data_25150 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25150 _Entry.PDB_ID 2MT6 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 25150 _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 6 6 LYS HA H 6 4.294 4.294 4.204 0.090 25150 2 1 1 . 1 1 6 6 LYS C C 6 176.970 176.970 178.992 -2.022 25150 3 1 1 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.402 -1.032 25150 4 1 1 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.435 0.045 25150 5 1 1 . 1 1 7 7 ARG N N 7 119.704 119.704 119.836 -0.132 25150 6 1 1 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.095 0.103 25150 7 1 1 . 1 1 7 7 ARG C C 7 178.270 178.270 178.828 -0.558 25150 8 1 1 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.752 0.278 25150 9 1 1 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.665 -1.105 25150 10 1 1 . 1 1 7 7 ARG H H 7 8.599 8.599 8.292 0.307 25150 11 1 1 . 1 1 8 8 LEU N N 8 119.704 119.704 119.166 0.538 25150 12 1 1 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.995 0.095 25150 13 1 1 . 1 1 8 8 LEU C C 8 178.980 178.980 179.257 -0.277 25150 14 1 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.722 0.568 25150 15 1 1 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.296 0.764 25150 16 1 1 . 1 1 8 8 LEU H H 8 8.599 8.599 7.987 0.612 25150 17 1 1 . 1 1 9 9 GLN N N 9 117.512 117.512 119.027 -1.515 25150 18 1 1 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.955 0.082 25150 19 1 1 . 1 1 9 9 GLN C C 9 178.610 178.610 178.234 0.376 25150 20 1 1 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.459 -0.149 25150 21 1 1 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.494 -0.014 25150 22 1 1 . 1 1 9 9 GLN H H 9 8.066 8.066 8.656 -0.590 25150 23 1 1 . 1 1 10 10 LYS N N 10 119.556 119.556 120.493 -0.937 25150 24 1 1 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.933 0.147 25150 25 1 1 . 1 1 10 10 LYS C C 10 180.040 180.040 178.974 1.066 25150 26 1 1 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.840 -0.160 25150 27 1 1 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.450 0.009 25150 28 1 1 . 1 1 10 10 LYS H H 10 7.678 7.678 8.245 -0.567 25150 29 1 1 . 1 1 11 11 GLU N N 11 120.347 120.347 119.857 0.490 25150 30 1 1 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.134 0.042 25150 31 1 1 . 1 1 11 11 GLU C C 11 178.770 178.770 178.736 0.034 25150 32 1 1 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.140 1.900 25150 33 1 1 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.509 1.151 25150 34 1 1 . 1 1 11 11 GLU H H 11 8.533 8.533 8.140 0.393 25150 35 1 1 . 1 1 12 12 LEU N N 12 123.285 123.285 121.542 1.743 25150 36 1 1 . 1 1 12 12 LEU C C 12 178.570 178.570 178.548 0.022 25150 37 1 1 . 1 1 12 12 LEU CA C 12 58.120 58.120 58.102 0.017 25150 38 1 1 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.771 -0.691 25150 39 1 1 . 1 1 12 12 LEU H H 12 8.685 8.685 8.394 0.291 25150 40 1 1 . 1 1 13 13 LEU N N 13 118.881 118.881 117.629 1.252 25150 41 1 1 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.858 0.139 25150 42 1 1 . 1 1 13 13 LEU C C 13 179.260 179.260 178.780 0.480 25150 43 1 1 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.758 0.142 25150 44 1 1 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.213 0.677 25150 45 1 1 . 1 1 13 13 LEU H H 13 7.588 7.588 8.091 -0.503 25150 46 1 1 . 1 1 14 14 ALA N N 14 120.667 120.667 122.748 -2.081 25150 47 1 1 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.014 0.176 25150 48 1 1 . 1 1 14 14 ALA C C 14 176.270 176.270 179.625 -3.355 25150 49 1 1 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.272 -0.082 25150 50 1 1 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.247 -0.217 25150 51 1 1 . 1 1 14 14 ALA H H 14 7.617 7.617 8.060 -0.443 25150 52 1 1 . 1 1 15 15 LEU N N 15 119.965 119.965 116.557 3.408 25150 53 1 1 . 1 1 15 15 LEU CA C 15 57.450 57.450 56.652 0.798 25150 54 1 1 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.654 0.606 25150 55 1 1 . 1 1 15 15 LEU H H 15 7.726 7.726 7.953 -0.227 25150 56 1 1 . 1 1 16 16 GLN N N 16 115.381 115.381 116.991 -1.610 25150 57 1 1 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.135 -0.157 25150 58 1 1 . 1 1 16 16 GLN C C 16 177.950 177.950 177.824 0.126 25150 59 1 1 . 1 1 16 16 GLN CA C 16 58.460 58.460 57.525 0.935 25150 60 1 1 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.699 1.091 25150 61 1 1 . 1 1 16 16 GLN H H 16 8.028 8.028 8.168 -0.141 25150 62 1 1 . 1 1 17 17 ASN N N 17 114.975 114.975 117.363 -2.388 25150 63 1 1 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.610 0.020 25150 64 1 1 . 1 1 17 17 ASN C C 17 175.303 175.303 175.416 -0.113 25150 65 1 1 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.033 -0.153 25150 66 1 1 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.516 0.334 25150 67 1 1 . 1 1 17 17 ASN H H 17 8.136 8.136 8.245 -0.109 25150 68 1 1 . 1 1 18 18 ASP N N 18 119.698 119.698 118.512 1.186 25150 69 1 1 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.189 1.271 25150 70 1 1 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.309 -0.799 25150 71 1 1 . 1 1 18 18 ASP H H 18 8.218 8.218 8.232 -0.014 25150 72 1 1 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.324 -0.009 25150 73 1 1 . 1 1 21 21 PRO C C 21 177.867 177.867 177.872 -0.005 25150 74 1 1 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.193 -0.373 25150 75 1 1 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.830 -0.260 25150 76 1 1 . 1 1 22 22 GLY N N 22 111.293 111.293 111.419 -0.126 25150 77 1 1 . 1 1 22 22 GLY C C 22 174.342 174.342 174.338 0.004 25150 78 1 1 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.086 0.904 25150 79 1 1 . 1 1 22 22 GLY H H 22 8.506 8.506 8.659 -0.153 25150 80 1 1 . 1 1 23 23 MET N N 23 118.966 118.966 119.983 -1.017 25150 81 1 1 . 1 1 23 23 MET HA H 23 5.699 5.699 5.701 -0.002 25150 82 1 1 . 1 1 23 23 MET C C 23 175.386 175.386 175.890 -0.504 25150 83 1 1 . 1 1 23 23 MET CA C 23 55.270 55.270 53.199 2.071 25150 84 1 1 . 1 1 23 23 MET CB C 23 35.890 35.890 34.327 1.563 25150 85 1 1 . 1 1 23 23 MET H H 23 8.017 8.017 7.964 0.053 25150 86 1 1 . 1 1 24 24 THR N N 24 112.647 112.647 118.031 -5.384 25150 87 1 1 . 1 1 24 24 THR HA H 24 4.596 4.596 4.585 0.011 25150 88 1 1 . 1 1 24 24 THR C C 24 173.407 173.407 172.812 0.595 25150 89 1 1 . 1 1 24 24 THR CA C 24 60.850 60.850 61.758 -0.908 25150 90 1 1 . 1 1 24 24 THR CB C 24 72.360 72.360 72.199 0.161 25150 91 1 1 . 1 1 24 24 THR H H 24 8.565 8.565 8.785 -0.220 25150 92 1 1 . 1 1 25 25 LEU N N 25 126.920 126.920 128.360 -1.440 25150 93 1 1 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.890 -0.594 25150 94 1 1 . 1 1 25 25 LEU C C 25 175.624 175.624 175.201 0.423 25150 95 1 1 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.911 2.259 25150 96 1 1 . 1 1 25 25 LEU CB C 25 42.710 42.710 43.550 -0.840 25150 97 1 1 . 1 1 25 25 LEU H H 25 9.189 9.189 8.758 0.431 25150 98 1 1 . 1 1 26 26 ASN N N 26 127.108 127.108 125.802 1.306 25150 99 1 1 . 1 1 26 26 ASN C C 26 173.783 173.783 173.797 -0.014 25150 100 1 1 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.780 2.320 25150 101 1 1 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.266 0.104 25150 102 1 1 . 1 1 26 26 ASN H H 26 9.000 9.000 8.995 0.005 25150 103 1 1 . 1 1 27 27 GLU N N 27 108.990 108.990 126.227 -17.237 25150 104 1 1 . 1 1 27 27 GLU CA C 27 56.610 56.610 57.453 -0.843 25150 105 1 1 . 1 1 27 27 GLU H H 27 7.631 7.631 8.608 -0.977 25150 106 1 1 . 1 1 30 30 VAL C C 30 177.011 177.011 176.591 0.420 25150 107 1 1 . 1 1 30 30 VAL CA C 30 55.230 55.230 60.276 -5.046 25150 108 1 1 . 1 1 30 30 VAL CB C 30 30.860 30.860 35.366 -4.506 25150 109 1 1 . 1 1 31 31 GLN N N 31 125.960 125.960 122.396 3.564 25150 110 1 1 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.204 0.226 25150 111 1 1 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.078 1.052 25150 112 1 1 . 1 1 31 31 GLN H H 31 7.880 7.880 8.900 -1.020 25150 113 1 1 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.568 0.092 25150 114 1 1 . 1 1 34 34 ILE C C 34 178.642 178.642 174.882 3.760 25150 115 1 1 . 1 1 34 34 ILE CA C 34 54.970 54.970 58.348 -3.378 25150 116 1 1 . 1 1 34 34 ILE CB C 34 42.000 42.000 41.708 0.292 25150 117 1 1 . 1 1 35 35 THR N N 35 110.980 110.980 119.242 -8.262 25150 118 1 1 . 1 1 35 35 THR CA C 35 61.070 61.070 63.307 -2.237 25150 119 1 1 . 1 1 35 35 THR CB C 35 69.090 69.090 69.336 -0.246 25150 120 1 1 . 1 1 35 35 THR H H 35 7.825 7.825 8.542 -0.717 25150 121 1 1 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.414 0.210 25150 122 1 1 . 1 1 36 36 GLN C C 36 174.178 174.178 174.902 -0.724 25150 123 1 1 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.619 0.471 25150 124 1 1 . 1 1 36 36 GLN CB C 36 32.290 32.290 33.152 -0.862 25150 125 1 1 . 1 1 37 37 TRP N N 37 123.942 123.942 123.843 0.099 25150 126 1 1 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.018 0.558 25150 127 1 1 . 1 1 37 37 TRP C C 37 174.959 174.959 175.264 -0.305 25150 128 1 1 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.522 -0.892 25150 129 1 1 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.008 0.942 25150 130 1 1 . 1 1 37 37 TRP H H 37 9.242 9.242 9.200 0.042 25150 131 1 1 . 1 1 38 38 ILE N N 38 121.559 121.559 122.735 -1.176 25150 132 1 1 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.330 -0.051 25150 133 1 1 . 1 1 38 38 ILE CA C 38 59.430 59.430 58.873 0.557 25150 134 1 1 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.077 0.163 25150 135 1 1 . 1 1 38 38 ILE H H 38 8.778 8.778 8.933 -0.155 25150 136 1 1 . 1 1 39 39 VAL N N 39 128.719 128.719 127.053 1.666 25150 137 1 1 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.853 -0.272 25150 138 1 1 . 1 1 39 39 VAL C C 39 175.175 175.175 174.895 0.280 25150 139 1 1 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.487 0.763 25150 140 1 1 . 1 1 39 39 VAL CB C 39 35.850 35.850 35.210 0.640 25150 141 1 1 . 1 1 39 39 VAL H H 39 9.533 9.533 9.063 0.470 25150 142 1 1 . 1 1 40 40 ASP N N 40 128.451 128.451 128.166 0.285 25150 143 1 1 . 1 1 40 40 ASP HA H 40 5.218 5.218 4.957 0.261 25150 144 1 1 . 1 1 40 40 ASP C C 40 175.157 175.157 174.545 0.612 25150 145 1 1 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.947 1.363 25150 146 1 1 . 1 1 40 40 ASP CB C 40 42.500 42.500 41.845 0.655 25150 147 1 1 . 1 1 40 40 ASP H H 40 9.165 9.165 8.946 0.219 25150 148 1 1 . 1 1 41 41 MET N N 41 120.544 120.544 127.919 -7.375 25150 149 1 1 . 1 1 41 41 MET HA H 41 5.467 5.467 5.057 0.410 25150 150 1 1 . 1 1 41 41 MET C C 41 173.590 173.590 174.226 -0.636 25150 151 1 1 . 1 1 41 41 MET CA C 41 54.610 54.610 54.405 0.205 25150 152 1 1 . 1 1 41 41 MET CB C 41 37.490 37.490 35.794 1.696 25150 153 1 1 . 1 1 41 41 MET H H 41 8.756 8.756 9.039 -0.283 25150 154 1 1 . 1 1 42 42 GLU N N 42 125.740 125.740 128.823 -3.083 25150 155 1 1 . 1 1 42 42 GLU HA H 42 5.010 5.010 4.992 0.018 25150 156 1 1 . 1 1 42 42 GLU C C 42 177.323 177.323 177.183 0.140 25150 157 1 1 . 1 1 42 42 GLU CA C 42 54.480 54.480 55.115 -0.635 25150 158 1 1 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.418 -0.158 25150 159 1 1 . 1 1 42 42 GLU H H 42 8.706 8.706 8.249 0.457 25150 160 1 1 . 1 1 43 43 GLY N N 43 111.314 111.314 113.275 -1.961 25150 161 1 1 . 1 1 43 43 GLY C C 43 174.121 174.121 173.589 0.532 25150 162 1 1 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.065 0.325 25150 163 1 1 . 1 1 43 43 GLY H H 43 8.917 8.917 8.811 0.106 25150 164 1 1 . 1 1 44 44 ALA N N 44 128.665 128.665 126.835 1.830 25150 165 1 1 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.217 0.843 25150 166 1 1 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.884 -0.414 25150 167 1 1 . 1 1 44 44 ALA H H 44 8.918 8.918 8.511 0.407 25150 168 1 1 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.134 0.166 25150 169 1 1 . 1 1 45 45 PRO C C 45 177.598 177.598 177.480 0.118 25150 170 1 1 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.623 -1.213 25150 171 1 1 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.183 0.607 25150 172 1 1 . 1 1 46 46 GLY N N 46 111.319 111.319 113.433 -2.114 25150 173 1 1 . 1 1 46 46 GLY C C 46 174.290 174.290 174.714 -0.424 25150 174 1 1 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.221 0.689 25150 175 1 1 . 1 1 46 46 GLY H H 46 9.449 9.449 9.340 0.109 25150 176 1 1 . 1 1 47 47 THR N N 47 107.981 107.981 112.042 -4.061 25150 177 1 1 . 1 1 47 47 THR HA H 47 4.801 4.801 4.642 0.159 25150 178 1 1 . 1 1 47 47 THR C C 47 176.158 176.158 175.964 0.194 25150 179 1 1 . 1 1 47 47 THR CA C 47 60.380 60.380 59.889 0.492 25150 180 1 1 . 1 1 47 47 THR CB C 47 73.420 73.420 71.268 2.152 25150 181 1 1 . 1 1 47 47 THR H H 47 7.426 7.426 7.551 -0.125 25150 182 1 1 . 1 1 48 48 LEU N N 48 119.132 119.132 119.842 -0.710 25150 183 1 1 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.135 -0.078 25150 184 1 1 . 1 1 48 48 LEU C C 48 175.907 175.907 176.515 -0.608 25150 185 1 1 . 1 1 48 48 LEU CA C 48 56.490 56.490 55.367 1.123 25150 186 1 1 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.263 0.357 25150 187 1 1 . 1 1 48 48 LEU H H 48 8.966 8.966 8.879 0.087 25150 188 1 1 . 1 1 49 49 TYR N N 49 113.649 113.649 114.215 -0.566 25150 189 1 1 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.807 0.018 25150 190 1 1 . 1 1 49 49 TYR C C 49 174.634 174.634 175.330 -0.696 25150 191 1 1 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.857 -0.747 25150 192 1 1 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.547 -1.157 25150 193 1 1 . 1 1 49 49 TYR H H 49 7.205 7.205 7.583 -0.378 25150 194 1 1 . 1 1 50 50 GLU N N 50 122.006 122.006 121.248 0.758 25150 195 1 1 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.061 -0.584 25150 196 1 1 . 1 1 50 50 GLU C C 50 177.182 177.182 177.619 -0.437 25150 197 1 1 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.306 -0.206 25150 198 1 1 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.207 0.833 25150 199 1 1 . 1 1 50 50 GLU H H 50 6.934 6.934 7.380 -0.446 25150 200 1 1 . 1 1 51 51 GLY N N 51 115.165 115.165 116.198 -1.033 25150 201 1 1 . 1 1 51 51 GLY C C 51 173.997 173.997 174.510 -0.513 25150 202 1 1 . 1 1 51 51 GLY CA C 51 45.500 45.500 45.226 0.274 25150 203 1 1 . 1 1 51 51 GLY H H 51 8.752 8.752 8.555 0.197 25150 204 1 1 . 1 1 52 52 GLU N N 52 120.251 120.251 121.732 -1.481 25150 205 1 1 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.372 -0.402 25150 206 1 1 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.243 1.197 25150 207 1 1 . 1 1 52 52 GLU CB C 52 32.700 32.700 31.248 1.452 25150 208 1 1 . 1 1 52 52 GLU H H 52 7.900 7.900 8.148 -0.248 25150 209 1 1 . 1 1 53 53 LYS N N 53 120.435 120.435 121.453 -1.018 25150 210 1 1 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.067 -0.381 25150 211 1 1 . 1 1 53 53 LYS C C 53 175.285 175.285 175.538 -0.253 25150 212 1 1 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.990 0.390 25150 213 1 1 . 1 1 53 53 LYS CB C 53 34.060 34.060 34.401 -0.341 25150 214 1 1 . 1 1 53 53 LYS H H 53 8.046 8.046 8.247 -0.201 25150 215 1 1 . 1 1 54 54 PHE N N 54 122.724 122.724 121.317 1.407 25150 216 1 1 . 1 1 54 54 PHE HA H 54 5.520 5.520 5.042 0.478 25150 217 1 1 . 1 1 54 54 PHE C C 54 175.151 175.151 174.740 0.411 25150 218 1 1 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.839 -2.149 25150 219 1 1 . 1 1 54 54 PHE CB C 54 43.600 43.600 43.435 0.165 25150 220 1 1 . 1 1 54 54 PHE H H 54 9.082 9.082 8.999 0.083 25150 221 1 1 . 1 1 55 55 GLN N N 55 121.971 121.971 119.373 2.598 25150 222 1 1 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.583 -0.232 25150 223 1 1 . 1 1 55 55 GLN C C 55 173.802 173.802 175.531 -1.729 25150 224 1 1 . 1 1 55 55 GLN CA C 55 56.200 56.200 53.933 2.267 25150 225 1 1 . 1 1 55 55 GLN CB C 55 34.320 34.320 31.812 2.507 25150 226 1 1 . 1 1 55 55 GLN H H 55 10.001 10.001 8.688 1.313 25150 227 1 1 . 1 1 56 56 LEU N N 56 124.898 124.898 121.677 3.221 25150 228 1 1 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.055 -0.363 25150 229 1 1 . 1 1 56 56 LEU C C 56 174.265 174.265 175.377 -1.112 25150 230 1 1 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.478 -0.058 25150 231 1 1 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.271 1.419 25150 232 1 1 . 1 1 56 56 LEU H H 56 9.573 9.573 8.940 0.633 25150 233 1 1 . 1 1 57 57 LEU N N 57 124.234 124.234 123.338 0.896 25150 234 1 1 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.288 -0.118 25150 235 1 1 . 1 1 57 57 LEU C C 57 174.551 174.551 174.545 0.006 25150 236 1 1 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.180 0.490 25150 237 1 1 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.287 0.233 25150 238 1 1 . 1 1 57 57 LEU H H 57 8.890 8.890 8.938 -0.048 25150 239 1 1 . 1 1 58 58 PHE N N 58 124.003 124.003 127.587 -3.584 25150 240 1 1 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.839 -0.089 25150 241 1 1 . 1 1 58 58 PHE C C 58 174.407 174.407 174.405 0.002 25150 242 1 1 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.051 -0.051 25150 243 1 1 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.071 2.869 25150 244 1 1 . 1 1 58 58 PHE H H 58 9.134 9.134 9.413 -0.279 25150 245 1 1 . 1 1 59 59 LYS N N 59 120.089 120.089 124.898 -4.809 25150 246 1 1 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.498 0.385 25150 247 1 1 . 1 1 59 59 LYS C C 59 175.192 175.192 174.765 0.427 25150 248 1 1 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.078 -0.258 25150 249 1 1 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.976 1.554 25150 250 1 1 . 1 1 59 59 LYS H H 59 8.732 8.732 8.514 0.218 25150 251 1 1 . 1 1 60 60 PHE N N 60 123.988 123.988 126.269 -2.281 25150 252 1 1 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.505 -0.201 25150 253 1 1 . 1 1 60 60 PHE C C 60 174.636 174.636 175.392 -0.756 25150 254 1 1 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.201 0.049 25150 255 1 1 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.480 0.680 25150 256 1 1 . 1 1 60 60 PHE H H 60 8.649 8.649 8.509 0.140 25150 257 1 1 . 1 1 61 61 SER N N 61 117.599 117.599 117.029 0.570 25150 258 1 1 . 1 1 61 61 SER C C 61 174.771 174.771 174.809 -0.038 25150 259 1 1 . 1 1 61 61 SER CA C 61 57.130 57.130 57.150 -0.020 25150 260 1 1 . 1 1 61 61 SER CB C 61 66.030 66.030 64.932 1.098 25150 261 1 1 . 1 1 61 61 SER H H 61 8.066 8.066 8.556 -0.489 25150 262 1 1 . 1 1 62 62 SER N N 62 119.994 119.994 115.788 4.206 25150 263 1 1 . 1 1 62 62 SER CA C 62 61.650 61.650 59.924 1.726 25150 264 1 1 . 1 1 62 62 SER H H 62 8.265 8.265 8.642 -0.377 25150 265 1 1 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.281 0.169 25150 266 1 1 . 1 1 63 63 ARG C C 63 175.086 175.086 177.549 -2.463 25150 267 1 1 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.173 0.497 25150 268 1 1 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.469 -0.419 25150 269 1 1 . 1 1 64 64 TYR N N 64 120.957 120.957 124.394 -3.437 25150 270 1 1 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.654 1.026 25150 271 1 1 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.348 -0.628 25150 272 1 1 . 1 1 64 64 TYR H H 64 7.471 7.471 8.124 -0.653 25150 273 1 1 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.816 -0.146 25150 274 1 1 . 1 1 65 65 PRO C C 65 174.345 174.345 175.541 -1.196 25150 275 1 1 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.666 0.794 25150 276 1 1 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.832 2.538 25150 277 1 1 . 1 1 66 66 PHE N N 66 126.070 126.070 120.559 5.511 25150 278 1 1 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.692 -0.449 25150 279 1 1 . 