 115 115 VAL H H 115 9.299 9.299 8.189 1.110 19739 370 1 . 1 1 116 116 ARG N N 116 128.100 128.100 127.538 0.561 19739 371 1 . 1 1 116 116 ARG HA H 116 4.945 4.945 4.976 -0.031 19739 372 1 . 1 1 116 116 ARG CA C 116 54.221 54.221 53.932 0.289 19739 373 1 . 1 1 116 116 ARG CB C 116 34.017 34.017 33.631 0.386 19739 374 1 . 1 1 116 116 ARG H H 116 8.728 8.728 9.002 -0.274 19739 375 1 . 1 1 117 117 VAL N N 117 120.340 120.340 121.396 -1.056 19739 376 1 . 1 1 117 117 VAL HA H 117 5.019 5.019 4.894 0.125 19739 377 1 . 1 1 117 117 VAL CA C 117 60.524 60.524 60.117 0.407 19739 378 1 . 1 1 117 117 VAL CB C 117 32.645 32.645 33.182 -0.537 19739 379 1 . 1 1 117 117 VAL H H 117 9.226 9.226 8.681 0.544 19739 380 1 . 1 1 118 118 TYR N N 118 122.880 122.880 119.922 2.958 19739 381 1 . 1 1 118 118 TYR HA H 118 4.750 4.750 4.337 0.413 19739 382 1 . 1 1 118 118 TYR CA C 118 56.857 56.857 60.845 -3.988 19739 383 1 . 1 1 118 118 TYR CB C 118 41.091 41.091 38.803 2.288 19739 384 1 . 1 1 118 118 TYR H H 118 8.668 8.668 7.960 0.708 19739 385 1 . 1 1 119 119 GLN N N 119 121.740 121.740 118.973 2.767 19739 386 1 . 1 1 119 119 GLN HA H 119 4.348 4.348 4.507 -0.159 19739 387 1 . 1 1 119 119 GLN CA C 119 54.957 54.957 55.152 -0.195 19739 388 1 . 1 1 119 119 GLN CB C 119 30.303 30.303 28.074 2.229 19739 389 1 . 1 1 119 119 GLN H H 119 8.351 8.351 8.211 0.140 19739 390 1 . 1 1 120 120 ILE N N 120 123.720 123.720 120.159 3.561 19739 391 1 . 1 1 120 120 ILE H H 120 8.034 8.034 7.944 0.090 19739 stop_ save_