1 1 66 66 PHE C C 66 175.867 175.867 175.054 0.813 25150 280 1 1 . 1 1 66 66 PHE CA C 66 61.080 61.080 59.056 2.024 25150 281 1 1 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.540 -1.530 25150 282 1 1 . 1 1 66 66 PHE H H 66 8.630 8.630 8.166 0.464 25150 283 1 1 . 1 1 67 67 ASP N N 67 118.021 118.021 118.827 -0.806 25150 284 1 1 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.655 -0.696 25150 285 1 1 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.245 -47.615 25150 286 1 1 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.621 -7.781 25150 287 1 1 . 1 1 67 67 ASP H H 67 7.126 7.126 7.604 -0.478 25150 288 1 1 . 1 1 68 68 SER N N 68 120.730 120.730 120.892 -0.162 25150 289 1 1 . 1 1 68 68 SER CA C 68 55.750 55.750 56.249 -0.499 25150 290 1 1 . 1 1 68 68 SER CB C 68 61.900 61.900 62.414 -0.514 25150 291 1 1 . 1 1 68 68 SER H H 68 8.091 8.091 7.927 0.164 25150 292 1 1 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.257 0.099 25150 293 1 1 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.115 -0.035 25150 294 1 1 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.353 0.357 25150 295 1 1 . 1 1 70 70 GLN N N 70 119.493 119.493 120.410 -0.917 25150 296 1 1 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.377 -0.307 25150 297 1 1 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.102 1.388 25150 298 1 1 . 1 1 70 70 GLN H H 70 8.049 8.049 8.132 -0.083 25150 299 1 1 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.649 -0.249 25150 300 1 1 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.376 -0.566 25150 301 1 1 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.743 0.097 25150 302 1 1 . 1 1 72 72 MET N N 72 120.767 120.767 122.598 -1.831 25150 303 1 1 . 1 1 72 72 MET HA H 72 4.731 4.731 4.856 -0.125 25150 304 1 1 . 1 1 72 72 MET C C 72 174.779 174.779 174.825 -0.046 25150 305 1 1 . 1 1 72 72 MET CA C 72 54.390 54.390 53.791 0.599 25150 306 1 1 . 1 1 72 72 MET CB C 72 36.140 36.140 37.730 -1.590 25150 307 1 1 . 1 1 72 72 MET H H 72 8.245 8.245 8.271 -0.026 25150 308 1 1 . 1 1 73 73 PHE N N 73 120.458 120.458 120.159 0.299 25150 309 1 1 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.245 -0.031 25150 310 1 1 . 1 1 73 73 PHE C C 73 175.404 175.404 176.485 -1.081 25150 311 1 1 . 1 1 73 73 PHE CA C 73 59.580 59.580 59.309 0.272 25150 312 1 1 . 1 1 73 73 PHE CB C 73 40.620 40.620 39.978 0.642 25150 313 1 1 . 1 1 73 73 PHE H H 73 9.193 9.193 8.850 0.343 25150 314 1 1 . 1 1 74 74 THR N N 74 113.842 113.842 115.596 -1.754 25150 315 1 1 . 1 1 74 74 THR HA H 74 4.777 4.777 4.641 0.136 25150 316 1 1 . 1 1 74 74 THR C C 74 173.551 173.551 174.267 -0.716 25150 317 1 1 . 1 1 74 74 THR CA C 74 59.580 59.580 60.037 -0.457 25150 318 1 1 . 1 1 74 74 THR CB C 74 71.300 71.300 70.836 0.464 25150 319 1 1 . 1 1 74 74 THR H H 74 8.894 8.894 8.844 0.050 25150 320 1 1 . 1 1 75 75 GLY N N 75 109.259 109.259 109.170 0.089 25150 321 1 1 . 1 1 75 75 GLY C C 75 173.980 173.980 174.262 -0.282 25150 322 1 1 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.688 -0.978 25150 323 1 1 . 1 1 75 75 GLY H H 75 8.058 8.058 8.364 -0.306 25150 324 1 1 . 1 1 76 76 GLU N N 76 116.661 116.661 122.727 -6.066 25150 325 1 1 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.456 -0.315 25150 326 1 1 . 1 1 76 76 GLU C C 76 176.624 176.624 175.373 1.251 25150 327 1 1 . 1 1 76 76 GLU CA C 76 58.040 58.040 55.922 2.119 25150 328 1 1 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.932 0.978 25150 329 1 1 . 1 1 76 76 GLU H H 76 8.356 8.356 8.671 -0.315 25150 330 1 1 . 1 1 77 77 ASN N N 77 118.469 118.469 118.828 -0.359 25150 331 1 1 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.894 0.216 25150 332 1 1 . 1 1 77 77 ASN C C 77 176.525 176.525 173.187 3.338 25150 333 1 1 . 1 1 77 77 ASN CA C 77 52.240 52.240 53.307 -1.067 25150 334 1 1 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.678 0.032 25150 335 1 1 . 1 1 77 77 ASN H H 77 8.614 8.614 7.728 0.886 25150 336 1 1 . 1 1 78 78 ILE N N 78 117.605 117.605 124.904 -7.299 25150 337 1 1 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.400 2.990 25150 338 1 1 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.823 3.817 25150 339 1 1 . 1 1 78 78 ILE H H 78 7.736 7.736 8.259 -0.523 25150 340 1 1 . 1 1 79 79 PRO C C 79 176.134 176.134 175.943 0.191 25150 341 1 1 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.793 1.037 25150 342 1 1 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.851 -0.691 25150 343 1 1 . 1 1 80 80 VAL N N 80 123.378 123.378 121.456 1.922 25150 344 1 1 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.516 0.314 25150 345 1 1 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.873 -1.953 25150 346 1 1 . 1 1 80 80 VAL H H 80 8.297 8.297 8.372 -0.075 25150 347 1 1 . 1 1 82 82 PRO C C 82 176.169 176.169 176.677 -0.508 25150 348 1 1 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.635 0.075 25150 349 1 1 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.692 -0.022 25150 350 1 1 . 1 1 83 83 HIS N N 83 121.199 121.199 112.715 8.484 25150 351 1 1 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.844 -0.003 25150 352 1 1 . 1 1 83 83 HIS C C 83 173.457 173.457 173.611 -0.154 25150 353 1 1 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.655 -0.975 25150 354 1 1 . 1 1 83 83 HIS CB C 83 31.230 31.230 31.059 0.171 25150 355 1 1 . 1 1 83 83 HIS H H 83 10.996 10.996 8.736 2.260 25150 356 1 1 . 1 1 84 84 VAL N N 84 121.050 121.050 121.242 -0.192 25150 357 1 1 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.983 -0.206 25150 358 1 1 . 1 1 84 84 VAL C C 84 175.155 175.155 174.673 0.482 25150 359 1 1 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.891 0.209 25150 360 1 1 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.062 0.048 25150 361 1 1 . 1 1 84 84 VAL H H 84 8.058 8.058 7.726 0.332 25150 362 1 1 . 1 1 85 85 TYR N N 85 126.195 126.195 125.248 0.947 25150 363 1 1 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.811 -0.126 25150 364 1 1 . 1 1 85 85 TYR C C 85 179.268 179.268 177.425 1.843 25150 365 1 1 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.685 1.704 25150 366 1 1 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.321 0.949 25150 367 1 1 . 1 1 85 85 TYR H H 85 9.136 9.136 9.194 -0.058 25150 368 1 1 . 1 1 86 86 SER N N 86 115.546 115.546 117.273 -1.727 25150 369 1 1 . 1 1 86 86 SER HA H 86 3.935 3.935 4.259 -0.324 25150 370 1 1 . 1 1 86 86 SER C C 86 174.309 174.309 174.974 -0.665 25150 371 1 1 . 1 1 86 86 SER CA C 86 61.890 61.890 60.936 0.954 25150 372 1 1 . 1 1 86 86 SER CB C 86 62.230 62.230 63.077 -0.847 25150 373 1 1 . 1 1 86 86 SER H H 86 10.052 10.052 8.960 1.092 25150 374 1 1 . 1 1 87 87 ASN N N 87 116.470 116.470 117.684 -1.214 25150 375 1 1 . 1 1 87 87 ASN C C 87 175.624 175.624 176.209 -0.585 25150 376 1 1 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.477 -0.138 25150 377 1 1 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.588 -0.098 25150 378 1 1 . 1 1 87 87 ASN H H 87 7.331 7.331 8.082 -0.751 25150 379 1 1 . 1 1 88 88 GLY N N 88 108.412 108.412 107.675 0.737 25150 380 1 1 . 1 1 88 88 GLY C C 88 174.247 174.247 174.037 0.210 25150 381 1 1 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.212 0.698 25150 382 1 1 . 1 1 88 88 GLY H H 88 8.737 8.737 8.443 0.294 25150 383 1 1 . 1 1 89 89 HIS N N 89 119.508 119.508 122.502 -2.994 25150 384 1 1 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.645 -1.345 25150 385 1 1 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.613 1.247 25150 386 1 1 . 1 1 89 89 HIS H H 89 7.494 7.494 8.863 -1.369 25150 387 1 1 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.708 -0.294 25150 388 1 1 . 1 1 90 90 ILE C C 90 174.510 174.510 175.493 -0.983 25150 389 1 1 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.161 -1.841 25150 390 1 1 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.728 -0.448 25150 391 1 1 . 1 1 91 91 CYS N N 91 123.587 123.587 128.533 -4.946 25150 392 1 1 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.992 5.588 25150 393 1 1 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.806 7.584 25150 394 1 1 . 1 1 91 91 CYS H H 91 7.304 7.304 8.824 -1.520 25150 395 1 1 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.618 0.052 25150 396 1 1 . 1 1 92 92 LEU C C 92 175.822 175.822 177.803 -1.981 25150 397 1 1 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.612 5.848 25150 398 1 1 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.945 -4.525 25150 399 1 1 . 1 1 93 93 SER N N 93 111.707 111.707 119.680 -7.973 25150 400 1 1 . 1 1 93 93 SER HA H 93 4.331 4.331 4.308 0.023 25150 401 1 1 . 1 1 93 93 SER C C 93 177.433 177.433 176.548 0.885 25150 402 1 1 . 1 1 93 93 SER CA C 93 62.150 62.150 60.417 1.733 25150 403 1 1 . 1 1 93 93 SER H H 93 9.037 9.037 8.839 0.198 25150 404 1 1 . 1 1 94 94 ILE N N 94 118.993 118.993 121.334 -2.341 25150 405 1 1 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.956 169.582 25150 406 1 1 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.316 0.994 25150 407 1 1 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.976 -0.076 25150 408 1 1 . 1 1 94 94 ILE H H 94 7.859 7.859 8.134 -0.275 25150 409 1 1 . 1 1 95 95 LEU N N 95 113.763 113.763 116.305 -2.542 25150 410 1 1 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.299 0.353 25150 411 1 1 . 1 1 95 95 LEU C C 95 178.458 178.458 177.730 0.728 25150 412 1 1 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.853 -0.523 25150 413 1 1 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.708 0.372 25150 414 1 1 . 1 1 95 95 LEU H H 95 7.351 7.351 7.641 -0.290 25150 415 1 1 . 1 1 96 96 THR N N 96 109.929 109.929 112.568 -2.639 25150 416 1 1 . 1 1 96 96 THR HA H 96 4.338 4.338 4.555 -0.217 25150 417 1 1 . 1 1 96 96 THR C C 96 175.947 175.947 176.379 -0.432 25150 418 1 1 . 1 1 96 96 THR CA C 96 60.960 60.960 62.876 -1.916 25150 419 1 1 . 1 1 96 96 THR CB C 96 69.280 69.280 69.077 0.203 25150 420 1 1 . 1 1 96 96 THR H H 96 7.794 7.794 7.978 -0.184 25150 421 1 1 . 1 1 97 97 GLU N N 97 123.314 123.314 120.864 2.450 25150 422 1 1 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.168 0.149 25150 423 1 1 . 1 1 97 97 GLU C C 97 176.907 176.907 177.119 -0.212 25150 424 1 1 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.818 -0.138 25150 425 1 1 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.468 1.321 25150 426 1 1 . 1 1 97 97 GLU H H 97 8.913 8.913 8.543 0.370 25150 427 1 1 . 1 1 98 98 ASP N N 98 116.420 116.420 116.826 -0.406 25150 428 1 1 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.014 0.176 25150 429 1 1 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.066 0.434 25150 430 1 1 . 1 1 98 98 ASP H H 98 8.124 8.124 8.020 0.104 25150 431 1 1 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.556 -0.136 25150 432 1 1 . 1 1 99 99 TRP C C 99 176.495 176.495 174.984 1.511 25150 433 1 1 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.832 0.598 25150 434 1 1 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.184 -0.604 25150 435 1 1 . 1 1 100 100 SER N N 100 120.993 120.993 120.239 0.754 25150 436 1 1 . 1 1 100 100 SER CA C 100 55.370 55.370 54.481 0.889 25150 437 1 1 . 1 1 100 100 SER CB C 100 64.860 64.860 64.698 0.162 25150 438 1 1 . 1 1 100 100 SER H H 100 5.703 5.703 6.783 -1.080 25150 439 1 1 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.059 0.134 25150 440 1 1 . 1 1 101 101 PRO C C 101 175.227 175.227 176.360 -1.133 25150 441 1 1 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.537 -0.837 25150 442 1 1 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.442 -0.022 25150 443 1 1 . 1 1 102 102 ALA N N 102 118.668 118.668 118.676 -0.008 25150 444 1 1 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.112 -0.018 25150 445 1 1 . 1 1 102 102 ALA C C 102 178.797 178.797 177.324 1.473 25150 446 1 1 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.181 0.649 25150 447 1 1 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.789 0.221 25150 448 1 1 . 1 1 102 102 ALA H H 102 7.290 7.290 7.159 0.131 25150 449 1 1 . 1 1 103 103 LEU N N 103 119.365 119.365 118.020 1.345 25150 450 1 1 . 1 1 103 103 LEU CA C 103 54.210 54.210 53.621 0.589 25150 451 1 1 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.777 -1.067 25150 452 1 1 . 1 1 103 103 LEU H H 103 7.263 7.263 7.252 0.011 25150 453 1 1 . 1 1 104 104 SER HA H 104 4.381 4.381 5.128 -0.747 25150 454 1 1 . 1 1 104 104 SER C C 104 175.278 175.278 175.977 -0.699 25150 455 1 1 . 1 1 104 104 SER CA C 104 56.500 56.500 56.672 -0.172 25150 456 1 1 . 1 1 104 104 SER CB C 104 66.770 66.770 66.419 0.351 25150 457 1 1 . 1 1 105 105 VAL N N 105 123.025 123.025 122.539 0.486 25150 458 1 1 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.795 -0.183 25150 459 1 1 . 1 1 105 105 VAL C C 105 179.053 179.053 177.385 1.668 25150 460 1 1 . 1 1 105 105 VAL CA C 105 68.070 68.070 67.530 0.540 25150 461 1 1 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.593 0.027 25150 462 1 1 . 1 1 105 105 VAL H H 105 9.841 9.841 9.401 0.440 25150 463 1 1 . 1 1 106 106 GLN N N 106 121.218 121.218 119.346 1.872 25150 464 1 1 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.952 -0.097 25150 465 1 1 . 1 1 106 106 GLN C C 106 177.698 177.698 178.331 -0.633 25150 466 1 1 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.610 1.520 25150 467 1 1 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.639 -0.409 25150 468 1 1 . 1 1 106 106 GLN H H 106 9.109 9.109 8.829 0.280 25150 469 1 1 . 1 1 107 107 SER N N 107 115.531 115.531 115.328 0.203 25150 470 1 1 . 1 1 107 107 SER C C 107 177.828 177.828 176.867 0.961 25150 471 1 1 . 1 1 107 107 SER CA C 107 62.500 62.500 61.811 0.689 25150 472 1 1 . 1 1 107 107 SER CB C 107 62.670 62.670 62.737 -0.067 25150 473 1 1 . 1 1 107 107 SER H H 107 8.209 8.209 8.141 0.068 25150 474 1 1 . 1 1 108 108 VAL N N 108 123.756 123.756 123.619 0.137 25150 475 1 1 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.835 -0.174 25150 476 1 1 . 1 1 108 108 VAL C C 108 178.087 178.087 178.175 -0.088 25150 477 1 1 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.726 0.244 25150 478 1 1 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.741 -0.031 25150 479 1 1 . 1 1 108 108 VAL H H 108 8.256 8.256 7.986 0.270 25150 480 1 1 . 1 1 109 109 CYS N N 109 118.175 118.175 118.699 -0.524 25150 481 1 1 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.178 -0.243 25150 482 1 1 . 1 1 109 109 CYS C C 109 176.918 176.918 176.927 -0.009 25150 483 1 1 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.884 1.006 25150 484 1 1 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.868 0.932 25150 485 1 1 . 1 1 109 109 CYS H H 109 8.781 8.781 8.459 0.322 25150 486 1 1 . 1 1 110 110 LEU N N 110 118.491 118.491 120.570 -2.079 25150 487 1 1 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.874 0.236 25150 488 1 1 . 1 1 110 110 LEU C C 110 180.150 180.150 178.912 1.238 25150 489 1 1 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.328 0.152 25150 490 1 1 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.536 -0.526 25150 491 1 1 . 1 1 110 110 LEU H H 110 8.543 8.543 8.703 -0.160 25150 492 1 1 . 1 1 111 111 SER N N 111 117.917 117.917 115.829 2.088 25150 493 1 1 . 1 1 111 111 SER C C 111 177.009 177.009 176.880 0.129 25150 494 1 1 . 1 1 111 111 SER CA C 111 63.050 63.050 62.359 0.691 25150 495 1 1 . 1 1 111 111 SER CB C 111 62.980 62.980 63.022 -0.042 25150 496 1 1 . 1 1 111 111 SER H H 111 8.181 8.181 8.068 0.113 25150 497 1 1 . 1 1 112 112 ILE N N 112 124.764 124.764 122.981 1.783 25150 498 1 1 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.650 0.023 25150 499 1 1 . 1 1 112 112 ILE C C 112 177.441 177.441 177.845 -0.404 25150 500 1 1 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.581 -0.151 25150 501 1 1 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.797 0.153 25150 502 1 1 . 1 1 112 112 ILE H H 112 8.249 8.249 7.985 0.264 25150 503 1 1 . 1 1 113 113 ILE N N 113 121.123 121.123 120.658 0.465 25150 504 1 1 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.628 -0.032 25150 505 1 1 . 1 1 113 113 ILE C C 113 179.525 179.525 178.396 1.129 25150 506 1 1 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.687 0.573 25150 507 1 1 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.911 0.869 25150 508 1 1 . 1 1 113 113 ILE H H 113 8.415 8.415 8.486 -0.071 25150 509 1 1 . 1 1 114 114 SER N N 114 115.247 115.247 115.624 -0.377 25150 510 1 1 . 1 1 114 114 SER HA H 114 4.300 4.300 4.182 0.118 25150 511 1 1 . 1 1 114 114 SER C C 114 176.915 176.915 176.831 0.084 25150 512 1 1 . 1 1 114 114 SER CA C 114 61.510 61.510 61.630 -0.120 25150 513 1 1 . 1 1 114 114 SER CB C 114 62.990 62.990 62.914 0.076 25150 514 1 1 . 1 1 114 114 SER H H 114 8.241 8.241 8.348 -0.107 25150 515 1 1 . 1 1 115 115 MET N N 115 122.921 122.921 124.133 -1.212 25150 516 1 1 . 1 1 115 115 MET C C 115 179.552 179.552 178.367 1.185 25150 517 1 1 . 1 1 115 115 MET CA C 115 59.030 59.030 59.082 -0.052 25150 518 1 1 . 1 1 115 115 MET CB C 115 33.040 33.040 32.506 0.534 25150 519 1 1 . 1 1 115 115 MET H H 115 8.216 8.216 8.052 0.164 25150 520 1 1 . 1 1 116 116 LEU N N 116 120.553 120.553 118.270 2.283 25150 521 1 1 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.793 0.284 25150 522 1 1 . 1 1 116 116 LEU C C 116 179.264 179.264 179.586 -0.322 25150 523 1 1 . 1 1 116 116 LEU CA C 116 58.770 58.770 56.873 1.897 25150 524 1 1 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.466 -0.836 25150 525 1 1 . 1 1 116 116 LEU H H 116 7.981 7.981 8.066 -0.085 25150 526 1 1 . 1 1 117 117 SER N N 117 114.100 114.100 113.463 0.637 25150 527 1 1 . 1 1 117 117 SER HA H 117 4.342 4.342 4.370 -0.028 25150 528 1 1 . 1 1 117 117 SER C C 117 175.042 175.042 175.149 -0.107 25150 529 1 1 . 1 1 117 117 SER CA C 117 61.700 61.700 60.949 0.751 25150 530 1 1 . 1 1 117 117 SER CB C 117 63.120 63.120 64.059 -0.939 25150 531 1 1 . 1 1 117 117 SER H H 117 8.467 8.467 8.172 0.295 25150 532 1 1 . 1 1 118 118 SER N N 118 113.628 113.628 116.040 -2.412 25150 533 1 1 . 1 1 118 118 SER HA H 118 4.485 4.485 4.603 -0.118 25150 534 1 1 . 1 1 118 118 SER C C 118 174.142 174.142 173.383 0.759 25150 535 1 1 . 1 1 118 118 SER CA C 118 59.000 59.000 57.265 1.735 25150 536 1 1 . 1 1 118 118 SER CB C 118 64.040 64.040 63.527 0.513 25150 537 1 1 . 1 1 118 118 SER H H 118 8.037 8.037 8.286 -0.249 25150 538 1 1 . 1 1 119 119 CYS N N 119 122.293 122.293 127.416 -5.123 25150 539 1 1 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.328 -0.138 25150 540 1 1 . 1 1 119 119 CYS CB C 119 28.270 28.270 27.769 0.501 25150 541 1 1 . 1 1 119 119 CYS H H 119 7.250 7.250 8.568 -1.318 25150 542 1 1 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.630 -0.090 25150 543 1 1 . 1 1 120 120 LYS C C 120 176.345 176.345 175.902 0.443 25150 544 1 1 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.486 9.565 25150 545 1 1 . 1 1 120 120 LYS CB C 120 33.550 33.550 34.189 -0.639 25150 546 1 1 . 1 1 121 121 GLU N N 121 120.936 120.936 122.603 -1.667 25150 547 1 1 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.547 -0.318 25150 548 1 1 . 1 1 121 121 GLU C C 121 174.053 174.053 176.354 -2.301 25150 549 1 1 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.178 0.012 25150 550 1 1 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.271 1.419 25150 551 1 1 . 1 1 121 121 GLU H H 121 7.700 7.700 8.542 -0.842 25150 552 1 1 . 1 1 122 122 LYS N N 122 127.472 127.472 121.531 5.941 25150 553 1 1 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.452 -0.590 25150 554 1 1 . 1 1 122 122 LYS C C 122 174.440 174.440 176.101 -1.661 25150 555 1 1 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.456 1.824 25150 556 1 1 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.242 -0.832 25150 557 1 1 . 1 1 122 122 LYS H H 122 8.890 8.890 8.451 0.439 25150 558 1 1 . 1 1 123 123 ARG N N 123 123.268 123.268 121.205 2.063 25150 559 1 1 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.678 -0.408 25150 560 1 1 . 1 1 123 123 ARG C C 123 172.653 172.653 175.071 -2.418 25150 561 1 1 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.014 -0.434 25150 562 1 1 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.736 -0.506 25150 563 1 1 . 1 1 123 123 ARG H H 123 6.841 6.841 8.558 -1.717 25150 564 1 1 . 1 1 124 124 ARG N N 124 116.787 116.787 120.859 -4.072 25150 565 1 1 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.198 0.512 25150 566 1 1 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.835 -0.756 25150 567 1 1 . 1 1 124 124 ARG H H 124 8.044 8.044 8.288 -0.244 25150 568 1 1 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.290 0.510 25150 569 1 1 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.115 -0.336 25150 570 1 1 . 1 1 127 127 ASP N N 127 115.165 115.165 119.876 -4.711 25150 571 1 1 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.739 0.385 25150 572 1 1 . 1 1 127 127 ASP C C 127 172.871 172.871 176.723 -3.852 25150 573 1 1 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.036 -0.366 25150 574 1 1 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.112 -0.972 25150 575 1 1 . 1 1 127 127 ASP H H 127 8.711 8.711 8.377 0.334 25150 576 1 1 . 1 1 128 128 ASN N N 128 127.858 127.858 125.051 2.807 25150 577 1 1 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.655 0.825 25150 578 1 1 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.582 -0.022 25150 579 1 1 . 1 1 128 128 ASN H H 128 8.502 8.502 8.421 0.081 25150 580 1 1 . 1 1 129 129 SER C C 129 176.346 176.346 176.473 -0.127 25150 581 1 1 . 1 1 129 129 SER CA C 129 62.330 62.330 61.544 0.786 25150 582 1 1 . 1 1 130 130 PHE N N 130 121.897 121.897 123.395 -1.498 25150 583 1 1 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.126 -0.006 25150 584 1 1 . 1 1 130 130 PHE C C 130 177.740 177.740 177.074 0.666 25150 585 1 1 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.366 -0.406 25150 586 1 1 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.097 0.663 25150 587 1 1 . 1 1 130 130 PHE H H 130 8.022 8.022 8.602 -0.580 25150 588 1 1 . 1 1 131 131 TYR N N 131 122.173 122.173 120.586 1.587 25150 589 1 1 . 1 1 131 131 TYR HA H 131 3.746 3.746 3.988 -0.242 25150 590 1 1 . 1 1 131 131 TYR C C 131 178.140 178.140 178.350 -0.210 25150 591 1 1 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.467 0.823 25150 592 1 1 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.431 1.109 25150 593 1 1 . 1 1 131 131 TYR H H 131 8.871 8.871 8.517 0.354 25150 594 1 1 . 1 1 132 132 VAL N N 132 116.993 116.993 119.139 -2.146 25150 595 1 1 . 1 1 132 132 VAL C C 132 178.082 178.082 178.556 -0.474 25150 596 1 1 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.028 0.302 25150 597 1 1 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.515 -0.065 25150 598 1 1 . 1 1 132 132 VAL H H 132 8.551 8.551 8.404 0.147 25150 599 1 1 . 1 1 133 133 ARG N N 133 118.860 118.860 117.904 0.956 25150 600 1 1 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.826 0.154 25150 601 1 1 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.093 0.157 25150 602 1 1 . 1 1 133 133 ARG H H 133 7.545 7.545 8.066 -0.521 25150 603 1 1 . 1 1 134 134 THR CA C 134 62.280 62.280 62.512 -0.232 25150 604 1 1 . 1 1 134 134 THR CB C 134 69.790 69.790 68.362 1.428 25150 605 1 1 . 1 1 135 135 CYS N N 135 125.959 125.959 120.838 5.121 25150 606 1 1 . 1 1 135 135 CYS CA C 135 59.760 59.760 61.855 -2.095 25150 607 1 1 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.092 11.918 25150 608 1 1 . 1 1 135 135 CYS H H 135 7.881 7.881 7.601 0.280 25150 609 1 1 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.569 -0.559 25150 610 1 1 . 1 1 136 136 ASN C C 136 177.768 177.768 175.902 1.866 25150 611 1 1 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.580 -0.420 25150 612 1 1 . 1 1 136 136 ASN CB C 136 38.470 38.470 37.614 0.856 25150 613 1 1 . 1 1 137 137 LYS N N 137 119.224 119.224 117.295 1.929 25150 614 1 1 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.360 -0.164 25150 615 1 1 . 1 1 137 137 LYS C C 137 176.185 176.185 176.149 0.036 25150 616 1 1 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.105 0.875 25150 617 1 1 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.654 0.216 25150 618 1 1 . 1 1 137 137 LYS H H 137 7.678 7.678 7.514 0.164 25150 619 1 1 . 1 1 138 138 ASN N N 138 117.174 117.174 119.773 -2.599 25150 620 1 1 . 1 1 138 138 ASN CA C 138 51.530 51.530 50.680 0.850 25150 621 1 1 . 1 1 138 138 ASN CB C 138 38.940 38.940 37.875 1.065 25150 622 1 1 . 1 1 138 138 ASN H H 138 7.969 7.969 7.472 0.497 25150 623 1 1 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.387 0.011 25150 624 1 1 . 1 1 139 139 PRO C C 139 177.335 177.335 176.208 1.127 25150 625 1 1 . 1 1 139 139 PRO CA C 139 63.850 63.850 63.243 0.607 25150 626 1 1 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.279 -0.169 25150 627 1 1 . 1 1 140 140 LYS N N 140 118.218 118.218 122.439 -4.221 25150 628 1 1 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.304 28.346 25150 629 1 1 . 1 1 140 140 LYS C C 140 176.564 176.564 177.027 -0.463 25150 630 1 1 . 1 1 140 140 LYS CA C 140 56.990 56.990 55.892 1.098 25150 631 1 1 . 1 1 140 140 LYS H H 140 8.108 8.108 8.260 -0.152 25150 632 1 1 . 1 1 141 141 LYS N N 141 119.276 119.276 122.419 -3.143 25150 633 1 1 . 1 1 141 141 LYS C C 141 177.924 177.924 176.186 1.738 25150 634 1 1 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.626 -0.526 25150 635 1 1 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.959 -3.179 25150 636 1 1 . 1 1 141 141 LYS H H 141 8.135 8.135 8.291 -0.156 25150 637 1 1 . 1 1 142 142 THR N N 142 115.380 115.380 119.631 -4.251 25150 638 1 1 . 1 1 142 142 THR CA C 142 61.850 61.850 62.350 -0.500 25150 639 1 1 . 1 1 142 142 THR CB C 142 69.660 69.660 69.439 0.221 25150 640 1 1 . 1 1 142 142 THR H H 142 8.030 8.030 8.213 -0.183 25150 641 1 1 . 1 1 143 143 LYS C C 143 178.955 178.955 175.382 3.573 25150 642 1 1 . 1 1 144 144 TRP N N 144 120.470 120.470 121.333 -0.863 25150 643 1 1 . 1 1 144 144 TRP C C 144 176.557 176.557 174.963 1.594 25150 644 1 1 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.340 0.530 25150 645 1 1 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.689 3.311 25150 646 1 1 . 1 1 144 144 TRP H H 144 8.094 8.094 7.694 0.400 25150 647 1 1 . 1 1 145 145 TRP N N 145 120.330 120.330 127.174 -6.844 25150 648 1 1 . 1 1 145 145 TRP CA C 145 57.120 57.120 54.881 2.239 25150 649 1 1 . 1 1 145 145 TRP CB C 145 32.850 32.850 31.239 1.611 25150 650 1 1 . 1 1 145 145 TRP H H 145 8.488 8.488 7.596 0.892 25150 651 1 1 . 1 1 146 146 TYR C C 146 174.706 174.706 174.842 -0.136 25150 652 1 1 . 1 1 146 146 TYR CA C 146 57.430 57.430 58.560 -1.130 25150 653 1 1 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.138 -0.398 25150 654 1 1 . 1 1 147 147 HIS N N 147 121.604 121.604 124.672 -3.068 25150 655 1 1 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.554 -0.368 25150 656 1 1 . 1 1 147 147 HIS C C 147 176.874 176.874 174.239 2.635 25150 657 1 1 . 1 1 147 147 HIS CA C 147 56.240 56.240 54.871 1.369 25150 658 1 1 . 1 1 147 147 HIS CB C 147 31.200 31.200 32.286 -1.086 25150 659 1 1 . 1 1 147 147 HIS H H 147 7.886 7.886 7.675 0.211 25150 660 1 1 . 1 1 148 148 ASP N N 148 122.629 122.629 120.695 1.934 25150 661 1 1 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.647 -0.103 25150 662 1 1 . 1 1 148 148 ASP C C 148 175.661 175.661 175.630 0.031 25150 663 1 1 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.889 0.291 25150 664 1 1 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.345 0.335 25150 665 1 1 . 1 1 148 148 ASP H H 148 8.109 8.109 8.509 -0.400 25150 666 1 1 . 1 1 149 149 ASP N N 149 121.321 121.321 121.611 -0.290 25150 667 1 1 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.679 -0.025 25150 668 1 1 . 1 1 149 149 ASP C C 149 176.551 176.551 176.533 0.018 25150 669 1 1 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.487 0.123 25150 670 1 1 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.635 -0.275 25150 671 1 1 . 1 1 149 149 ASP H H 149 8.395 8.395 8.013 0.382 25150 672 1 1 . 1 1 150 150 THR N N 150 113.450 113.450 118.879 -5.429 25150 673 1 1 . 1 1 150 150 THR HA H 150 4.296 4.296 4.249 0.047 25150 674 1 1 . 1 1 150 150 THR C C 150 173.994 173.994 174.137 -0.143 25150 675 1 1 . 1 1 150 150 THR CA C 150 62.310 62.310 63.740 -1.430 25150 676 1 1 . 1 1 150 150 THR CB C 150 69.870 69.870 69.211 0.659 25150 677 1 1 . 1 1 150 150 THR H H 150 8.259 8.259 8.534 -0.275 25150 678 1 2 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.043 0.251 25150 679 1 2 . 1 1 6 6 LYS C C 6 176.970 176.970 179.190 -2.220 25150 680 1 2 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.734 -1.364 25150 681 1 2 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.294 0.186 25150 682 1 2 . 1 1 7 7 ARG N N 7 119.704 119.704 119.577 0.127 25150 683 1 2 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.044 0.154 25150 684 1 2 . 1 1 7 7 ARG C C 7 178.270 178.270 178.814 -0.544 25150 685 1 2 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.279 -0.249 25150 686 1 2 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.241 -1.681 25150 687 1 2 . 1 1 7 7 ARG H H 7 8.599 8.599 8.051 0.548 25150 688 1 2 . 1 1 8 8 LEU N N 8 119.704 119.704 121.855 -2.151 25150 689 1 2 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.027 0.063 25150 690 1 2 . 1 1 8 8 LEU C C 8 178.980 178.980 178.248 0.732 25150 691 1 2 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.684 0.605 25150 692 1 2 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.510 0.550 25150 693 1 2 . 1 1 8 8 LEU H H 8 8.599 8.599 8.602 -0.003 25150 694 1 2 . 1 1 9 9 GLN N N 9 117.512 117.512 118.863 -1.351 25150 695 1 2 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.704 0.333 25150 696 1 2 . 1 1 9 9 GLN C C 9 178.610 178.610 178.225 0.385 25150 697 1 2 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.363 -0.053 25150 698 1 2 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.542 -0.062 25150 699 1 2 . 1 1 9 9 GLN H H 9 8.066 8.066 8.471 -0.405 25150 700 1 2 . 1 1 10 10 LYS N N 10 119.556 119.556 118.720 0.836 25150 701 1 2 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.870 0.210 25150 702 1 2 . 1 1 10 10 LYS C C 10 180.040 180.040 178.756 1.284 25150 703 1 2 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.644 0.036 25150 704 1 2 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.117 0.343 25150 705 1 2 . 1 1 10 10 LYS H H 10 7.678 7.678 7.784 -0.106 25150 706 1 2 . 1 1 11 11 GLU N N 11 120.347 120.347 120.445 -0.098 25150 707 1 2 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.012 0.164 25150 708 1 2 . 1 1 11 11 GLU C C 11 178.770 178.770 179.004 -0.234 25150 709 1 2 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.359 1.681 25150 710 1 2 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.555 1.105 25150 711 1 2 . 1 1 11 11 GLU H H 11 8.533 8.533 7.763 0.770 25150 712 1 2 . 1 1 12 12 LEU N N 12 123.285 123.285 119.626 3.659 25150 713 1 2 . 1 1 12 12 LEU C C 12 178.570 178.570 179.335 -0.765 25150 714 1 2 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.282 0.838 25150 715 1 2 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.699 -0.619 25150 716 1 2 . 1 1 12 12 LEU H H 12 8.685 8.685 8.197 0.487 25150 717 1 2 . 1 1 13 13 LEU N N 13 118.881 118.881 119.840 -0.959 25150 718 1 2 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.882 0.115 25150 719 1 2 . 1 1 13 13 LEU C C 13 179.260 179.260 178.769 0.491 25150 720 1 2 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.949 -0.049 25150 721 1 2 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.205 0.685 25150 722 1 2 . 1 1 13 13 LEU H H 13 7.588 7.588 8.424 -0.836 25150 723 1 2 . 1 1 14 14 ALA N N 14 120.667 120.667 122.352 -1.685 25150 724 1 2 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.018 0.172 25150 725 1 2 . 1 1 14 14 ALA C C 14 176.270 176.270 179.705 -3.435 25150 726 1 2 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.175 0.015 25150 727 1 2 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.197 -0.167 25150 728 1 2 . 1 1 14 14 ALA H H 14 7.617 7.617 7.985 -0.368 25150 729 1 2 . 1 1 15 15 LEU N N 15 119.965 119.965 116.771 3.194 25150 730 1 2 . 1 1 15 15 LEU CA C 15 57.450 57.450 56.347 1.103 25150 731 1 2 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.809 0.451 25150 732 1 2 . 1 1 15 15 LEU H H 15 7.726 7.726 7.587 0.139 25150 733 1 2 . 1 1 16 16 GLN N N 16 115.381 115.381 117.194 -1.813 25150 734 1 2 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.144 -0.166 25150 735 1 2 . 1 1 16 16 GLN C C 16 177.950 177.950 177.736 0.214 25150 736 1 2 . 1 1 16 16 GLN CA C 16 58.460 58.460 57.982 0.478 25150 737 1 2 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.844 0.946 25150 738 1 2 . 1 1 16 16 GLN H H 16 8.028 8.028 8.031 -0.003 25150 739 1 2 . 1 1 17 17 ASN N N 17 114.975 114.975 116.579 -1.604 25150 740 1 2 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.659 -0.029 25150 741 1 2 . 1 1 17 17 ASN C C 17 175.303 175.303 175.027 0.276 25150 742 1 2 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.982 -0.102 25150 743 1 2 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.194 0.656 25150 744 1 2 . 1 1 17 17 ASN H H 17 8.136 8.136 7.863 0.273 25150 745 1 2 . 1 1 18 18 ASP N N 18 119.698 119.698 118.234 1.464 25150 746 1 2 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.565 0.895 25150 747 1 2 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.420 -0.910 25150 748 1 2 . 1 1 18 18 ASP H H 18 8.218 8.218 7.969 0.249 25150 749 1 2 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.313 0.002 25150 750 1 2 . 1 1 21 21 PRO C C 21 177.867 177.867 177.589 0.278 25150 751 1 2 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.110 -0.290 25150 752 1 2 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.787 -0.217 25150 753 1 2 . 1 1 22 22 GLY N N 22 111.293 111.293 110.752 0.541 25150 754 1 2 . 1 1 22 22 GLY C C 22 174.342 174.342 173.895 0.447 25150 755 1 2 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.161 0.829 25150 756 1 2 . 1 1 22 22 GLY H H 22 8.506 8.506 8.744 -0.238 25150 757 1 2 . 1 1 23 23 MET N N 23 118.966 118.966 119.319 -0.353 25150 758 1 2 . 1 1 23 23 MET HA H 23 5.699 5.699 5.529 0.170 25150 759 1 2 . 1 1 23 23 MET C C 23 175.386 175.386 175.653 -0.267 25150 760 1 2 . 1 1 23 23 MET CA C 23 55.270 55.270 54.093 1.177 25150 761 1 2 . 1 1 23 23 MET CB C 23 35.890 35.890 35.759 0.131 25150 762 1 2 . 1 1 23 23 MET H H 23 8.017 8.017 8.022 -0.005 25150 763 1 2 . 1 1 24 24 THR N N 24 112.647 112.647 120.387 -7.740 25150 764 1 2 . 1 1 24 24 THR HA H 24 4.596 4.596 4.658 -0.062 25150 765 1 2 . 1 1 24 24 THR C C 24 173.407 173.407 173.589 -0.182 25150 766 1 2 . 1 1 24 24 THR CA C 24 60.850 60.850 61.771 -0.921 25150 767 1 2 . 1 1 24 24 THR CB C 24 72.360 72.360 70.119 2.241 25150 768 1 2 . 1 1 24 24 THR H H 24 8.565 8.565 8.997 -0.432 25150 769 1 2 . 1 1 25 25 LEU N N 25 126.920 126.920 127.402 -0.482 25150 770 1 2 . 1 1 25 25 LEU HA H 25 4.296 4.296 5.252 -0.956 25150 771 1 2 . 1 1 25 25 LEU C C 25 175.624 175.624 176.171 -0.547 25150 772 1 2 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.755 2.415 25150 773 1 2 . 1 1 25 25 LEU CB C 25 42.710 42.710 44.238 -1.528 25150 774 1 2 . 1 1 25 25 LEU H H 25 9.189 9.189 8.684 0.505 25150 775 1 2 . 1 1 26 26 ASN N N 26 127.108 127.108 120.475 6.633 25150 776 1 2 . 1 1 26 26 ASN C C 26 173.783 173.783 172.911 0.872 25150 777 1 2 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.282 1.817 25150 778 1 2 . 1 1 26 26 ASN CB C 26 40.370 40.370 41.333 -0.963 25150 779 1 2 . 1 1 26 26 ASN H H 26 9.000 9.000 9.034 -0.034 25150 780 1 2 . 1 1 27 27 GLU N N 27 108.990 108.990 117.427 -8.437 25150 781 1 2 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.378 1.232 25150 782 1 2 . 1 1 27 27 GLU H H 27 7.631 7.631 8.596 -0.965 25150 783 1 2 . 1 1 30 30 VAL C C 30 177.011 177.011 176.946 0.065 25150 784 1 2 . 1 1 30 30 VAL CA C 30 55.230 55.230 59.896 -4.666 25150 785 1 2 . 1 1 30 30 VAL CB C 30 30.860 30.860 34.668 -3.808 25150 786 1 2 . 1 1 31 31 GLN N N 31 125.960 125.960 121.188 4.772 25150 787 1 2 . 1 1 31 31 GLN CA C 31 58.430 58.430 57.941 0.489 25150 788 1 2 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.542 0.588 25150 789 1 2 . 1 1 31 31 GLN H H 31 7.880 7.880 8.795 -0.915 25150 790 1 2 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.132 0.528 25150 791 1 2 . 1 1 34 34 ILE C C 34 178.642 178.642 175.927 2.715 25150 792 1 2 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.580 -5.610 25150 793 1 2 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.832 3.168 25150 794 1 2 . 1 1 35 35 THR N N 35 110.980 110.980 123.077 -12.097 25150 795 1 2 . 1 1 35 35 THR CA C 35 61.070 61.070 63.639 -2.569 25150 796 1 2 . 1 1 35 35 THR CB C 35 69.090 69.090 69.343 -0.253 25150 797 1 2 . 1 1 35 35 THR H H 35 7.825 7.825 8.462 -0.637 25150 798 1 2 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.714 0.910 25150 799 1 2 . 1 1 36 36 GLN C C 36 174.178 174.178 174.544 -0.366 25150 800 1 2 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.972 0.118 25150 801 1 2 . 1 1 36 36 GLN CB C 36 32.290 32.290 29.220 3.070 25150 802 1 2 . 1 1 37 37 TRP N N 37 123.942 123.942 127.711 -3.769 25150 803 1 2 . 1 1 37 37 TRP HA H 37 5.576 5.576 4.795 0.781 25150 804 1 2 . 1 1 37 37 TRP C C 37 174.959 174.959 174.420 0.539 25150 805 1 2 . 1 1 37 37 TRP CA C 37 53.630 53.630 57.214 -3.584 25150 806 1 2 . 1 1 37 37 TRP CB C 37 32.950 32.950 30.392 2.558 25150 807 1 2 . 1 1 37 37 TRP H H 37 9.242 9.242 8.928 0.314 25150 808 1 2 . 1 1 38 38 ILE N N 38 121.559 121.559 128.616 -7.057 25150 809 1 2 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.880 0.399 25150 810 1 2 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.042 -0.612 25150 811 1 2 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.292 -1.052 25150 812 1 2 . 1 1 38 38 ILE H H 38 8.778 8.778 9.031 -0.253 25150 813 1 2 . 1 1 39 39 VAL N N 39 128.719 128.719 127.939 0.780 25150 814 1 2 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.340 0.241 25150 815 1 2 . 1 1 39 39 VAL C C 39 175.175 175.175 174.613 0.562 25150 816 1 2 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.613 0.637 25150 817 1 2 . 1 1 39 39 VAL CB C 39 35.850 35.850 33.354 2.496 25150 818 1 2 . 1 1 39 39 VAL H H 39 9.533 9.533 8.886 0.647 25150 819 1 2 . 1 1 40 40 ASP N N 40 128.451 128.451 128.980 -0.529 25150 820 1 2 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.401 -0.183 25150 821 1 2 . 1 1 40 40 ASP C C 40 175.157 175.157 174.800 0.357 25150 822 1 2 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.625 1.685 25150 823 1 2 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.417 0.083 25150 824 1 2 . 1 1 40 40 ASP H H 40 9.165 9.165 8.861 0.304 25150 825 1 2 . 1 1 41 41 MET N N 41 120.544 120.544 124.233 -3.689 25150 826 1 2 . 1 1 41 41 MET HA H 41 5.467 5.467 5.387 0.080 25150 827 1 2 . 1 1 41 41 MET C C 41 173.590 173.590 174.001 -0.411 25150 828 1 2 . 1 1 41 41 MET CA C 41 54.610 54.610 54.303 0.307 25150 829 1 2 . 1 1 41 41 MET CB C 41 37.490 37.490 37.769 -0.279 25150 830 1 2 . 1 1 41 41 MET H H 41 8.756 8.756 9.138 -0.382 25150 831 1 2 . 1 1 42 42 GLU N N 42 125.740 125.740 127.305 -1.565 25150 832 1 2 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.150 -0.140 25150 833 1 2 . 1 1 42 42 GLU C C 42 177.323 177.323 177.025 0.298 25150 834 1 2 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.805 -0.325 25150 835 1 2 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.722 -0.462 25150 836 1 2 . 1 1 42 42 GLU H H 42 8.706 8.706 8.340 0.366 25150 837 1 2 . 1 1 43 43 GLY N N 43 111.314 111.314 112.928 -1.614 25150 838 1 2 . 1 1 43 43 GLY C C 43 174.121 174.121 173.849 0.272 25150 839 1 2 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.095 0.295 25150 840 1 2 . 1 1 43 43 GLY H H 43 8.917 8.917 8.772 0.145 25150 841 1 2 . 1 1 44 44 ALA N N 44 128.665 128.665 126.409 2.256 25150 842 1 2 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.309 0.751 25150 843 1 2 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.835 -0.366 25150 844 1 2 . 1 1 44 44 ALA H H 44 8.918 8.918 8.597 0.321 25150 845 1 2 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.277 0.023 25150 846 1 2 . 1 1 45 45 PRO C C 45 177.598 177.598 177.495 0.103 25150 847 1 2 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.706 -0.296 25150 848 1 2 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.430 0.360 25150 849 1 2 . 1 1 46 46 GLY N N 46 111.319 111.319 113.452 -2.133 25150 850 1 2 . 1 1 46 46 GLY C C 46 174.290 174.290 174.684 -0.394 25150 851 1 2 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.271 0.639 25150 852 1 2 . 1 1 46 46 GLY H H 46 9.449 9.449 9.379 0.070 25150 853 1 2 . 1 1 47 47 THR N N 47 107.981 107.981 112.101 -4.120 25150 854 1 2 . 1 1 47 47 THR HA H 47 4.801 4.801 4.610 0.191 25150 855 1 2 . 1 1 47 47 THR C C 47 176.158 176.158 176.123 0.035 25150 856 1 2 . 1 1 47 47 THR CA C 47 60.380 60.380 59.989 0.391 25150 857 1 2 . 1 1 47 47 THR CB C 47 73.420 73.420 71.305 2.115 25150 858 1 2 . 1 1 47 47 THR H H 47 7.426 7.426 7.472 -0.046 25150 859 1 2 . 1 1 48 48 LEU N N 48 119.132 119.132 120.713 -1.581 25150 860 1 2 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.105 -0.048 25150 861 1 2 . 1 1 48 48 LEU C C 48 175.907 175.907 177.204 -1.297 25150 862 1 2 . 1 1 48 48 LEU CA C 48 56.490 56.490 57.074 -0.584 25150 863 1 2 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.633 -0.013 25150 864 1 2 . 1 1 48 48 LEU H H 48 8.966 8.966 8.803 0.163 25150 865 1 2 . 1 1 49 49 TYR N N 49 113.649 113.649 115.108 -1.459 25150 866 1 2 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.857 -0.032 25150 867 1 2 . 1 1 49 49 TYR C C 49 174.634 174.634 175.593 -0.959 25150 868 1 2 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.737 -0.627 25150 869 1 2 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.131 -0.741 25150 870 1 2 . 1 1 49 49 TYR H H 49 7.205 7.205 7.770 -0.565 25150 871 1 2 . 1 1 50 50 GLU N N 50 122.006 122.006 121.834 0.172 25150 872 1 2 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.057 -0.580 25150 873 1 2 . 1 1 50 50 GLU C C 50 177.182 177.182 177.833 -0.651 25150 874 1 2 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.152 -0.052 25150 875 1 2 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.203 0.837 25150 876 1 2 . 1 1 50 50 GLU H H 50 6.934 6.934 7.601 -0.667 25150 877 1 2 . 1 1 51 51 GLY N N 51 115.165 115.165 115.731 -0.566 25150 878 1 2 . 1 1 51 51 GLY C C 51 173.997 173.997 174.064 -0.067 25150 879 1 2 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.911 0.589 25150 880 1 2 . 1 1 51 51 GLY H H 51 8.752 8.752 8.665 0.087 25150 881 1 2 . 1 1 52 52 GLU N N 52 120.251 120.251 121.971 -1.720 25150 882 1 2 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.250 -0.280 25150 883 1 2 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.126 0.314 25150 884 1 2 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.853 1.847 25150 885 1 2 . 1 1 52 52 GLU H H 52 7.900 7.900 8.101 -0.201 25150 886 1 2 . 1 1 53 53 LYS N N 53 120.435 120.435 126.737 -6.302 25150 887 1 2 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.792 -0.106 25150 888 1 2 . 1 1 53 53 LYS C C 53 175.285 175.285 175.663 -0.378 25150 889 1 2 . 1 1 53 53 LYS CA C 53 55.380 55.380 56.088 -0.708 25150 890 1 2 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.129 0.931 25150 891 1 2 . 1 1 53 53 LYS H H 53 8.046 8.046 8.351 -0.305 25150 892 1 2 . 1 1 54 54 PHE N N 54 122.724 122.724 124.557 -1.833 25150 893 1 2 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.987 0.533 25150 894 1 2 . 1 1 54 54 PHE C C 54 175.151 175.151 174.182 0.969 25150 895 1 2 . 1 1 54 54 PHE CA C 54 54.690 54.690 57.263 -2.573 25150 896 1 2 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.553 1.048 25150 897 1 2 . 1 1 54 54 PHE H H 54 9.082 9.082 9.153 -0.071 25150 898 1 2 . 1 1 55 55 GLN N N 55 121.971 121.971 122.217 -0.246 25150 899 1 2 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.301 0.050 25150 900 1 2 . 1 1 55 55 GLN C C 55 173.802 173.802 173.724 0.078 25150 901 1 2 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.594 1.606 25150 902 1 2 . 1 1 55 55 GLN CB C 55 34.320 34.320 31.962 2.358 25150 903 1 2 . 1 1 55 55 GLN H H 55 10.001 10.001 8.307 1.694 25150 904 1 2 . 1 1 56 56 LEU N N 56 124.898 124.898 126.084 -1.186 25150 905 1 2 . 1 1 56 56 LEU HA H 56 4.692 4.692 4.578 0.114 25150 906 1 2 . 1 1 56 56 LEU C C 56 174.265 174.265 174.269 -0.004 25150 907 1 2 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.971 -0.551 25150 908 1 2 . 1 1 56 56 LEU CB C 56 46.690 46.690 46.274 0.416 25150 909 1 2 . 1 1 56 56 LEU H H 56 9.573 9.573 8.794 0.779 25150 910 1 2 . 1 1 57 57 LEU N N 57 124.234 124.234 122.442 1.792 25150 911 1 2 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.172 -0.002 25150 912 1 2 . 1 1 57 57 LEU C C 57 174.551 174.551 174.550 0.001 25150 913 1 2 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.182 0.488 25150 914 1 2 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.675 0.845 25150 915 1 2 . 1 1 57 57 LEU H H 57 8.890 8.890 8.644 0.246 25150 916 1 2 . 1 1 58 58 PHE N N 58 124.003 124.003 127.137 -3.134 25150 917 1 2 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.499 -0.749 25150 918 1 2 . 1 1 58 58 PHE C C 58 174.407 174.407 175.428 -1.021 25150 919 1 2 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.027 -0.027 25150 920 1 2 . 1 1 58 58 PHE CB C 58 42.940 42.940 41.561 1.379 25150 921 1 2 . 1 1 58 58 PHE H H 58 9.134 9.134 9.380 -0.246 25150 922 1 2 . 1 1 59 59 LYS N N 59 120.089 120.089 121.919 -1.830 25150 923 1 2 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.864 0.019 25150 924 1 2 . 1 1 59 59 LYS C C 59 175.192 175.192 175.214 -0.022 25150 925 1 2 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.959 -0.139 25150 926 1 2 . 1 1 59 59 LYS CB C 59 35.530 35.530 35.292 0.238 25150 927 1 2 . 1 1 59 59 LYS H H 59 8.732 8.732 8.577 0.155 25150 928 1 2 . 1 1 60 60 PHE N N 60 123.988 123.988 121.606 2.382 25150 929 1 2 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.745 -0.441 25150 930 1 2 . 1 1 60 60 PHE C C 60 174.636 174.636 175.159 -0.523 25150 931 1 2 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.906 0.344 25150 932 1 2 . 1 1 60 60 PHE CB C 60 41.160 41.160 41.438 -0.278 25150 933 1 2 . 1 1 60 60 PHE H H 60 8.649 8.649 8.957 -0.308 25150 934 1 2 . 1 1 61 61 SER N N 61 117.599 117.599 117.415 0.184 25150 935 1 2 . 1 1 61 61 SER C C 61 174.771 174.771 175.888 -1.117 25150 936 1 2 . 1 1 61 61 SER CA C 61 57.130 57.130 56.832 0.298 25150 937 1 2 . 1 1 61 61 SER CB C 61 66.030 66.030 65.114 0.916 25150 938 1 2 . 1 1 61 61 SER H H 61 8.066 8.066 8.542 -0.476 25150 939 1 2 . 1 1 62 62 SER N N 62 119.994 119.994 116.121 3.873 25150 940 1 2 . 1 1 62 62 SER CA C 62 61.650 61.650 60.252 1.398 25150 941 1 2 . 1 1 62 62 SER H H 62 8.265 8.265 8.934 -0.669 25150 942 1 2 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.443 0.007 25150 943 1 2 . 1 1 63 63 ARG C C 63 175.086 175.086 176.264 -1.178 25150 944 1 2 . 1 1 63 63 ARG CA C 63 57.670 57.670 55.538 2.132 25150 945 1 2 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.946 -0.896 25150 946 1 2 . 1 1 64 64 TYR N N 64 120.957 120.957 124.872 -3.915 25150 947 1 2 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.421 1.259 25150 948 1 2 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.665 -0.945 25150 949 1 2 . 1 1 64 64 TYR H H 64 7.471 7.471 8.010 -0.539 25150 950 1 2 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.949 -0.279 25150 951 1 2 . 1 1 65 65 PRO C C 65 174.345 174.345 176.064 -1.719 25150 952 1 2 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.650 0.810 25150 953 1 2 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.552 2.818 25150 954 1 2 . 1 1 66 66 PHE N N 66 126.070 126.070 121.524 4.546 25150 955 1 2 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.328 -0.085 25150 956 1 2 . 1 1 66 66 PHE C C 66 175.867 175.867 174.727 1.140 25150 957 1 2 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.817 0.263 25150 958 1 2 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.565 -1.555 25150 959 1 2 . 1 1 66 66 PHE H H 66 8.630 8.630 8.302 0.328 25150 960 1 2 . 1 1 67 67 ASP N N 67 118.021 118.021 119.166 -1.145 25150 961 1 2 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.673 -0.714 25150 962 1 2 . 1 1 67 67 ASP CA C 67 5.630 5.630 54.249 -48.619 25150 963 1 2 . 1 1 67 67 ASP CB C 67 34.840 34.840 41.545 -6.705 25150 964 1 2 . 1 1 67 67 ASP H H 67 7.126 7.126 7.719 -0.593 25150 965 1 2 . 1 1 68 68 SER N N 68 120.730 120.730 117.087 3.643 25150 966 1 2 . 1 1 68 68 SER CA C 68 55.750 55.750 54.760 0.990 25150 967 1 2 . 1 1 68 68 SER CB C 68 61.900 61.900 62.985 -1.085 25150 968 1 2 . 1 1 68 68 SER H H 68 8.091 8.091 8.179 -0.088 25150 969 1 2 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.265 0.091 25150 970 1 2 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.550 -0.470 25150 971 1 2 . 1 1 69 69 PRO CB C 69 32.710 32.710 31.982 0.728 25150 972 1 2 . 1 1 70 70 GLN N N 70 119.493 119.493 119.945 -0.452 25150 973 1 2 . 1 1 70 70 GLN CA C 70 55.070 55.070 53.970 1.100 25150 974 1 2 . 1 1 70 70 GLN CB C 70 30.490 30.490 30.531 -0.041 25150 975 1 2 . 1 1 70 70 GLN H H 70 8.049 8.049 8.397 -0.348 25150 976 1 2 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.300 0.100 25150 977 1 2 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.956 -1.146 25150 978 1 2 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.426 -0.586 25150 979 1 2 . 1 1 72 72 MET N N 72 120.767 120.767 125.847 -5.080 25150 980 1 2 . 1 1 72 72 MET HA H 72 4.731 4.731 5.080 -0.349 25150 981 1 2 . 1 1 72 72 MET C C 72 174.779 174.779 173.998 0.781 25150 982 1 2 . 1 1 72 72 MET CA C 72 54.390 54.390 54.093 0.297 25150 983 1 2 . 1 1 72 72 MET CB C 72 36.140 36.140 37.142 -1.002 25150 984 1 2 . 1 1 72 72 MET H H 72 8.245 8.245 8.242 0.003 25150 985 1 2 . 1 1 73 73 PHE N N 73 120.458 120.458 128.069 -7.611 25150 986 1 2 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.626 0.588 25150 987 1 2 . 1 1 73 73 PHE C C 73 175.404 175.404 174.913 0.491 25150 988 1 2 . 1 1 73 73 PHE CA C 73 59.580 59.580 59.028 0.552 25150 989 1 2 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.219 0.401 25150 990 1 2 . 1 1 73 73 PHE H H 73 9.193 9.193 8.687 0.506 25150 991 1 2 . 1 1 74 74 THR N N 74 113.842 113.842 124.972 -11.130 25150 992 1 2 . 1 1 74 74 THR HA H 74 4.777 4.777 4.555 0.222 25150 993 1 2 . 1 1 74 74 THR C C 74 173.551 173.551 172.915 0.636 25150 994 1 2 . 1 1 74 74 THR CA C 74 59.580 59.580 61.652 -2.072 25150 995 1 2 . 1 1 74 74 THR CB C 74 71.300 71.300 69.972 1.328 25150 996 1 2 . 1 1 74 74 THR H H 74 8.894 8.894 8.133 0.761 25150 997 1 2 . 1 1 75 75 GLY N N 75 109.259 109.259 112.978 -3.719 25150 998 1 2 . 1 1 75 75 GLY C C 75 173.980 173.980 173.424 0.556 25150 999 1 2 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.071 -0.360 25150 1000 1 2 . 1 1 75 75 GLY H H 75 8.058 8.058 7.754 0.304 25150 1001 1 2 . 1 1 76 76 GLU N N 76 116.661 116.661 118.350 -1.689 25150 1002 1 2 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.148 -0.007 25150 1003 1 2 . 1 1 76 76 GLU C C 76 176.624 176.624 175.869 0.755 25150 1004 1 2 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.411 0.629 25150 1005 1 2 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.137 0.773 25150 1006 1 2 . 1 1 76 76 GLU H H 76 8.356 8.356 8.529 -0.173 25150 1007 1 2 . 1 1 77 77 ASN N N 77 118.469 118.469 118.534 -0.065 25150 1008 1 2 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.798 0.312 25150 1009 1 2 . 1 1 77 77 ASN C C 77 176.525 176.525 173.956 2.569 25150 1010 1 2 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.799 -0.559 25150 1011 1 2 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.334 0.376 25150 1012 1 2 . 1 1 77 77 ASN H H 77 8.614 8.614 8.020 0.594 25150 1013 1 2 . 1 1 78 78 ILE N N 78 117.605 117.605 125.232 -7.627 25150 1014 1 2 . 1 1 78 78 ILE CA C 78 59.390 59.390 59.336 0.054 25150 1015 1 2 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.724 3.916 25150 1016 1 2 . 1 1 78 78 ILE H H 78 7.736 7.736 8.154 -0.418 25150 1017 1 2 . 1 1 79 79 PRO C C 79 176.134 176.134 176.166 -0.032 25150 1018 1 2 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.585 0.245 25150 1019 1 2 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.078 -0.918 25150 1020 1 2 . 1 1 80 80 VAL N N 80 123.378 123.378 123.191 0.187 25150 1021 1 2 . 1 1 80 80 VAL CA C 80 62.830 62.830 63.026 -0.195 25150 1022 1 2 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.063 -2.143 25150 1023 1 2 . 1 1 80 80 VAL H H 80 8.297 8.297 8.439 -0.142 25150 1024 1 2 . 1 1 82 82 PRO C C 82 176.169 176.169 176.921 -0.752 25150 1025 1 2 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.818 -0.108 25150 1026 1 2 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.730 -0.060 25150 1027 1 2 . 1 1 83 83 HIS N N 83 121.199 121.199 114.620 6.579 25150 1028 1 2 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.735 0.106 25150 1029 1 2 . 1 1 83 83 HIS C C 83 173.457 173.457 174.100 -0.643 25150 1030 1 2 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.343 -0.663 25150 1031 1 2 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.786 0.444 25150 1032 1 2 . 1 1 83 83 HIS H H 83 10.996 10.996 8.799 2.197 25150 1033 1 2 . 1 1 84 84 VAL N N 84 121.050 121.050 120.852 0.198 25150 1034 1 2 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.796 -0.019 25150 1035 1 2 . 1 1 84 84 VAL C C 84 175.155 175.155 175.109 0.046 25150 1036 1 2 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.994 0.106 25150 1037 1 2 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.616 0.494 25150 1038 1 2 . 1 1 84 84 VAL H H 84 8.058 8.058 7.689 0.369 25150 1039 1 2 . 1 1 85 85 TYR N N 85 126.195 126.195 125.420 0.775 25150 1040 1 2 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.689 -0.004 25150 1041 1 2 . 1 1 85 85 TYR C C 85 179.268 179.268 177.652 1.616 25150 1042 1 2 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.803 1.587 25150 1043 1 2 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.240 1.030 25150 1044 1 2 . 1 1 85 85 TYR H H 85 9.136 9.136 8.978 0.158 25150 1045 1 2 . 1 1 86 86 SER N N 86 115.546 115.546 117.041 -1.495 25150 1046 1 2 . 1 1 86 86 SER HA H 86 3.935 3.935 4.238 -0.303 25150 1047 1 2 . 1 1 86 86 SER C C 86 174.309 174.309 174.846 -0.537 25150 1048 1 2 . 1 1 86 86 SER CA C 86 61.890 61.890 60.500 1.390 25150 1049 1 2 . 1 1 86 86 SER CB C 86 62.230 62.230 63.141 -0.910 25150 1050 1 2 . 1 1 86 86 SER H H 86 10.052 10.052 8.792 1.260 25150 1051 1 2 . 1 1 87 87 ASN N N 87 116.470 116.470 116.881 -0.411 25150 1052 1 2 . 1 1 87 87 ASN C C 87 175.624 175.624 175.972 -0.348 25150 1053 1 2 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.448 -0.108 25150 1054 1 2 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.737 -0.247 25150 1055 1 2 . 1 1 87 87 ASN H H 87 7.331 7.331 8.034 -0.703 25150 1056 1 2 . 1 1 88 88 GLY N N 88 108.412 108.412 107.985 0.427 25150 1057 1 2 . 1 1 88 88 GLY C C 88 174.247 174.247 174.155 0.092 25150 1058 1 2 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.335 0.575 25150 1059 1 2 . 1 1 88 88 GLY H H 88 8.737 8.737 8.302 0.435 25150 1060 1 2 . 1 1 89 89 HIS N N 89 119.508 119.508 122.757 -3.249 25150 1061 1 2 . 1 1 89 89 HIS CA C 89 56.300 56.300 56.845 -0.545 25150 1062 1 2 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.663 1.197 25150 1063 1 2 . 1 1 89 89 HIS H H 89 7.494 7.494 8.726 -1.232 25150 1064 1 2 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.499 -0.085 25150 1065 1 2 . 1 1 90 90 ILE C C 90 174.510 174.510 176.298 -1.788 25150 1066 1 2 . 1 1 90 90 ILE CA C 90 58.320 58.320 58.968 -0.648 25150 1067 1 2 . 1 1 90 90 ILE CB C 90 39.280 39.280 36.364 2.916 25150 1068 1 2 . 1 1 91 91 CYS N N 91 123.587 123.587 128.828 -5.241 25150 1069 1 2 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.251 5.329 25150 1070 1 2 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.142 8.248 25150 1071 1 2 . 1 1 91 91 CYS H H 91 7.304 7.304 8.907 -1.603 25150 1072 1 2 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.491 0.179 25150 1073 1 2 . 1 1 92 92 LEU C C 92 175.822 175.822 177.506 -1.684 25150 1074 1 2 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.595 5.865 25150 1075 1 2 . 1 1 92 92 LEU CB C 92 41.420 41.420 44.435 -3.015 25150 1076 1 2 . 1 1 93 93 SER N N 93 111.707 111.707 119.305 -7.598 25150 1077 1 2 . 1 1 93 93 SER HA H 93 4.331 4.331 4.283 0.048 25150 1078 1 2 . 1 1 93 93 SER C C 93 177.433 177.433 176.041 1.392 25150 1079 1 2 . 1 1 93 93 SER CA C 93 62.150 62.150 60.975 1.175 25150 1080 1 2 . 1 1 93 93 SER H H 93 9.037 9.037 9.010 0.027 25150 1081 1 2 . 1 1 94 94 ILE N N 94 118.993 118.993 115.807 3.186 25150 1082 1 2 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.025 169.513 25150 1083 1 2 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.769 1.541 25150 1084 1 2 . 1 1 94 94 ILE CB C 94 37.900 37.900 36.977 0.923 25150 1085 1 2 . 1 1 94 94 ILE H H 94 7.859 7.859 7.748 0.111 25150 1086 1 2 . 1 1 95 95 LEU N N 95 113.763 113.763 118.040 -4.277 25150 1087 1 2 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.745 -0.093 25150 1088 1 2 . 1 1 95 95 LEU C C 95 178.458 178.458 177.439 1.019 25150 1089 1 2 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.220 0.110 25150 1090 1 2 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.147 -0.067 25150 1091 1 2 . 1 1 95 95 LEU H H 95 7.351 7.351 7.938 -0.587 25150 1092 1 2 . 1 1 96 96 THR N N 96 109.929 109.929 113.188 -3.259 25150 1093 1 2 . 1 1 96 96 THR HA H 96 4.338 4.338 4.465 -0.127 25150 1094 1 2 . 1 1 96 96 THR C C 96 175.947 175.947 176.284 -0.337 25150 1095 1 2 . 1 1 96 96 THR CA C 96 60.960 60.960 63.372 -2.412 25150 1096 1 2 . 1 1 96 96 THR CB C 96 69.280 69.280 68.933 0.347 25150 1097 1 2 . 1 1 96 96 THR H H 96 7.794 7.794 7.989 -0.195 25150 1098 1 2 . 1 1 97 97 GLU N N 97 123.314 123.314 119.777 3.537 25150 1099 1 2 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.187 0.130 25150 1100 1 2 . 1 1 97 97 GLU C C 97 176.907 176.907 177.045 -0.138 25150 1101 1 2 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.907 -0.227 25150 1102 1 2 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.498 1.292 25150 1103 1 2 . 1 1 97 97 GLU H H 97 8.913 8.913 8.575 0.338 25150 1104 1 2 . 1 1 98 98 ASP N N 98 116.420 116.420 116.882 -0.462 25150 1105 1 2 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.233 -0.043 25150 1106 1 2 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.355 0.145 25150 1107 1 2 . 1 1 98 98 ASP H H 98 8.124 8.124 8.173 -0.049 25150 1108 1 2 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.644 -0.224 25150 1109 1 2 . 1 1 99 99 TRP C C 99 176.495 176.495 175.437 1.058 25150 1110 1 2 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.199 0.231 25150 1111 1 2 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.284 -0.704 25150 1112 1 2 . 1 1 100 100 SER N N 100 120.993 120.993 121.397 -0.404 25150 1113 1 2 . 1 1 100 100 SER CA C 100 55.370 55.370 53.839 1.531 25150 1114 1 2 . 1 1 100 100 SER CB C 100 64.860 64.860 64.308 0.552 25150 1115 1 2 . 1 1 100 100 SER H H 100 5.703 5.703 7.357 -1.654 25150 1116 1 2 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.039 0.154 25150 1117 1 2 . 1 1 101 101 PRO C C 101 175.227 175.227 176.269 -1.042 25150 1118 1 2 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.457 -0.757 25150 1119 1 2 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.745 -0.325 25150 1120 1 2 . 1 1 102 102 ALA N N 102 118.668 118.668 117.851 0.817 25150 1121 1 2 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.150 -0.056 25150 1122 1 2 . 1 1 102 102 ALA C C 102 178.797 178.797 177.868 0.929 25150 1123 1 2 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.273 0.557 25150 1124 1 2 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.038 -0.028 25150 1125 1 2 . 1 1 102 102 ALA H H 102 7.290 7.290 7.263 0.027 25150 1126 1 2 . 1 1 103 103 LEU N N 103 119.365 119.365 119.485 -0.120 25150 1127 1 2 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.380 -0.170 25150 1128 1 2 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.784 -1.074 25150 1129 1 2 . 1 1 103 103 LEU H H 103 7.263 7.263 7.205 0.058 25150 1130 1 2 . 1 1 104 104 SER HA H 104 4.381 4.381 4.825 -0.444 25150 1131 1 2 . 1 1 104 104 SER C C 104 175.278 175.278 176.153 -0.875 25150 1132 1 2 . 1 1 104 104 SER CA C 104 56.500 56.500 57.006 -0.506 25150 1133 1 2 . 1 1 104 104 SER CB C 104 66.770 66.770 66.010 0.760 25150 1134 1 2 . 1 1 105 105 VAL N N 105 123.025 123.025 116.315 6.710 25150 1135 1 2 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.993 -0.381 25150 1136 1 2 . 1 1 105 105 VAL C C 105 179.053 179.053 177.472 1.581 25150 1137 1 2 . 1 1 105 105 VAL CA C 105 68.070 68.070 65.638 2.432 25150 1138 1 2 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.340 0.280 25150 1139 1 2 . 1 1 105 105 VAL H H 105 9.841 9.841 9.191 0.650 25150 1140 1 2 . 1 1 106 106 GLN N N 106 121.218 121.218 120.905 0.313 25150 1141 1 2 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.081 -0.226 25150 1142 1 2 . 1 1 106 106 GLN C C 106 177.698 177.698 178.318 -0.620 25150 1143 1 2 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.333 1.797 25150 1144 1 2 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.508 -0.278 25150 1145 1 2 . 1 1 106 106 GLN H H 106 9.109 9.109 8.502 0.607 25150 1146 1 2 . 1 1 107 107 SER N N 107 115.531 115.531 116.385 -0.854 25150 1147 1 2 . 1 1 107 107 SER C C 107 177.828 177.828 177.071 0.757 25150 1148 1 2 . 1 1 107 107 SER CA C 107 62.500 62.500 62.165 0.335 25150 1149 1 2 . 1 1 107 107 SER CB C 107 62.670 62.670 62.828 -0.158 25150 1150 1 2 . 1 1 107 107 SER H H 107 8.209 8.209 8.242 -0.033 25150 1151 1 2 . 1 1 108 108 VAL N N 108 123.756 123.756 122.574 1.182 25150 1152 1 2 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.812 -0.151 25150 1153 1 2 . 1 1 108 108 VAL C C 108 178.087 178.087 177.949 0.138 25150 1154 1 2 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.868 0.102 25150 1155 1 2 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.784 -0.074 25150 1156 1 2 . 1 1 108 108 VAL H H 108 8.256 8.256 7.968 0.288 25150 1157 1 2 . 1 1 109 109 CYS N N 109 118.175 118.175 117.976 0.199 25150 1158 1 2 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.170 -0.235 25150 1159 1 2 . 1 1 109 109 CYS C C 109 176.918 176.918 176.816 0.102 25150 1160 1 2 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.585 1.305 25150 1161 1 2 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.930 0.870 25150 1162 1 2 . 1 1 109 109 CYS H H 109 8.781 8.781 8.031 0.750 25150 1163 1 2 . 1 1 110 110 LEU N N 110 118.491 118.491 121.077 -2.586 25150 1164 1 2 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.008 0.102 25150 1165 1 2 . 1 1 110 110 LEU C C 110 180.150 180.150 178.973 1.177 25150 1166 1 2 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.979 0.501 25150 1167 1 2 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.454 -0.444 25150 1168 1 2 . 1 1 110 110 LEU H H 110 8.543 8.543 8.722 -0.179 25150 1169 1 2 . 1 1 111 111 SER N N 111 117.917 117.917 115.701 2.216 25150 1170 1 2 . 1 1 111 111 SER C C 111 177.009 177.009 176.514 0.495 25150 1171 1 2 . 1 1 111 111 SER CA C 111 63.050 63.050 62.733 0.317 25150 1172 1 2 . 1 1 111 111 SER CB C 111 62.980 62.980 62.891 0.090 25150 1173 1 2 . 1 1 111 111 SER H H 111 8.181 8.181 8.289 -0.108 25150 1174 1 2 . 1 1 112 112 ILE N N 112 124.764 124.764 122.881 1.883 25150 1175 1 2 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.698 -0.025 25150 1176 1 2 . 1 1 112 112 ILE C C 112 177.441 177.441 177.666 -0.225 25150 1177 1 2 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.662 -0.232 25150 1178 1 2 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.951 -0.001 25150 1179 1 2 . 1 1 112 112 ILE H H 112 8.249 8.249 7.889 0.360 25150 1180 1 2 . 1 1 113 113 ILE N N 113 121.123 121.123 120.398 0.725 25150 1181 1 2 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.571 0.025 25150 1182 1 2 . 1 1 113 113 ILE C C 113 179.525 179.525 177.241 2.284 25150 1183 1 2 . 1 1 113 113 ILE CA C 113 66.260 66.260 62.995 3.264 25150 1184 1 2 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.647 1.133 25150 1185 1 2 . 1 1 113 113 ILE H H 113 8.415 8.415 8.144 0.271 25150 1186 1 2 . 1 1 114 114 SER N N 114 115.247 115.247 116.486 -1.239 25150 1187 1 2 . 1 1 114 114 SER HA H 114 4.300 4.300 4.135 0.165 25150 1188 1 2 . 1 1 114 114 SER C C 114 176.915 176.915 176.458 0.457 25150 1189 1 2 . 1 1 114 114 SER CA C 114 61.510 61.510 62.401 -0.892 25150 1190 1 2 . 1 1 114 114 SER CB C 114 62.990 62.990 62.805 0.185 25150 1191 1 2 . 1 1 114 114 SER H H 114 8.241 8.241 8.067 0.174 25150 1192 1 2 . 1 1 115 115 MET N N 115 122.921 122.921 123.458 -0.537 25150 1193 1 2 . 1 1 115 115 MET C C 115 179.552 179.552 178.259 1.293 25150 1194 1 2 . 1 1 115 115 MET CA C 115 59.030 59.030 59.481 -0.451 25150 1195 1 2 . 1 1 115 115 MET CB C 115 33.040 33.040 32.497 0.543 25150 1196 1 2 . 1 1 115 115 MET H H 115 8.216 8.216 8.055 0.161 25150 1197 1 2 . 1 1 116 116 LEU N N 116 120.553 120.553 118.188 2.365 25150 1198 1 2 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.004 0.073 25150 1199 1 2 . 1 1 116 116 LEU C C 116 179.264 179.264 179.589 -0.325 25150 1200 1 2 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.228 1.542 25150 1201 1 2 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.476 -0.846 25150 1202 1 2 . 1 1 116 116 LEU H H 116 7.981 7.981 7.960 0.021 25150 1203 1 2 . 1 1 117 117 SER N N 117 114.100 114.100 113.747 0.353 25150 1204 1 2 . 1 1 117 117 SER HA H 117 4.342 4.342 4.484 -0.142 25150 1205 1 2 . 1 1 117 117 SER C C 117 175.042 175.042 175.485 -0.443 25150 1206 1 2 . 1 1 117 117 SER CA C 117 61.700 61.700 60.910 0.790 25150 1207 1 2 . 1 1 117 117 SER CB C 117 63.120 63.120 64.358 -1.238 25150 1208 1 2 . 1 1 117 117 SER H H 117 8.467 8.467 8.318 0.149 25150 1209 1 2 . 1 1 118 118 SER N N 118 113.628 113.628 115.822 -2.194 25150 1210 1 2 . 1 1 118 118 SER HA H 118 4.485 4.485 4.612 -0.127 25150 1211 1 2 . 1 1 118 118 SER C C 118 174.142 174.142 174.960 -0.818 25150 1212 1 2 . 1 1 118 118 SER CA C 118 59.000 59.000 57.502 1.498 25150 1213 1 2 . 1 1 118 118 SER CB C 118 64.040 64.040 63.549 0.491 25150 1214 1 2 . 1 1 118 118 SER H H 118 8.037 8.037 8.327 -0.290 25150 1215 1 2 . 1 1 119 119 CYS N N 119 122.293 122.293 122.239 0.054 25150 1216 1 2 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.436 -1.246 25150 1217 1 2 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.526 -0.256 25150 1218 1 2 . 1 1 119 119 CYS H H 119 7.250 7.250 7.946 -0.696 25150 1219 1 2 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.264 0.276 25150 1220 1 2 . 1 1 120 120 LYS C C 120 176.345 176.345 176.626 -0.281 25150 1221 1 2 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.270 7.780 25150 1222 1 2 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.742 0.808 25150 1223 1 2 . 1 1 121 121 GLU N N 121 120.936 120.936 120.096 0.840 25150 1224 1 2 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.238 -0.009 25150 1225 1 2 . 1 1 121 121 GLU C C 121 174.053 174.053 177.347 -3.294 25150 1226 1 2 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.495 -0.305 25150 1227 1 2 . 1 1 121 121 GLU CB C 121 32.690 32.690 29.703 2.987 25150 1228 1 2 . 1 1 121 121 GLU H H 121 7.700 7.700 8.177 -0.477 25150 1229 1 2 . 1 1 122 122 LYS N N 122 127.472 127.472 126.120 1.352 25150 1230 1 2 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.177 -0.315 25150 1231 1 2 . 1 1 122 122 LYS C C 122 174.440 174.440 176.754 -2.314 25150 1232 1 2 . 1 1 122 122 LYS CA C 122 58.280 58.280 57.541 0.739 25150 1233 1 2 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.066 -0.655 25150 1234 1 2 . 1 1 122 122 LYS H H 122 8.890 8.890 8.614 0.276 25150 1235 1 2 . 1 1 123 123 ARG N N 123 123.268 123.268 119.214 4.054 25150 1236 1 2 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.460 -0.190 25150 1237 1 2 . 1 1 123 123 ARG C C 123 172.653 172.653 174.714 -2.061 25150 1238 1 2 . 1 1 123 123 ARG CA C 123 54.580 54.580 54.452 0.128 25150 1239 1 2 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.776 -0.546 25150 1240 1 2 . 1 1 123 123 ARG H H 123 6.841 6.841 8.204 -1.363 25150 1241 1 2 . 1 1 124 124 ARG N N 124 116.787 116.787 121.748 -4.961 25150 1242 1 2 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.273 0.437 25150 1243 1 2 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.132 -0.052 25150 1244 1 2 . 1 1 124 124 ARG H H 124 8.044 8.044 8.272 -0.228 25150 1245 1 2 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.731 0.069 25150 1246 1 2 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.817 -0.036 25150 1247 1 2 . 1 1 127 127 ASP N N 127 115.165 115.165 111.100 4.065 25150 1248 1 2 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.708 0.416 25150 1249 1 2 . 1 1 127 127 ASP C C 127 172.871 172.871 176.186 -3.315 25150 1250 1 2 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.199 -0.529 25150 1251 1 2 . 1 1 127 127 ASP CB C 127 39.140 39.140 41.413 -2.273 25150 1252 1 2 . 1 1 127 127 ASP H H 127 8.711 8.711 7.918 0.793 25150 1253 1 2 . 1 1 128 128 ASN N N 128 127.858 127.858 117.173 10.685 25150 1254 1 2 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.601 0.879 25150 1255 1 2 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.362 0.198 25150 1256 1 2 . 1 1 128 128 ASN H H 128 8.502 8.502 8.688 -0.186 25150 1257 1 2 . 1 1 129 129 SER C C 129 176.346 176.346 176.374 -0.028 25150 1258 1 2 . 1 1 129 129 SER CA C 129 62.330 62.330 61.446 0.884 25150 1259 1 2 . 1 1 130 130 PHE N N 130 121.897 121.897 125.086 -3.189 25150 1260 1 2 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.148 -0.028 25150 1261 1 2 . 1 1 130 130 PHE C C 130 177.740 177.740 176.618 1.122 25150 1262 1 2 . 1 1 130 130 PHE CA C 130 60.960 60.960 62.365 -1.405 25150 1263 1 2 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.034 0.726 25150 1264 1 2 . 1 1 130 130 PHE H H 130 8.022 8.022 8.911 -0.889 25150 1265 1 2 . 1 1 131 131 TYR N N 131 122.173 122.173 120.763 1.410 25150 1266 1 2 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.114 -0.368 25150 1267 1 2 . 1 1 131 131 TYR C C 131 178.140 178.140 177.867 0.273 25150 1268 1 2 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.842 0.448 25150 1269 1 2 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.539 1.001 25150 1270 1 2 . 1 1 131 131 TYR H H 131 8.871 8.871 8.332 0.539 25150 1271 1 2 . 1 1 132 132 VAL N N 132 116.993 116.993 117.916 -0.923 25150 1272 1 2 . 1 1 132 132 VAL C C 132 178.082 178.082 177.616 0.466 25150 1273 1 2 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.188 0.142 25150 1274 1 2 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.680 -0.230 25150 1275 1 2 . 1 1 132 132 VAL H H 132 8.551 8.551 8.005 0.546 25150 1276 1 2 . 1 1 133 133 ARG N N 133 118.860 118.860 117.192 1.668 25150 1277 1 2 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.036 -0.056 25150 1278 1 2 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.487 -0.237 25150 1279 1 2 . 1 1 133 133 ARG H H 133 7.545 7.545 8.079 -0.534 25150 1280 1 2 . 1 1 134 134 THR CA C 134 62.280 62.280 64.987 -2.707 25150 1281 1 2 . 1 1 134 134 THR CB C 134 69.790 69.790 68.301 1.489 25150 1282 1 2 . 1 1 135 135 CYS N N 135 125.959 125.959 120.410 5.549 25150 1283 1 2 . 1 1 135 135 CYS CA C 135 59.760 59.760 59.178 0.582 25150 1284 1 2 . 1 1 135 135 CYS CB C 135 39.010 39.010 26.266 12.744 25150 1285 1 2 . 1 1 135 135 CYS H H 135 7.881 7.881 7.882 -0.001 25150 1286 1 2 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.562 -0.552 25150 1287 1 2 . 1 1 136 136 ASN C C 136 177.768 177.768 175.558 2.210 25150 1288 1 2 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.948 -0.788 25150 1289 1 2 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.487 -0.017 25150 1290 1 2 . 1 1 137 137 LYS N N 137 119.224 119.224 119.658 -0.434 25150 1291 1 2 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.474 -0.278 25150 1292 1 2 . 1 1 137 137 LYS C C 137 176.185 176.185 174.878 1.307 25150 1293 1 2 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.857 1.123 25150 1294 1 2 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.310 0.560 25150 1295 1 2 . 1 1 137 137 LYS H H 137 7.678 7.678 7.838 -0.160 25150 1296 1 2 . 1 1 138 138 ASN N N 138 117.174 117.174 120.787 -3.613 25150 1297 1 2 . 1 1 138 138 ASN CA C 138 51.530 51.530 50.684 0.846 25150 1298 1 2 . 1 1 138 138 ASN CB C 138 38.940 38.940 39.813 -0.873 25150 1299 1 2 . 1 1 138 138 ASN H H 138 7.969 7.969 8.201 -0.232 25150 1300 1 2 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.484 -0.086 25150 1301 1 2 . 1 1 139 139 PRO C C 139 177.335 177.335 176.998 0.337 25150 1302 1 2 . 1 1 139 139 PRO CA C 139 63.850 63.850 63.359 0.491 25150 1303 1 2 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.209 -0.099 25150 1304 1 2 . 1 1 140 140 LYS N N 140 118.218 118.218 121.725 -3.507 25150 1305 1 2 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.239 28.411 25150 1306 1 2 . 1 1 140 140 LYS C C 140 176.564 176.564 176.868 -0.304 25150 1307 1 2 . 1 1 140 140 LYS CA C 140 56.990 56.990 56.614 0.376 25150 1308 1 2 . 1 1 140 140 LYS H H 140 8.108 8.108 8.426 -0.318 25150 1309 1 2 . 1 1 141 141 LYS N N 141 119.276 119.276 126.382 -7.106 25150 1310 1 2 . 1 1 141 141 LYS C C 141 177.924 177.924 176.473 1.451 25150 1311 1 2 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.420 -0.320 25150 1312 1 2 . 1 1 141 141 LYS CB C 141 29.780 29.780 31.321 -1.541 25150 1313 1 2 . 1 1 141 141 LYS H H 141 8.135 8.135 8.718 -0.583 25150 1314 1 2 . 1 1 142 142 THR N N 142 115.380 115.380 112.758 2.622 25150 1315 1 2 . 1 1 142 142 THR CA C 142 61.850 61.850 61.928 -0.078 25150 1316 1 2 . 1 1 142 142 THR CB C 142 69.660 69.660 69.352 0.308 25150 1317 1 2 . 1 1 142 142 THR H H 142 8.030 8.030 8.147 -0.117 25150 1318 1 2 . 1 1 143 143 LYS C C 143 178.955 178.955 175.148 3.807 25150 1319 1 2 . 1 1 144 144 TRP N N 144 120.470 120.470 121.411 -0.941 25150 1320 1 2 . 1 1 144 144 TRP C C 144 176.557 176.557 176.674 -0.117 25150 1321 1 2 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.317 1.553 25150 1322 1 2 . 1 1 144 144 TRP CB C 144 33.000 33.000 30.051 2.949 25150 1323 1 2 . 1 1 144 144 TRP H H 144 8.094 8.094 7.745 0.349 25150 1324 1 2 . 1 1 145 145 TRP N N 145 120.330 120.330 126.852 -6.522 25150 1325 1 2 . 1 1 145 145 TRP CA C 145 57.120 57.120 57.285 -0.165 25150 1326 1 2 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.164 2.686 25150 1327 1 2 . 1 1 145 145 TRP H H 145 8.488 8.488 8.492 -0.004 25150 1328 1 2 . 1 1 146 146 TYR C C 146 174.706 174.706 174.031 0.675 25150 1329 1 2 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.147 0.283 25150 1330 1 2 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.340 -0.600 25150 1331 1 2 . 1 1 147 147 HIS N N 147 121.604 121.604 125.666 -4.062 25150 1332 1 2 . 1 1 147 147 HIS HA H 147 4.186 4.186 2.999 1.187 25150 1333 1 2 . 1 1 147 147 HIS C C 147 176.874 176.874 174.028 2.846 25150 1334 1 2 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.540 0.700 25150 1335 1 2 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.645 0.555 25150 1336 1 2 . 1 1 147 147 HIS H H 147 7.886 7.886 7.832 0.054 25150 1337 1 2 . 1 1 148 148 ASP N N 148 122.629 122.629 124.709 -2.080 25150 1338 1 2 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.374 0.170 25150 1339 1 2 . 1 1 148 148 ASP C C 148 175.661 175.661 175.774 -0.113 25150 1340 1 2 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.203 -0.023 25150 1341 1 2 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.109 0.570 25150 1342 1 2 . 1 1 148 148 ASP H H 148 8.109 8.109 7.768 0.341 25150 1343 1 2 . 1 1 149 149 ASP N N 149 121.321 121.321 122.170 -0.849 25150 1344 1 2 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.609 0.045 25150 1345 1 2 . 1 1 149 149 ASP C C 149 176.551 176.551 176.917 -0.366 25150 1346 1 2 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.719 -0.109 25150 1347 1 2 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.295 0.065 25150 1348 1 2 . 1 1 149 149 ASP H H 149 8.395 8.395 8.457 -0.062 25150 1349 1 2 . 1 1 150 150 THR N N 150 113.450 113.450 116.876 -3.426 25150 1350 1 2 . 1 1 150 150 THR HA H 150 4.296 4.296 4.316 -0.020 25150 1351 1 2 . 1 1 150 150 THR C C 150 173.994 173.994 174.610 -0.616 25150 1352 1 2 . 1 1 150 150 THR CA C 150 62.310 62.310 64.436 -2.127 25150 1353 1 2 . 1 1 150 150 THR CB C 150 69.870 69.870 69.009 0.861 25150 1354 1 2 . 1 1 150 150 THR H H 150 8.259 8.259 8.387 -0.128 25150 1355 1 3 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.295 -0.001 25150 1356 1 3 . 1 1 6 6 LYS C C 6 176.970 176.970 179.016 -2.046 25150 1357 1 3 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.557 -1.187 25150 1358 1 3 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.289 0.191 25150 1359 1 3 . 1 1 7 7 ARG N N 7 119.704 119.704 120.399 -0.695 25150 1360 1 3 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.076 0.122 25150 1361 1 3 . 1 1 7 7 ARG C C 7 178.270 178.270 178.661 -0.391 25150 1362 1 3 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.398 -0.368 25150 1363 1 3 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.127 -1.567 25150 1364 1 3 . 1 1 7 7 ARG H H 7 8.599 8.599 7.951 0.648 25150 1365 1 3 . 1 1 8 8 LEU N N 8 119.704 119.704 119.320 0.384 25150 1366 1 3 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.068 0.022 25150 1367 1 3 . 1 1 8 8 LEU C C 8 178.980 178.980 179.135 -0.155 25150 1368 1 3 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.044 0.246 25150 1369 1 3 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.676 0.384 25150 1370 1 3 . 1 1 8 8 LEU H H 8 8.599 8.599 8.181 0.418 25150 1371 1 3 . 1 1 9 9 GLN N N 9 117.512 117.512 118.628 -1.116 25150 1372 1 3 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.988 0.049 25150 1373 1 3 . 1 1 9 9 GLN C C 9 178.610 178.610 178.651 -0.041 25150 1374 1 3 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.374 -0.064 25150 1375 1 3 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.632 -0.152 25150 1376 1 3 . 1 1 9 9 GLN H H 9 8.066 8.066 8.424 -0.358 25150 1377 1 3 . 1 1 10 10 LYS N N 10 119.556 119.556 120.125 -0.569 25150 1378 1 3 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.980 0.100 25150 1379 1 3 . 1 1 10 10 LYS C C 10 180.040 180.040 179.133 0.907 25150 1380 1 3 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.757 -0.077 25150 1381 1 3 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.261 0.199 25150 1382 1 3 . 1 1 10 10 LYS H H 10 7.678 7.678 8.260 -0.582 25150 1383 1 3 . 1 1 11 11 GLU N N 11 120.347 120.347 120.291 0.056 25150 1384 1 3 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.026 0.150 25150 1385 1 3 . 1 1 11 11 GLU C C 11 178.770 178.770 178.830 -0.060 25150 1386 1 3 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.598 1.442 25150 1387 1 3 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.673 0.987 25150 1388 1 3 . 1 1 11 11 GLU H H 11 8.533 8.533 8.298 0.235 25150 1389 1 3 . 1 1 12 12 LEU N N 12 123.285 123.285 120.357 2.928 25150 1390 1 3 . 1 1 12 12 LEU C C 12 178.570 178.570 178.965 -0.395 25150 1391 1 3 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.833 0.287 25150 1392 1 3 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.559 -0.479 25150 1393 1 3 . 1 1 12 12 LEU H H 12 8.685 8.685 8.027 0.658 25150 1394 1 3 . 1 1 13 13 LEU N N 13 118.881 118.881 119.321 -0.440 25150 1395 1 3 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.189 -0.192 25150 1396 1 3 . 1 1 13 13 LEU C C 13 179.260 179.260 179.391 -0.131 25150 1397 1 3 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.564 0.336 25150 1398 1 3 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.498 0.392 25150 1399 1 3 . 1 1 13 13 LEU H H 13 7.588 7.588 8.014 -0.426 25150 1400 1 3 . 1 1 14 14 ALA N N 14 120.667 120.667 122.490 -1.823 25150 1401 1 3 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.009 0.181 25150 1402 1 3 . 1 1 14 14 ALA C C 14 176.270 176.270 179.554 -3.284 25150 1403 1 3 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.155 0.035 25150 1404 1 3 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.222 -0.192 25150 1405 1 3 . 1 1 14 14 ALA H H 14 7.617 7.617 8.303 -0.686 25150 1406 1 3 . 1 1 15 15 LEU N N 15 119.965 119.965 120.663 -0.698 25150 1407 1 3 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.297 0.153 25150 1408 1 3 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.809 0.451 25150 1409 1 3 . 1 1 15 15 LEU H H 15 7.726 7.726 8.051 -0.325 25150 1410 1 3 . 1 1 16 16 GLN N N 16 115.381 115.381 116.844 -1.463 25150 1411 1 3 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.875 0.103 25150 1412 1 3 . 1 1 16 16 GLN C C 16 177.950 177.950 178.105 -0.155 25150 1413 1 3 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.688 -0.229 25150 1414 1 3 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.824 0.966 25150 1415 1 3 . 1 1 16 16 GLN H H 16 8.028 8.028 8.197 -0.169 25150 1416 1 3 . 1 1 17 17 ASN N N 17 114.975 114.975 116.786 -1.811 25150 1417 1 3 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.561 0.069 25150 1418 1 3 . 1 1 17 17 ASN C C 17 175.303 175.303 175.584 -0.281 25150 1419 1 3 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.227 -0.347 25150 1420 1 3 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.143 0.707 25150 1421 1 3 . 1 1 17 17 ASN H H 17 8.136 8.136 8.120 0.016 25150 1422 1 3 . 1 1 18 18 ASP N N 18 119.698 119.698 117.888 1.810 25150 1423 1 3 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.201 1.259 25150 1424 1 3 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.231 -0.721 25150 1425 1 3 . 1 1 18 18 ASP H H 18 8.218 8.218 8.057 0.161 25150 1426 1 3 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.345 -0.030 25150 1427 1 3 . 1 1 21 21 PRO C C 21 177.867 177.867 177.943 -0.076 25150 1428 1 3 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.123 -0.303 25150 1429 1 3 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.964 -0.394 25150 1430 1 3 . 1 1 22 22 GLY N N 22 111.293 111.293 112.150 -0.857 25150 1431 1 3 . 1 1 22 22 GLY C C 22 174.342 174.342 174.127 0.215 25150 1432 1 3 . 1 1 22 22 GLY CA C 22 45.990 45.990 44.946 1.044 25150 1433 1 3 . 1 1 22 22 GLY H H 22 8.506 8.506 8.621 -0.115 25150 1434 1 3 . 1 1 23 23 MET N N 23 118.966 118.966 121.579 -2.613 25150 1435 1 3 . 1 1 23 23 MET HA H 23 5.699 5.699 4.709 0.990 25150 1436 1 3 . 1 1 23 23 MET C C 23 175.386 175.386 174.834 0.552 25150 1437 1 3 . 1 1 23 23 MET CA C 23 55.270 55.270 54.873 0.397 25150 1438 1 3 . 1 1 23 23 MET CB C 23 35.890 35.890 33.228 2.662 25150 1439 1 3 . 1 1 23 23 MET H H 23 8.017 8.017 7.963 0.054 25150 1440 1 3 . 1 1 24 24 THR N N 24 112.647 112.647 123.450 -10.803 25150 1441 1 3 . 1 1 24 24 THR HA H 24 4.596 4.596 4.314 0.282 25150 1442 1 3 . 1 1 24 24 THR C C 24 173.407 173.407 174.644 -1.237 25150 1443 1 3 . 1 1 24 24 THR CA C 24 60.850 60.850 63.383 -2.533 25150 1444 1 3 . 1 1 24 24 THR CB C 24 72.360 72.360 69.514 2.846 25150 1445 1 3 . 1 1 24 24 THR H H 24 8.565 8.565 8.348 0.217 25150 1446 1 3 . 1 1 25 25 LEU N N 25 126.920 126.920 123.822 3.098 25150 1447 1 3 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.132 0.164 25150 1448 1 3 . 1 1 25 25 LEU C C 25 175.624 175.624 176.553 -0.929 25150 1449 1 3 . 1 1 25 25 LEU CA C 25 56.170 56.170 55.298 0.872 25150 1450 1 3 . 1 1 25 25 LEU CB C 25 42.710 42.710 42.268 0.442 25150 1451 1 3 . 1 1 25 25 LEU H H 25 9.189 9.189 8.161 1.028 25150 1452 1 3 . 1 1 26 26 ASN N N 26 127.108 127.108 119.259 7.849 25150 1453 1 3 . 1 1 26 26 ASN C C 26 173.783 173.783 175.621 -1.838 25150 1454 1 3 . 1 1 26 26 ASN CA C 26 54.100 54.100 53.493 0.607 25150 1455 1 3 . 1 1 26 26 ASN CB C 26 40.370 40.370 38.309 2.061 25150 1456 1 3 . 1 1 26 26 ASN H H 26 9.000 9.000 8.403 0.597 25150 1457 1 3 . 1 1 27 27 GLU N N 27 108.990 108.990 123.991 -15.001 25150 1458 1 3 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.541 0.069 25150 1459 1 3 . 1 1 27 27 GLU H H 27 7.631 7.631 8.454 -0.823 25150 1460 1 3 . 1 1 30 30 VAL C C 30 177.011 177.011 176.467 0.544 25150 1461 1 3 . 1 1 30 30 VAL CA C 30 55.230 55.230 62.047 -6.817 25150 1462 1 3 . 1 1 30 30 VAL CB C 30 30.860 30.860 32.881 -2.021 25150 1463 1 3 . 1 1 31 31 GLN N N 31 125.960 125.960 126.599 -0.639 25150 1464 1 3 . 1 1 31 31 GLN CA C 31 58.430 58.430 57.576 0.854 25150 1465 1 3 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.479 0.651 25150 1466 1 3 . 1 1 31 31 GLN H H 31 7.880 7.880 8.969 -1.089 25150 1467 1 3 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.852 -0.192 25150 1468 1 3 . 1 1 34 34 ILE C C 34 178.642 178.642 175.419 3.223 25150 1469 1 3 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.735 -5.765 25150 1470 1 3 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.040 3.960 25150 1471 1 3 . 1 1 35 35 THR N N 35 110.980 110.980 109.106 1.874 25150 1472 1 3 . 1 1 35 35 THR CA C 35 61.070 61.070 61.637 -0.567 25150 1473 1 3 . 1 1 35 35 THR CB C 35 69.090 69.090 69.625 -0.535 25150 1474 1 3 . 1 1 35 35 THR H H 35 7.825 7.825 7.825 -0.000 25150 1475 1 3 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.011 0.613 25150 1476 1 3 . 1 1 36 36 GLN C C 36 174.178 174.178 173.805 0.373 25150 1477 1 3 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.661 0.429 25150 1478 1 3 . 1 1 36 36 GLN CB C 36 32.290 32.290 30.702 1.588 25150 1479 1 3 . 1 1 37 37 TRP N N 37 123.942 123.942 126.956 -3.014 25150 1480 1 3 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.238 0.338 25150 1481 1 3 . 1 1 37 37 TRP C C 37 174.959 174.959 175.029 -0.070 25150 1482 1 3 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.829 -1.199 25150 1483 1 3 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.798 0.152 25150 1484 1 3 . 1 1 37 37 TRP H H 37 9.242 9.242 9.235 0.007 25150 1485 1 3 . 1 1 38 38 ILE N N 38 121.559 121.559 121.500 0.059 25150 1486 1 3 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.372 -0.093 25150 1487 1 3 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.063 -0.633 25150 1488 1 3 . 1 1 38 38 ILE CB C 38 39.240 39.240 41.364 -2.124 25150 1489 1 3 . 1 1 38 38 ILE H H 38 8.778 8.778 8.821 -0.043 25150 1490 1 3 . 1 1 39 39 VAL N N 39 128.719 128.719 127.113 1.606 25150 1491 1 3 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.481 0.100 25150 1492 1 3 . 1 1 39 39 VAL C C 39 175.175 175.175 174.288 0.887 25150 1493 1 3 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.956 0.294 25150 1494 1 3 . 1 1 39 39 VAL CB C 39 35.850 35.850 35.739 0.112 25150 1495 1 3 . 1 1 39 39 VAL H H 39 9.533 9.533 8.856 0.677 25150 1496 1 3 . 1 1 40 40 ASP N N 40 128.451 128.451 129.185 -0.734 25150 1497 1 3 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.351 -0.133 25150 1498 1 3 . 1 1 40 40 ASP C C 40 175.157 175.157 174.872 0.285 25150 1499 1 3 . 1 1 40 40 ASP CA C 40 55.310 55.310 52.960 2.350 25150 1500 1 3 . 1 1 40 40 ASP CB C 40 42.500 42.500 41.196 1.304 25150 1501 1 3 . 1 1 40 40 ASP H H 40 9.165 9.165 8.800 0.365 25150 1502 1 3 . 1 1 41 41 MET N N 41 120.544 120.544 126.408 -5.864 25150 1503 1 3 . 1 1 41 41 MET HA H 41 5.467 5.467 5.520 -0.053 25150 1504 1 3 . 1 1 41 41 MET C C 41 173.590 173.590 174.391 -0.801 25150 1505 1 3 . 1 1 41 41 MET CA C 41 54.610 54.610 54.506 0.104 25150 1506 1 3 . 1 1 41 41 MET CB C 41 37.490 37.490 37.110 0.380 25150 1507 1 3 . 1 1 41 41 MET H H 41 8.756 8.756 8.853 -0.097 25150 1508 1 3 . 1 1 42 42 GLU N N 42 125.740 125.740 126.241 -0.501 25150 1509 1 3 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.424 -0.414 25150 1510 1 3 . 1 1 42 42 GLU C C 42 177.323 177.323 177.040 0.283 25150 1511 1 3 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.124 0.356 25150 1512 1 3 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.729 -1.469 25150 1513 1 3 . 1 1 42 42 GLU H H 42 8.706 8.706 8.711 -0.005 25150 1514 1 3 . 1 1 43 43 GLY N N 43 111.314 111.314 112.859 -1.545 25150 1515 1 3 . 1 1 43 43 GLY C C 43 174.121 174.121 173.587 0.534 25150 1516 1 3 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.066 0.324 25150 1517 1 3 . 1 1 43 43 GLY H H 43 8.917 8.917 8.790 0.127 25150 1518 1 3 . 1 1 44 44 ALA N N 44 128.665 128.665 125.629 3.036 25150 1519 1 3 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.243 0.817 25150 1520 1 3 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.854 -0.384 25150 1521 1 3 . 1 1 44 44 ALA H H 44 8.918 8.918 8.614 0.304 25150 1522 1 3 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.260 0.040 25150 1523 1 3 . 1 1 45 45 PRO C C 45 177.598 177.598 177.574 0.024 25150 1524 1 3 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.674 -0.264 25150 1525 1 3 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.555 0.235 25150 1526 1 3 . 1 1 46 46 GLY N N 46 111.319 111.319 113.264 -1.945 25150 1527 1 3 . 1 1 46 46 GLY C C 46 174.290 174.290 174.701 -0.411 25150 1528 1 3 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.255 0.655 25150 1529 1 3 . 1 1 46 46 GLY H H 46 9.449 9.449 9.333 0.116 25150 1530 1 3 . 1 1 47 47 THR N N 47 107.981 107.981 112.225 -4.244 25150 1531 1 3 . 1 1 47 47 THR HA H 47 4.801 4.801 4.624 0.177 25150 1532 1 3 . 1 1 47 47 THR C C 47 176.158 176.158 176.097 0.061 25150 1533 1 3 . 1 1 47 47 THR CA C 47 60.380 60.380 60.021 0.359 25150 1534 1 3 . 1 1 47 47 THR CB C 47 73.420 73.420 71.274 2.146 25150 1535 1 3 . 1 1 47 47 THR H H 47 7.426 7.426 7.480 -0.054 25150 1536 1 3 . 1 1 48 48 LEU N N 48 119.132 119.132 120.685 -1.553 25150 1537 1 3 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.087 -0.030 25150 1538 1 3 . 1 1 48 48 LEU C C 48 175.907 175.907 177.215 -1.308 25150 1539 1 3 . 1 1 48 48 LEU CA C 48 56.490 56.490 57.107 -0.617 25150 1540 1 3 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.685 -0.065 25150 1541 1 3 . 1 1 48 48 LEU H H 48 8.966 8.966 8.843 0.123 25150 1542 1 3 . 1 1 49 49 TYR N N 49 113.649 113.649 115.110 -1.461 25150 1543 1 3 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.850 -0.025 25150 1544 1 3 . 1 1 49 49 TYR C C 49 174.634 174.634 175.569 -0.935 25150 1545 1 3 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.540 -0.430 25150 1546 1 3 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.974 -0.584 25150 1547 1 3 . 1 1 49 49 TYR H H 49 7.205 7.205 7.774 -0.569 25150 1548 1 3 . 1 1 50 50 GLU N N 50 122.006 122.006 122.350 -0.344 25150 1549 1 3 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.132 -0.655 25150 1550 1 3 . 1 1 50 50 GLU C C 50 177.182 177.182 177.707 -0.525 25150 1551 1 3 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.130 -0.030 25150 1552 1 3 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.675 1.365 25150 1553 1 3 . 1 1 50 50 GLU H H 50 6.934 6.934 7.611 -0.677 25150 1554 1 3 . 1 1 51 51 GLY N N 51 115.165 115.165 115.548 -0.383 25150 1555 1 3 . 1 1 51 51 GLY C C 51 173.997 173.997 173.882 0.115 25150 1556 1 3 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.792 0.708 25150 1557 1 3 . 1 1 51 51 GLY H H 51 8.752 8.752 8.645 0.107 25150 1558 1 3 . 1 1 52 52 GLU N N 52 120.251 120.251 121.957 -1.706 25150 1559 1 3 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.194 -0.224 25150 1560 1 3 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.927 0.513 25150 1561 1 3 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.355 2.345 25150 1562 1 3 . 1 1 52 52 GLU H H 52 7.900 7.900 8.166 -0.266 25150 1563 1 3 . 1 1 53 53 LYS N N 53 120.435 120.435 124.156 -3.721 25150 1564 1 3 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.047 -0.361 25150 1565 1 3 . 1 1 53 53 LYS C C 53 175.285 175.285 175.890 -0.605 25150 1566 1 3 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.640 0.740 25150 1567 1 3 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.436 0.624 25150 1568 1 3 . 1 1 53 53 LYS H H 53 8.046 8.046 8.179 -0.133 25150 1569 1 3 . 1 1 54 54 PHE N N 54 122.724 122.724 120.688 2.036 25150 1570 1 3 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.691 0.829 25150 1571 1 3 . 1 1 54 54 PHE C C 54 175.151 175.151 174.811 0.340 25150 1572 1 3 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.998 -2.308 25150 1573 1 3 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.439 1.161 25150 1574 1 3 . 1 1 54 54 PHE H H 54 9.082 9.082 9.110 -0.028 25150 1575 1 3 . 1 1 55 55 GLN N N 55 121.971 121.971 122.858 -0.887 25150 1576 1 3 . 1 1 55 55 GLN HA H 55 5.351 5.351 4.874 0.477 25150 1577 1 3 . 1 1 55 55 GLN C C 55 173.802 173.802 174.769 -0.967 25150 1578 1 3 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.945 1.255 25150 1579 1 3 . 1 1 55 55 GLN CB C 55 34.320 34.320 28.388 5.932 25150 1580 1 3 . 1 1 55 55 GLN H H 55 10.001 10.001 8.995 1.006 25150 1581 1 3 . 1 1 56 56 LEU N N 56 124.898 124.898 124.990 -0.092 25150 1582 1 3 . 1 1 56 56 LEU HA H 56 4.692 4.692 4.912 -0.220 25150 1583 1 3 . 1 1 56 56 LEU C C 56 174.265 174.265 175.338 -1.073 25150 1584 1 3 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.961 -0.541 25150 1585 1 3 . 1 1 56 56 LEU CB C 56 46.690 46.690 43.576 3.114 25150 1586 1 3 . 1 1 56 56 LEU H H 56 9.573 9.573 9.198 0.375 25150 1587 1 3 . 1 1 57 57 LEU N N 57 124.234 124.234 124.020 0.214 25150 1588 1 3 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.113 0.057 25150 1589 1 3 . 1 1 57 57 LEU C C 57 174.551 174.551 174.062 0.489 25150 1590 1 3 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.147 0.523 25150 1591 1 3 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.763 -0.243 25150 1592 1 3 . 1 1 57 57 LEU H H 57 8.890 8.890 8.759 0.131 25150 1593 1 3 . 1 1 58 58 PHE N N 58 124.003 124.003 126.795 -2.792 25150 1594 1 3 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.264 -0.514 25150 1595 1 3 . 1 1 58 58 PHE C C 58 174.407 174.407 174.881 -0.474 25150 1596 1 3 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.758 0.242 25150 1597 1 3 . 1 1 58 58 PHE CB C 58 42.940 42.940 41.171 1.769 25150 1598 1 3 . 1 1 58 58 PHE H H 58 9.134 9.134 9.300 -0.166 25150 1599 1 3 . 1 1 59 59 LYS N N 59 120.089 120.089 122.574 -2.485 25150 1600 1 3 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.093 -0.210 25150 1601 1 3 . 1 1 59 59 LYS C C 59 175.192 175.192 175.222 -0.030 25150 1602 1 3 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.572 0.248 25150 1603 1 3 . 1 1 59 59 LYS CB C 59 35.530 35.530 35.120 0.410 25150 1604 1 3 . 1 1 59 59 LYS H H 59 8.732 8.732 8.393 0.339 25150 1605 1 3 . 1 1 60 60 PHE N N 60 123.988 123.988 122.468 1.520 25150 1606 1 3 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.437 -0.133 25150 1607 1 3 . 1 1 60 60 PHE C C 60 174.636 174.636 174.783 -0.147 25150 1608 1 3 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.842 0.408 25150 1609 1 3 . 1 1 60 60 PHE CB C 60 41.160 41.160 41.090 0.070 25150 1610 1 3 . 1 1 60 60 PHE H H 60 8.649 8.649 8.377 0.272 25150 1611 1 3 . 1 1 61 61 SER N N 61 117.599 117.599 117.123 0.476 25150 1612 1 3 . 1 1 61 61 SER C C 61 174.771 174.771 174.691 0.080 25150 1613 1 3 . 1 1 61 61 SER CA C 61 57.130 57.130 57.061 0.069 25150 1614 1 3 . 1 1 61 61 SER CB C 61 66.030 66.030 64.983 1.047 25150 1615 1 3 . 1 1 61 61 SER H H 61 8.066 8.066 8.468 -0.402 25150 1616 1 3 . 1 1 62 62 SER N N 62 119.994 119.994 114.666 5.328 25150 1617 1 3 . 1 1 62 62 SER CA C 62 61.650 61.650 59.942 1.708 25150 1618 1 3 . 1 1 62 62 SER H H 62 8.265 8.265 8.726 -0.461 25150 1619 1 3 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.300 0.150 25150 1620 1 3 . 1 1 63 63 ARG C C 63 175.086 175.086 176.473 -1.387 25150 1621 1 3 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.036 0.634 25150 1622 1 3 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.933 -0.884 25150 1623 1 3 . 1 1 64 64 TYR N N 64 120.957 120.957 123.723 -2.766 25150 1624 1 3 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.049 1.631 25150 1625 1 3 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.391 -0.670 25150 1626 1 3 . 1 1 64 64 TYR H H 64 7.471 7.471 7.933 -0.462 25150 1627 1 3 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.386 0.284 25150 1628 1 3 . 1 1 65 65 PRO C C 65 174.345 174.345 176.943 -2.598 25150 1629 1 3 . 1 1 65 65 PRO CA C 65 63.460 63.460 63.491 -0.031 25150 1630 1 3 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.945 1.425 25150 1631 1 3 . 1 1 66 66 PHE N N 66 126.070 126.070 121.282 4.788 25150 1632 1 3 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.231 0.012 25150 1633 1 3 . 1 1 66 66 PHE C C 66 175.867 175.867 175.060 0.807 25150 1634 1 3 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.508 -0.428 25150 1635 1 3 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.374 -1.364 25150 1636 1 3 . 1 1 66 66 PHE H H 66 8.630 8.630 8.417 0.213 25150 1637 1 3 . 1 1 67 67 ASP N N 67 118.021 118.021 117.115 0.906 25150 1638 1 3 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.669 -0.710 25150 1639 1 3 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.252 -47.622 25150 1640 1 3 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.630 -7.790 25150 1641 1 3 . 1 1 67 67 ASP H H 67 7.126 7.126 8.324 -1.198 25150 1642 1 3 . 1 1 68 68 SER N N 68 120.730 120.730 115.750 4.980 25150 1643 1 3 . 1 1 68 68 SER CA C 68 55.750 55.750 55.685 0.065 25150 1644 1 3 . 1 1 68 68 SER CB C 68 61.900 61.900 62.455 -0.555 25150 1645 1 3 . 1 1 68 68 SER H H 68 8.091 8.091 7.970 0.121 25150 1646 1 3 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.288 0.068 25150 1647 1 3 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.151 -0.071 25150 1648 1 3 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.406 0.304 25150 1649 1 3 . 1 1 70 70 GLN N N 70 119.493 119.493 120.216 -0.723 25150 1650 1 3 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.014 0.056 25150 1651 1 3 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.799 1.691 25150 1652 1 3 . 1 1 70 70 GLN H H 70 8.049 8.049 8.119 -0.070 25150 1653 1 3 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.470 -0.070 25150 1654 1 3 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.950 -1.140 25150 1655 1 3 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.673 0.167 25150 1656 1 3 . 1 1 72 72 MET N N 72 120.767 120.767 122.324 -1.557 25150 1657 1 3 . 1 1 72 72 MET HA H 72 4.731 4.731 4.972 -0.241 25150 1658 1 3 . 1 1 72 72 MET C C 72 174.779 174.779 173.857 0.922 25150 1659 1 3 . 1 1 72 72 MET CA C 72 54.390 54.390 54.068 0.322 25150 1660 1 3 . 1 1 72 72 MET CB C 72 36.140 36.140 36.937 -0.797 25150 1661 1 3 . 1 1 72 72 MET H H 72 8.245 8.245 8.259 -0.014 25150 1662 1 3 . 1 1 73 73 PHE N N 73 120.458 120.458 118.616 1.842 25150 1663 1 3 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.579 -0.365 25150 1664 1 3 . 1 1 73 73 PHE C C 73 175.404 175.404 176.453 -1.049 25150 1665 1 3 . 1 1 73 73 PHE CA C 73 59.580 59.580 57.411 2.169 25150 1666 1 3 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.446 0.174 25150 1667 1 3 . 1 1 73 73 PHE H H 73 9.193 9.193 8.598 0.595 25150 1668 1 3 . 1 1 74 74 THR N N 74 113.842 113.842 115.112 -1.270 25150 1669 1 3 . 1 1 74 74 THR HA H 74 4.777 4.777 4.649 0.128 25150 1670 1 3 . 1 1 74 74 THR C C 74 173.551 173.551 173.598 -0.047 25150 1671 1 3 . 1 1 74 74 THR CA C 74 59.580 59.580 60.801 -1.221 25150 1672 1 3 . 1 1 74 74 THR CB C 74 71.300 71.300 71.086 0.214 25150 1673 1 3 . 1 1 74 74 THR H H 74 8.894 8.894 8.781 0.113 25150 1674 1 3 . 1 1 75 75 GLY N N 75 109.259 109.259 112.434 -3.175 25150 1675 1 3 . 1 1 75 75 GLY C C 75 173.980 173.980 173.533 0.447 25150 1676 1 3 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.709 0.001 25150 1677 1 3 . 1 1 75 75 GLY H H 75 8.058 8.058 7.765 0.293 25150 1678 1 3 . 1 1 76 76 GLU N N 76 116.661 116.661 117.668 -1.007 25150 1679 1 3 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.197 -0.056 25150 1680 1 3 . 1 1 76 76 GLU C C 76 176.624 176.624 175.707 0.917 25150 1681 1 3 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.278 0.762 25150 1682 1 3 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.858 1.052 25150 1683 1 3 . 1 1 76 76 GLU H H 76 8.356 8.356 8.471 -0.115 25150 1684 1 3 . 1 1 77 77 ASN N N 77 118.469 118.469 118.218 0.251 25150 1685 1 3 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.783 0.327 25150 1686 1 3 . 1 1 77 77 ASN C C 77 176.525 176.525 173.892 2.633 25150 1687 1 3 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.589 -0.349 25150 1688 1 3 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.384 0.326 25150 1689 1 3 . 1 1 77 77 ASN H H 77 8.614 8.614 8.121 0.493 25150 1690 1 3 . 1 1 78 78 ILE N N 78 117.605 117.605 125.394 -7.789 25150 1691 1 3 . 1 1 78 78 ILE CA C 78 59.390 59.390 57.187 2.203 25150 1692 1 3 . 1 1 78 78 ILE CB C 78 41.640 41.640 36.562 5.078 25150 1693 1 3 . 1 1 78 78 ILE H H 78 7.736 7.736 8.225 -0.489 25150 1694 1 3 . 1 1 79 79 PRO C C 79 176.134 176.134 176.279 -0.145 25150 1695 1 3 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.689 0.141 25150 1696 1 3 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.893 -0.733 25150 1697 1 3 . 1 1 80 80 VAL N N 80 123.378 123.378 123.184 0.194 25150 1698 1 3 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.659 0.171 25150 1699 1 3 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.414 -2.494 25150 1700 1 3 . 1 1 80 80 VAL H H 80 8.297 8.297 8.537 -0.240 25150 1701 1 3 . 1 1 82 82 PRO C C 82 176.169 176.169 176.704 -0.535 25150 1702 1 3 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.586 0.124 25150 1703 1 3 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.733 -0.063 25150 1704 1 3 . 1 1 83 83 HIS N N 83 121.199 121.199 114.191 7.008 25150 1705 1 3 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.845 -0.004 25150 1706 1 3 . 1 1 83 83 HIS C C 83 173.457 173.457 174.053 -0.596 25150 1707 1 3 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.612 -0.932 25150 1708 1 3 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.518 0.712 25150 1709 1 3 . 1 1 83 83 HIS H H 83 10.996 10.996 8.610 2.386 25150 1710 1 3 . 1 1 84 84 VAL N N 84 121.050 121.050 120.409 0.641 25150 1711 1 3 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.794 -0.017 25150 1712 1 3 . 1 1 84 84 VAL C C 84 175.155 175.155 175.000 0.155 25150 1713 1 3 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.865 0.235 25150 1714 1 3 . 1 1 84 84 VAL CB C 84 34.110 34.110 35.004 -0.894 25150 1715 1 3 . 1 1 84 84 VAL H H 84 8.058 8.058 7.632 0.426 25150 1716 1 3 . 1 1 85 85 TYR N N 85 126.195 126.195 123.896 2.299 25150 1717 1 3 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.796 -0.111 25150 1718 1 3 . 1 1 85 85 TYR C C 85 179.268 179.268 177.554 1.714 25150 1719 1 3 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.790 1.600 25150 1720 1 3 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.076 1.194 25150 1721 1 3 . 1 1 85 85 TYR H H 85 9.136 9.136 9.296 -0.160 25150 1722 1 3 . 1 1 86 86 SER N N 86 115.546 115.546 117.248 -1.702 25150 1723 1 3 . 1 1 86 86 SER HA H 86 3.935 3.935 4.249 -0.314 25150 1724 1 3 . 1 1 86 86 SER C C 86 174.309 174.309 174.750 -0.441 25150 1725 1 3 . 1 1 86 86 SER CA C 86 61.890 61.890 60.462 1.428 25150 1726 1 3 . 1 1 86 86 SER CB C 86 62.230 62.230 63.161 -0.931 25150 1727 1 3 . 1 1 86 86 SER H H 86 10.052 10.052 8.849 1.203 25150 1728 1 3 . 1 1 87 87 ASN N N 87 116.470 116.470 116.301 0.169 25150 1729 1 3 . 1 1 87 87 ASN C C 87 175.624 175.624 176.234 -0.610 25150 1730 1 3 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.333 0.007 25150 1731 1 3 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.462 0.028 25150 1732 1 3 . 1 1 87 87 ASN H H 87 7.331 7.331 8.041 -0.710 25150 1733 1 3 . 1 1 88 88 GLY N N 88 108.412 108.412 107.546 0.866 25150 1734 1 3 . 1 1 88 88 GLY C C 88 174.247 174.247 174.411 -0.164 25150 1735 1 3 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.102 0.808 25150 1736 1 3 . 1 1 88 88 GLY H H 88 8.737 8.737 8.327 0.410 25150 1737 1 3 . 1 1 89 89 HIS N N 89 119.508 119.508 124.517 -5.009 25150 1738 1 3 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.587 -1.287 25150 1739 1 3 . 1 1 89 89 HIS CB C 89 31.860 31.860 29.631 2.229 25150 1740 1 3 . 1 1 89 89 HIS H H 89 7.494 7.494 8.752 -1.258 25150 1741 1 3 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.113 0.301 25150 1742 1 3 . 1 1 90 90 ILE C C 90 174.510 174.510 174.949 -0.439 25150 1743 1 3 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.792 -2.472 25150 1744 1 3 . 1 1 90 90 ILE CB C 90 39.280 39.280 38.491 0.789 25150 1745 1 3 . 1 1 91 91 CYS N N 91 123.587 123.587 128.215 -4.628 25150 1746 1 3 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.991 5.589 25150 1747 1 3 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.263 7.127 25150 1748 1 3 . 1 1 91 91 CYS H H 91 7.304 7.304 8.573 -1.269 25150 1749 1 3 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.660 0.010 25150 1750 1 3 . 1 1 92 92 LEU C C 92 175.822 175.822 178.301 -2.479 25150 1751 1 3 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.544 5.916 25150 1752 1 3 . 1 1 92 92 LEU CB C 92 41.420 41.420 43.459 -2.039 25150 1753 1 3 . 1 1 93 93 SER N N 93 111.707 111.707 119.910 -8.203 25150 1754 1 3 . 1 1 93 93 SER HA H 93 4.331 4.331 4.242 0.089 25150 1755 1 3 . 1 1 93 93 SER C C 93 177.433 177.433 176.260 1.173 25150 1756 1 3 . 1 1 93 93 SER CA C 93 62.150 62.150 60.761 1.389 25150 1757 1 3 . 1 1 93 93 SER H H 93 9.037 9.037 8.814 0.223 25150 1758 1 3 . 1 1 94 94 ILE N N 94 118.993 118.993 115.427 3.566 25150 1759 1 3 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.949 169.589 25150 1760 1 3 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.279 1.031 25150 1761 1 3 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.402 0.498 25150 1762 1 3 . 1 1 94 94 ILE H H 94 7.859 7.859 8.046 -0.187 25150 1763 1 3 . 1 1 95 95 LEU N N 95 113.763 113.763 119.302 -5.539 25150 1764 1 3 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.334 0.318 25150 1765 1 3 . 1 1 95 95 LEU C C 95 178.458 178.458 177.668 0.790 25150 1766 1 3 . 1 1 95 95 LEU CA C 95 55.330 55.330 56.158 -0.828 25150 1767 1 3 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.724 0.356 25150 1768 1 3 . 1 1 95 95 LEU H H 95 7.351 7.351 7.904 -0.553 25150 1769 1 3 . 1 1 96 96 THR N N 96 109.929 109.929 113.131 -3.202 25150 1770 1 3 . 1 1 96 96 THR HA H 96 4.338 4.338 4.460 -0.122 25150 1771 1 3 . 1 1 96 96 THR C C 96 175.947 175.947 176.561 -0.614 25150 1772 1 3 . 1 1 96 96 THR CA C 96 60.960 60.960 62.798 -1.838 25150 1773 1 3 . 1 1 96 96 THR CB C 96 69.280 69.280 69.136 0.144 25150 1774 1 3 . 1 1 96 96 THR H H 96 7.794 7.794 7.864 -0.070 25150 1775 1 3 . 1 1 97 97 GLU N N 97 123.314 123.314 120.939 2.375 25150 1776 1 3 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.157 0.160 25150 1777 1 3 . 1 1 97 97 GLU C C 97 176.907 176.907 177.178 -0.271 25150 1778 1 3 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.817 -0.137 25150 1779 1 3 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.427 1.363 25150 1780 1 3 . 1 1 97 97 GLU H H 97 8.913 8.913 8.615 0.298 25150 1781 1 3 . 1 1 98 98 ASP N N 98 116.420 116.420 116.900 -0.480 25150 1782 1 3 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.847 0.343 25150 1783 1 3 . 1 1 98 98 ASP CB C 98 41.500 41.500 40.949 0.551 25150 1784 1 3 . 1 1 98 98 ASP H H 98 8.124 8.124 7.966 0.158 25150 1785 1 3 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.518 -0.098 25150 1786 1 3 . 1 1 99 99 TRP C C 99 176.495 176.495 175.065 1.430 25150 1787 1 3 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.589 0.841 25150 1788 1 3 . 1 1 99 99 TRP CB C 99 29.580 29.580 29.883 -0.303 25150 1789 1 3 . 1 1 100 100 SER N N 100 120.993 120.993 121.875 -0.882 25150 1790 1 3 . 1 1 100 100 SER CA C 100 55.370 55.370 53.977 1.393 25150 1791 1 3 . 1 1 100 100 SER CB C 100 64.860 64.860 64.255 0.605 25150 1792 1 3 . 1 1 100 100 SER H H 100 5.703 5.703 7.238 -1.535 25150 1793 1 3 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.258 -0.065 25150 1794 1 3 . 1 1 101 101 PRO C C 101 175.227 175.227 176.240 -1.013 25150 1795 1 3 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.347 -0.648 25150 1796 1 3 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.724 -0.304 25150 1797 1 3 . 1 1 102 102 ALA N N 102 118.668 118.668 117.821 0.847 25150 1798 1 3 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.166 -0.072 25150 1799 1 3 . 1 1 102 102 ALA C C 102 178.797 178.797 178.180 0.617 25150 1800 1 3 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.281 0.549 25150 1801 1 3 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.066 -0.056 25150 1802 1 3 . 1 1 102 102 ALA H H 102 7.290 7.290 7.148 0.142 25150 1803 1 3 . 1 1 103 103 LEU N N 103 119.365 119.365 120.222 -0.857 25150 1804 1 3 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.641 -0.431 25150 1805 1 3 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.303 -0.593 25150 1806 1 3 . 1 1 103 103 LEU H H 103 7.263 7.263 7.421 -0.158 25150 1807 1 3 . 1 1 104 104 SER HA H 104 4.381 4.381 5.117 -0.737 25150 1808 1 3 . 1 1 104 104 SER C C 104 175.278 175.278 175.418 -0.140 25150 1809 1 3 . 1 1 104 104 SER CA C 104 56.500 56.500 56.662 -0.162 25150 1810 1 3 . 1 1 104 104 SER CB C 104 66.770 66.770 66.037 0.733 25150 1811 1 3 . 1 1 105 105 VAL N N 105 123.025 123.025 122.592 0.433 25150 1812 1 3 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.743 -0.131 25150 1813 1 3 . 1 1 105 105 VAL C C 105 179.053 179.053 176.868 2.185 25150 1814 1 3 . 1 1 105 105 VAL CA C 105 68.070 68.070 65.983 2.087 25150 1815 1 3 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.776 -0.156 25150 1816 1 3 . 1 1 105 105 VAL H H 105 9.841 9.841 9.094 0.747 25150 1817 1 3 . 1 1 106 106 GLN N N 106 121.218 121.218 119.605 1.613 25150 1818 1 3 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.962 -0.107 25150 1819 1 3 . 1 1 106 106 GLN C C 106 177.698 177.698 178.114 -0.416 25150 1820 1 3 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.223 1.907 25150 1821 1 3 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.393 -0.164 25150 1822 1 3 . 1 1 106 106 GLN H H 106 9.109 9.109 8.623 0.486 25150 1823 1 3 . 1 1 107 107 SER N N 107 115.531 115.531 116.682 -1.151 25150 1824 1 3 . 1 1 107 107 SER C C 107 177.828 177.828 176.921 0.907 25150 1825 1 3 . 1 1 107 107 SER CA C 107 62.500 62.500 62.230 0.270 25150 1826 1 3 . 1 1 107 107 SER CB C 107 62.670 62.670 62.846 -0.176 25150 1827 1 3 . 1 1 107 107 SER H H 107 8.209 8.209 8.115 0.094 25150 1828 1 3 . 1 1 108 108 VAL N N 108 123.756 123.756 122.304 1.452 25150 1829 1 3 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.763 -0.102 25150 1830 1 3 . 1 1 108 108 VAL C C 108 178.087 178.087 178.036 0.051 25150 1831 1 3 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.744 0.226 25150 1832 1 3 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.761 -0.051 25150 1833 1 3 . 1 1 108 108 VAL H H 108 8.256 8.256 8.107 0.149 25150 1834 1 3 . 1 1 109 109 CYS N N 109 118.175 118.175 117.729 0.446 25150 1835 1 3 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.211 -0.276 25150 1836 1 3 . 1 1 109 109 CYS C C 109 176.918 176.918 176.801 0.117 25150 1837 1 3 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.317 1.573 25150 1838 1 3 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.811 0.989 25150 1839 1 3 . 1 1 109 109 CYS H H 109 8.781 8.781 8.411 0.370 25150 1840 1 3 . 1 1 110 110 LEU N N 110 118.491 118.491 122.360 -3.869 25150 1841 1 3 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.044 0.066 25150 1842 1 3 . 1 1 110 110 LEU C C 110 180.150 180.150 177.967 2.183 25150 1843 1 3 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.149 0.331 25150 1844 1 3 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.568 -0.558 25150 1845 1 3 . 1 1 110 110 LEU H H 110 8.543 8.543 8.647 -0.104 25150 1846 1 3 . 1 1 111 111 SER N N 111 117.917 117.917 116.219 1.698 25150 1847 1 3 . 1 1 111 111 SER C C 111 177.009 177.009 176.924 0.085 25150 1848 1 3 . 1 1 111 111 SER CA C 111 63.050 63.050 62.769 0.281 25150 1849 1 3 . 1 1 111 111 SER CB C 111 62.980 62.980 62.715 0.265 25150 1850 1 3 . 1 1 111 111 SER H H 111 8.181 8.181 8.015 0.166 25150 1851 1 3 . 1 1 112 112 ILE N N 112 124.764 124.764 122.881 1.883 25150 1852 1 3 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.567 0.106 25150 1853 1 3 . 1 1 112 112 ILE C C 112 177.441 177.441 177.635 -0.194 25150 1854 1 3 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.606 -0.176 25150 1855 1 3 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.729 0.221 25150 1856 1 3 . 1 1 112 112 ILE H H 112 8.249 8.249 7.900 0.349 25150 1857 1 3 . 1 1 113 113 ILE N N 113 121.123 121.123 121.119 0.004 25150 1858 1 3 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.514 0.082 25150 1859 1 3 . 1 1 113 113 ILE C C 113 179.525 179.525 178.326 1.199 25150 1860 1 3 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.944 0.316 25150 1861 1 3 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.594 1.186 25150 1862 1 3 . 1 1 113 113 ILE H H 113 8.415 8.415 8.169 0.246 25150 1863 1 3 . 1 1 114 114 SER N N 114 115.247 115.247 115.910 -0.663 25150 1864 1 3 . 1 1 114 114 SER HA H 114 4.300 4.300 4.220 0.080 25150 1865 1 3 . 1 1 114 114 SER C C 114 176.915 176.915 176.729 0.186 25150 1866 1 3 . 1 1 114 114 SER CA C 114 61.510 61.510 62.071 -0.561 25150 1867 1 3 . 1 1 114 114 SER CB C 114 62.990 62.990 63.095 -0.105 25150 1868 1 3 . 1 1 114 114 SER H H 114 8.241 8.241 8.405 -0.164 25150 1869 1 3 . 1 1 115 115 MET N N 115 122.921 122.921 123.604 -0.683 25150 1870 1 3 . 1 1 115 115 MET C C 115 179.552 179.552 178.437 1.115 25150 1871 1 3 . 1 1 115 115 MET CA C 115 59.030 59.030 59.440 -0.410 25150 1872 1 3 . 1 1 115 115 MET CB C 115 33.040 33.040 32.429 0.611 25150 1873 1 3 . 1 1 115 115 MET H H 115 8.216 8.216 8.191 0.025 25150 1874 1 3 . 1 1 116 116 LEU N N 116 120.553 120.553 118.592 1.961 25150 1875 1 3 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.095 -0.018 25150 1876 1 3 . 1 1 116 116 LEU C C 116 179.264 179.264 180.012 -0.748 25150 1877 1 3 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.487 1.283 25150 1878 1 3 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.813 -1.183 25150 1879 1 3 . 1 1 116 116 LEU H H 116 7.981 7.981 8.378 -0.397 25150 1880 1 3 . 1 1 117 117 SER N N 117 114.100 114.100 113.279 0.821 25150 1881 1 3 . 1 1 117 117 SER HA H 117 4.342 4.342 4.482 -0.140 25150 1882 1 3 . 1 1 117 117 SER C C 117 175.042 175.042 175.602 -0.560 25150 1883 1 3 . 1 1 117 117 SER CA C 117 61.700 61.700 60.582 1.118 25150 1884 1 3 . 1 1 117 117 SER CB C 117 63.120 63.120 64.058 -0.938 25150 1885 1 3 . 1 1 117 117 SER H H 117 8.467 8.467 8.507 -0.040 25150 1886 1 3 . 1 1 118 118 SER N N 118 113.628 113.628 115.746 -2.118 25150 1887 1 3 . 1 1 118 118 SER HA H 118 4.485 4.485 4.664 -0.179 25150 1888 1 3 . 1 1 118 118 SER C C 118 174.142 174.142 174.640 -0.498 25150 1889 1 3 . 1 1 118 118 SER CA C 118 59.000 59.000 56.989 2.010 25150 1890 1 3 . 1 1 118 118 SER CB C 118 64.040 64.040 63.468 0.573 25150 1891 1 3 . 1 1 118 118 SER H H 118 8.037 8.037 8.207 -0.170 25150 1892 1 3 . 1 1 119 119 CYS N N 119 122.293 122.293 123.064 -0.771 25150 1893 1 3 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.535 -1.345 25150 1894 1 3 . 1 1 119 119 CYS CB C 119 28.270 28.270 26.701 1.569 25150 1895 1 3 . 1 1 119 119 CYS H H 119 7.250 7.250 7.971 -0.721 25150 1896 1 3 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.625 -0.085 25150 1897 1 3 . 1 1 120 120 LYS C C 120 176.345 176.345 175.174 1.171 25150 1898 1 3 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.305 9.745 25150 1899 1 3 . 1 1 120 120 LYS CB C 120 33.550 33.550 35.284 -1.734 25150 1900 1 3 . 1 1 121 121 GLU N N 121 120.936 120.936 122.699 -1.763 25150 1901 1 3 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.638 -0.409 25150 1902 1 3 . 1 1 121 121 GLU C C 121 174.053 174.053 175.309 -1.256 25150 1903 1 3 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.047 0.142 25150 1904 1 3 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.110 2.579 25150 1905 1 3 . 1 1 121 121 GLU H H 121 7.700 7.700 8.585 -0.885 25150 1906 1 3 . 1 1 122 122 LYS N N 122 127.472 127.472 119.876 7.596 25150 1907 1 3 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.548 -0.686 25150 1908 1 3 . 1 1 122 122 LYS C C 122 174.440 174.440 176.212 -1.772 25150 1909 1 3 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.276 2.004 25150 1910 1 3 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.408 -0.998 25150 1911 1 3 . 1 1 122 122 LYS H H 122 8.890 8.890 8.276 0.614 25150 1912 1 3 . 1 1 123 123 ARG N N 123 123.268 123.268 120.307 2.961 25150 1913 1 3 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.615 -0.345 25150 1914 1 3 . 1 1 123 123 ARG C C 123 172.653 172.653 174.588 -1.935 25150 1915 1 3 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.300 -0.720 25150 1916 1 3 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.134 1.096 25150 1917 1 3 . 1 1 123 123 ARG H H 123 6.841 6.841 8.453 -1.612 25150 1918 1 3 . 1 1 124 124 ARG N N 124 116.787 116.787 120.543 -3.756 25150 1919 1 3 . 1 1 124 124 ARG CA C 124 54.710 54.710 53.590 1.120 25150 1920 1 3 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.733 -1.653 25150 1921 1 3 . 1 1 124 124 ARG H H 124 8.044 8.044 8.723 -0.679 25150 1922 1 3 . 1 1 126 126 PRO CA C 126 64.800 64.800 66.071 -1.271 25150 1923 1 3 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.184 0.596 25150 1924 1 3 . 1 1 127 127 ASP N N 127 115.165 115.165 117.706 -2.541 25150 1925 1 3 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.765 0.359 25150 1926 1 3 . 1 1 127 127 ASP C C 127 172.871 172.871 178.693 -5.822 25150 1927 1 3 . 1 1 127 127 ASP CA C 127 52.670 52.670 56.700 -4.030 25150 1928 1 3 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.543 -1.403 25150 1929 1 3 . 1 1 127 127 ASP H H 127 8.711 8.711 8.214 0.497 25150 1930 1 3 . 1 1 128 128 ASN N N 128 127.858 127.858 120.041 7.817 25150 1931 1 3 . 1 1 128 128 ASN CA C 128 56.480 56.480 56.055 0.425 25150 1932 1 3 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.061 0.499 25150 1933 1 3 . 1 1 128 128 ASN H H 128 8.502 8.502 8.551 -0.049 25150 1934 1 3 . 1 1 129 129 SER C C 129 176.346 176.346 176.256 0.090 25150 1935 1 3 . 1 1 129 129 SER CA C 129 62.330 62.330 62.162 0.168 25150 1936 1 3 . 1 1 130 130 PHE N N 130 121.897 121.897 123.382 -1.485 25150 1937 1 3 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.148 -0.028 25150 1938 1 3 . 1 1 130 130 PHE C C 130 177.740 177.740 177.191 0.549 25150 1939 1 3 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.318 -0.358 25150 1940 1 3 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.122 0.638 25150 1941 1 3 . 1 1 130 130 PHE H H 130 8.022 8.022 7.931 0.091 25150 1942 1 3 . 1 1 131 131 TYR N N 131 122.173 122.173 120.771 1.402 25150 1943 1 3 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.044 -0.298 25150 1944 1 3 . 1 1 131 131 TYR C C 131 178.140 178.140 178.270 -0.130 25150 1945 1 3 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.544 0.746 25150 1946 1 3 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.536 1.004 25150 1947 1 3 . 1 1 131 131 TYR H H 131 8.871 8.871 8.555 0.316 25150 1948 1 3 . 1 1 132 132 VAL N N 132 116.993 116.993 119.667 -2.674 25150 1949 1 3 . 1 1 132 132 VAL C C 132 178.082 178.082 178.444 -0.362 25150 1950 1 3 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.023 0.307 25150 1951 1 3 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.603 -0.153 25150 1952 1 3 . 1 1 132 132 VAL H H 132 8.551 8.551 8.308 0.243 25150 1953 1 3 . 1 1 133 133 ARG N N 133 118.860 118.860 117.819 1.041 25150 1954 1 3 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.283 0.697 25150 1955 1 3 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.216 0.034 25150 1956 1 3 . 1 1 133 133 ARG H H 133 7.545 7.545 8.041 -0.496 25150 1957 1 3 . 1 1 134 134 THR CA C 134 62.280 62.280 61.281 0.999 25150 1958 1 3 . 1 1 134 134 THR CB C 134 69.790 69.790 69.513 0.277 25150 1959 1 3 . 1 1 135 135 CYS N N 135 125.959 125.959 124.018 1.941 25150 1960 1 3 . 1 1 135 135 CYS CA C 135 59.760 59.760 58.927 0.833 25150 1961 1 3 . 1 1 135 135 CYS CB C 135 39.010 39.010 25.112 13.898 25150 1962 1 3 . 1 1 135 135 CYS H H 135 7.881 7.881 7.748 0.133 25150 1963 1 3 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.577 -0.567 25150 1964 1 3 . 1 1 136 136 ASN C C 136 177.768 177.768 175.951 1.817 25150 1965 1 3 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.595 -0.435 25150 1966 1 3 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.176 0.294 25150 1967 1 3 . 1 1 137 137 LYS N N 137 119.224 119.224 117.076 2.148 25150 1968 1 3 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.421 -0.225 25150 1969 1 3 . 1 1 137 137 LYS C C 137 176.185 176.185 175.931 0.254 25150 1970 1 3 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.029 0.951 25150 1971 1 3 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.411 0.459 25150 1972 1 3 . 1 1 137 137 LYS H H 137 7.678 7.678 7.955 -0.277 25150 1973 1 3 . 1 1 138 138 ASN N N 138 117.174 117.174 120.193 -3.019 25150 1974 1 3 . 1 1 138 138 ASN CA C 138 51.530 51.530 50.376 1.154 25150 1975 1 3 . 1 1 138 138 ASN CB C 138 38.940 38.940 39.012 -0.072 25150 1976 1 3 . 1 1 138 138 ASN H H 138 7.969 7.969 7.560 0.409 25150 1977 1 3 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.688 -0.290 25150 1978 1 3 . 1 1 139 139 PRO C C 139 177.335 177.335 177.029 0.306 25150 1979 1 3 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.518 1.332 25150 1980 1 3 . 1 1 139 139 PRO CB C 139 32.110 32.110 33.062 -0.952 25150 1981 1 3 . 1 1 140 140 LYS N N 140 118.218 118.218 120.492 -2.274 25150 1982 1 3 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.159 28.491 25150 1983 1 3 . 1 1 140 140 LYS C C 140 176.564 176.564 177.802 -1.238 25150 1984 1 3 . 1 1 140 140 LYS CA C 140 56.990 56.990 58.100 -1.110 25150 1985 1 3 . 1 1 140 140 LYS H H 140 8.108 8.108 8.522 -0.414 25150 1986 1 3 . 1 1 141 141 LYS N N 141 119.276 119.276 121.205 -1.929 25150 1987 1 3 . 1 1 141 141 LYS C C 141 177.924 177.924 175.426 2.498 25150 1988 1 3 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.579 0.521 25150 1989 1 3 . 1 1 141 141 LYS CB C 141 29.780 29.780 31.692 -1.912 25150 1990 1 3 . 1 1 141 141 LYS H H 141 8.135 8.135 7.898 0.237 25150 1991 1 3 . 1 1 142 142 THR N N 142 115.380 115.380 120.278 -4.898 25150 1992 1 3 . 1 1 142 142 THR CA C 142 61.850 61.850 62.698 -0.848 25150 1993 1 3 . 1 1 142 142 THR CB C 142 69.660 69.660 69.203 0.457 25150 1994 1 3 . 1 1 142 142 THR H H 142 8.030 8.030 8.131 -0.101 25150 1995 1 3 . 1 1 143 143 LYS C C 143 178.955 178.955 175.455 3.500 25150 1996 1 3 . 1 1 144 144 TRP N N 144 120.470 120.470 121.558 -1.088 25150 1997 1 3 . 1 1 144 144 TRP C C 144 176.557 176.557 175.229 1.328 25150 1998 1 3 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.323 0.547 25150 1999 1 3 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.699 3.301 25150 2000 1 3 . 1 1 144 144 TRP H H 144 8.094 8.094 7.567 0.527 25150 2001 1 3 . 1 1 145 145 TRP N N 145 120.330 120.330 126.485 -6.155 25150 2002 1 3 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.623 1.497 25150 2003 1 3 . 1 1 145 145 TRP CB C 145 32.850 32.850 31.908 0.942 25150 2004 1 3 . 1 1 145 145 TRP H H 145 8.488 8.488 7.853 0.635 25150 2005 1 3 . 1 1 146 146 TYR C C 146 174.706 174.706 173.792 0.914 25150 2006 1 3 . 1 1 146 146 TYR CA C 146 57.430 57.430 55.955 1.475 25150 2007 1 3 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.102 0.638 25150 2008 1 3 . 1 1 147 147 HIS N N 147 121.604 121.604 118.848 2.756 25150 2009 1 3 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.513 -0.327 25150 2010 1 3 . 1 1 147 147 HIS C C 147 176.874 176.874 174.916 1.958 25150 2011 1 3 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.049 1.191 25150 2012 1 3 . 1 1 147 147 HIS CB C 147 31.200 31.200 31.149 0.051 25150 2013 1 3 . 1 1 147 147 HIS H H 147 7.886 7.886 7.561 0.325 25150 2014 1 3 . 1 1 148 148 ASP N N 148 122.629 122.629 122.149 0.480 25150 2015 1 3 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.527 0.017 25150 2016 1 3 . 1 1 148 148 ASP C C 148 175.661 175.661 176.361 -0.700 25150 2017 1 3 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.858 0.322 25150 2018 1 3 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.465 0.215 25150 2019 1 3 . 1 1 148 148 ASP H H 148 8.109 8.109 8.300 -0.191 25150 2020 1 3 . 1 1 149 149 ASP N N 149 121.321 121.321 121.570 -0.249 25150 2021 1 3 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.603 0.051 25150 2022 1 3 . 1 1 149 149 ASP C C 149 176.551 176.551 175.994 0.557 25150 2023 1 3 . 1 1 149 149 ASP CA C 149 54.610 54.610 53.758 0.852 25150 2024 1 3 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.764 0.596 25150 2025 1 3 . 1 1 149 149 ASP H H 149 8.395 8.395 8.415 -0.020 25150 2026 1 3 . 1 1 150 150 THR N N 150 113.450 113.450 116.544 -3.094 25150 2027 1 3 . 1 1 150 150 THR HA H 150 4.296 4.296 4.415 -0.119 25150 2028 1 3 . 1 1 150 150 THR C C 150 173.994 173.994 175.256 -1.262 25150 2029 1 3 . 1 1 150 150 THR CA C 150 62.310 62.310 61.246 1.063 25150 2030 1 3 . 1 1 150 150 THR CB C 150 69.870 69.870 68.389 1.481 25150 2031 1 3 . 1 1 150 150 THR H H 150 8.259 8.259 8.266 -0.007 25150 2032 1 4 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.045 0.249 25150 2033 1 4 . 1 1 6 6 LYS C C 6 176.970 176.970 179.033 -2.063 25150 2034 1 4 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.964 -1.594 25150 2035 1 4 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.348 0.132 25150 2036 1 4 . 1 1 7 7 ARG N N 7 119.704 119.704 119.919 -0.215 25150 2037 1 4 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.117 0.081 25150 2038 1 4 . 1 1 7 7 ARG C C 7 178.270 178.270 178.306 -0.036 25150 2039 1 4 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.406 0.624 25150 2040 1 4 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.570 -1.010 25150 2041 1 4 . 1 1 7 7 ARG H H 7 8.599 8.599 8.003 0.596 25150 2042 1 4 . 1 1 8 8 LEU N N 8 119.704 119.704 120.952 -1.248 25150 2043 1 4 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.510 0.580 25150 2044 1 4 . 1 1 8 8 LEU C C 8 178.980 178.980 178.527 0.453 25150 2045 1 4 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.151 0.139 25150 2046 1 4 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.268 0.792 25150 2047 1 4 . 1 1 8 8 LEU H H 8 8.599 8.599 8.401 0.198 25150 2048 1 4 . 1 1 9 9 GLN N N 9 117.512 117.512 118.172 -0.660 25150 2049 1 4 . 1 1 9 9 GLN HA H 9 4.037 4.037 4.046 -0.009 25150 2050 1 4 . 1 1 9 9 GLN C C 9 178.610 178.610 178.305 0.305 25150 2051 1 4 . 1 1 9 9 GLN CA C 9 59.310 59.310 58.668 0.642 25150 2052 1 4 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.424 0.056 25150 2053 1 4 . 1 1 9 9 GLN H H 9 8.066 8.066 8.435 -0.369 25150 2054 1 4 . 1 1 10 10 LYS N N 10 119.556 119.556 119.925 -0.369 25150 2055 1 4 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.979 0.101 25150 2056 1 4 . 1 1 10 10 LYS C C 10 180.040 180.040 179.345 0.695 25150 2057 1 4 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.931 -0.251 25150 2058 1 4 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.254 0.206 25150 2059 1 4 . 1 1 10 10 LYS H H 10 7.678 7.678 8.175 -0.497 25150 2060 1 4 . 1 1 11 11 GLU N N 11 120.347 120.347 119.547 0.800 25150 2061 1 4 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.198 -0.022 25150 2062 1 4 . 1 1 11 11 GLU C C 11 178.770 178.770 179.083 -0.313 25150 2063 1 4 . 1 1 11 11 GLU CA C 11 61.040 61.040 58.975 2.065 25150 2064 1 4 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.520 1.140 25150 2065 1 4 . 1 1 11 11 GLU H H 11 8.533 8.533 8.297 0.236 25150 2066 1 4 . 1 1 12 12 LEU N N 12 123.285 123.285 122.208 1.077 25150 2067 1 4 . 1 1 12 12 LEU C C 12 178.570 178.570 178.671 -0.101 25150 2068 1 4 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.966 0.154 25150 2069 1 4 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.786 -0.706 25150 2070 1 4 . 1 1 12 12 LEU H H 12 8.685 8.685 8.154 0.531 25150 2071 1 4 . 1 1 13 13 LEU N N 13 118.881 118.881 118.563 0.318 25150 2072 1 4 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.168 -0.171 25150 2073 1 4 . 1 1 13 13 LEU C C 13 179.260 179.260 179.099 0.161 25150 2074 1 4 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.839 0.062 25150 2075 1 4 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.356 0.534 25150 2076 1 4 . 1 1 13 13 LEU H H 13 7.588 7.588 8.384 -0.796 25150 2077 1 4 . 1 1 14 14 ALA N N 14 120.667 120.667 122.410 -1.743 25150 2078 1 4 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.019 0.171 25150 2079 1 4 . 1 1 14 14 ALA C C 14 176.270 176.270 179.761 -3.491 25150 2080 1 4 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.180 0.010 25150 2081 1 4 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.195 -0.164 25150 2082 1 4 . 1 1 14 14 ALA H H 14 7.617 7.617 8.052 -0.435 25150 2083 1 4 . 1 1 15 15 LEU N N 15 119.965 119.965 118.774 1.191 25150 2084 1 4 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.372 0.078 25150 2085 1 4 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.590 0.670 25150 2086 1 4 . 1 1 15 15 LEU H H 15 7.726 7.726 8.116 -0.390 25150 2087 1 4 . 1 1 16 16 GLN N N 16 115.381 115.381 118.063 -2.682 25150 2088 1 4 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.976 0.002 25150 2089 1 4 . 1 1 16 16 GLN C C 16 177.950 177.950 178.193 -0.243 25150 2090 1 4 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.458 0.002 25150 2091 1 4 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.574 1.216 25150 2092 1 4 . 1 1 16 16 GLN H H 16 8.028 8.028 8.066 -0.038 25150 2093 1 4 . 1 1 17 17 ASN N N 17 114.975 114.975 116.521 -1.546 25150 2094 1 4 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.644 -0.014 25150 2095 1 4 . 1 1 17 17 ASN C C 17 175.303 175.303 175.023 0.280 25150 2096 1 4 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.873 0.007 25150 2097 1 4 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.144 0.706 25150 2098 1 4 . 1 1 17 17 ASN H H 17 8.136 8.136 7.947 0.189 25150 2099 1 4 . 1 1 18 18 ASP N N 18 119.698 119.698 118.701 0.997 25150 2100 1 4 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.493 0.967 25150 2101 1 4 . 1 1 18 18 ASP CB C 18 41.510 41.510 41.993 -0.484 25150 2102 1 4 . 1 1 18 18 ASP H H 18 8.218 8.218 7.862 0.356 25150 2103 1 4 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.288 0.027 25150 2104 1 4 . 1 1 21 21 PRO C C 21 177.867 177.867 177.639 0.228 25150 2105 1 4 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.234 -0.414 25150 2106 1 4 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.762 -0.192 25150 2107 1 4 . 1 1 22 22 GLY N N 22 111.293 111.293 111.354 -0.061 25150 2108 1 4 . 1 1 22 22 GLY C C 22 174.342 174.342 174.208 0.134 25150 2109 1 4 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.308 0.682 25150 2110 1 4 . 1 1 22 22 GLY H H 22 8.506 8.506 8.556 -0.050 25150 2111 1 4 . 1 1 23 23 MET N N 23 118.966 118.966 120.032 -1.066 25150 2112 1 4 . 1 1 23 23 MET HA H 23 5.699 5.699 5.584 0.115 25150 2113 1 4 . 1 1 23 23 MET C C 23 175.386 175.386 176.023 -0.637 25150 2114 1 4 . 1 1 23 23 MET CA C 23 55.270 55.270 53.236 2.034 25150 2115 1 4 . 1 1 23 23 MET CB C 23 35.890 35.890 34.193 1.698 25150 2116 1 4 . 1 1 23 23 MET H H 23 8.017 8.017 7.892 0.125 25150 2117 1 4 . 1 1 24 24 THR N N 24 112.647 112.647 120.716 -8.069 25150 2118 1 4 . 1 1 24 24 THR HA H 24 4.596 4.596 4.641 -0.045 25150 2119 1 4 . 1 1 24 24 THR C C 24 173.407 173.407 172.784 0.623 25150 2120 1 4 . 1 1 24 24 THR CA C 24 60.850 60.850 61.998 -1.148 25150 2121 1 4 . 1 1 24 24 THR CB C 24 72.360 72.360 70.550 1.810 25150 2122 1 4 . 1 1 24 24 THR H H 24 8.565 8.565 8.905 -0.340 25150 2123 1 4 . 1 1 25 25 LEU N N 25 126.920 126.920 127.225 -0.305 25150 2124 1 4 . 1 1 25 25 LEU HA H 25 4.296 4.296 5.144 -0.848 25150 2125 1 4 . 1 1 25 25 LEU C C 25 175.624 175.624 175.948 -0.324 25150 2126 1 4 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.850 2.320 25150 2127 1 4 . 1 1 25 25 LEU CB C 25 42.710 42.710 44.629 -1.919 25150 2128 1 4 . 1 1 25 25 LEU H H 25 9.189 9.189 8.500 0.689 25150 2129 1 4 . 1 1 26 26 ASN N N 26 127.108 127.108 121.422 5.686 25150 2130 1 4 . 1 1 26 26 ASN C C 26 173.783 173.783 173.872 -0.089 25150 2131 1 4 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.164 1.936 25150 2132 1 4 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.914 -0.544 25150 2133 1 4 . 1 1 26 26 ASN H H 26 9.000 9.000 8.907 0.093 25150 2134 1 4 . 1 1 27 27 GLU N N 27 108.990 108.990 126.234 -17.244 25150 2135 1 4 . 1 1 27 27 GLU CA C 27 56.610 56.610 57.436 -0.826 25150 2136 1 4 . 1 1 27 27 GLU H H 27 7.631 7.631 8.437 -0.806 25150 2137 1 4 . 1 1 30 30 VAL C C 30 177.011 177.011 177.041 -0.030 25150 2138 1 4 . 1 1 30 30 VAL CA C 30 55.230 55.230 59.950 -4.720 25150 2139 1 4 . 1 1 30 30 VAL CB C 30 30.860 30.860 34.622 -3.762 25150 2140 1 4 . 1 1 31 31 GLN N N 31 125.960 125.960 121.306 4.654 25150 2141 1 4 . 1 1 31 31 GLN CA C 31 58.430 58.430 57.924 0.506 25150 2142 1 4 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.569 0.561 25150 2143 1 4 . 1 1 31 31 GLN H H 31 7.880 7.880 8.804 -0.924 25150 2144 1 4 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.258 0.402 25150 2145 1 4 . 1 1 34 34 ILE C C 34 178.642 178.642 177.552 1.090 25150 2146 1 4 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.831 -5.861 25150 2147 1 4 . 1 1 34 34 ILE CB C 34 42.000 42.000 39.291 2.709 25150 2148 1 4 . 1 1 35 35 THR N N 35 110.980 110.980 121.533 -10.553 25150 2149 1 4 . 1 1 35 35 THR CA C 35 61.070 61.070 62.369 -1.299 25150 2150 1 4 . 1 1 35 35 THR CB C 35 69.090 69.090 67.448 1.642 25150 2151 1 4 . 1 1 35 35 THR H H 35 7.825 7.825 8.895 -1.070 25150 2152 1 4 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.561 1.063 25150 2153 1 4 . 1 1 36 36 GLN C C 36 174.178 174.178 174.923 -0.745 25150 2154 1 4 . 1 1 36 36 GLN CA C 36 55.090 55.090 55.079 0.011 25150 2155 1 4 . 1 1 36 36 GLN CB C 36 32.290 32.290 31.662 0.628 25150 2156 1 4 . 1 1 37 37 TRP N N 37 123.942 123.942 122.938 1.004 25150 2157 1 4 . 1 1 37 37 TRP HA H 37 5.576 5.576 4.995 0.581 25150 2158 1 4 . 1 1 37 37 TRP C C 37 174.959 174.959 175.917 -0.958 25150 2159 1 4 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.419 -0.789 25150 2160 1 4 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.683 1.267 25150 2161 1 4 . 1 1 37 37 TRP H H 37 9.242 9.242 8.997 0.245 25150 2162 1 4 . 1 1 38 38 ILE N N 38 121.559 121.559 123.664 -2.105 25150 2163 1 4 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.301 0.978 25150 2164 1 4 . 1 1 38 38 ILE CA C 38 59.430 59.430 61.727 -2.297 25150 2165 1 4 . 1 1 38 38 ILE CB C 38 39.240 39.240 38.094 1.146 25150 2166 1 4 . 1 1 38 38 ILE H H 38 8.778 8.778 8.981 -0.203 25150 2167 1 4 . 1 1 39 39 VAL N N 39 128.719 128.719 128.815 -0.096 25150 2168 1 4 . 1 1 39 39 VAL HA H 39 4.581 4.581 5.000 -0.419 25150 2169 1 4 . 1 1 39 39 VAL C C 39 175.175 175.175 174.768 0.407 25150 2170 1 4 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.339 0.911 25150 2171 1 4 . 1 1 39 39 VAL CB C 39 35.850 35.850 35.057 0.793 25150 2172 1 4 . 1 1 39 39 VAL H H 39 9.533 9.533 8.927 0.606 25150 2173 1 4 . 1 1 40 40 ASP N N 40 128.451 128.451 127.737 0.714 25150 2174 1 4 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.471 -0.253 25150 2175 1 4 . 1 1 40 40 ASP C C 40 175.157 175.157 174.890 0.267 25150 2176 1 4 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.421 1.889 25150 2177 1 4 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.017 -0.518 25150 2178 1 4 . 1 1 40 40 ASP H H 40 9.165 9.165 9.059 0.106 25150 2179 1 4 . 1 1 41 41 MET N N 41 120.544 120.544 124.962 -4.418 25150 2180 1 4 . 1 1 41 41 MET HA H 41 5.467 5.467 5.042 0.425 25150 2181 1 4 . 1 1 41 41 MET C C 41 173.590 173.590 174.524 -0.934 25150 2182 1 4 . 1 1 41 41 MET CA C 41 54.610 54.610 54.397 0.213 25150 2183 1 4 . 1 1 41 41 MET CB C 41 37.490 37.490 36.030 1.460 25150 2184 1 4 . 1 1 41 41 MET H H 41 8.756 8.756 8.969 -0.213 25150 2185 1 4 . 1 1 42 42 GLU N N 42 125.740 125.740 128.824 -3.084 25150 2186 1 4 . 1 1 42 42 GLU HA H 42 5.010 5.010 4.985 0.025 25150 2187 1 4 . 1 1 42 42 GLU C C 42 177.323 177.323 176.900 0.423 25150 2188 1 4 . 1 1 42 42 GLU CA C 42 54.480 54.480 55.010 -0.530 25150 2189 1 4 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.399 -0.139 25150 2190 1 4 . 1 1 42 42 GLU H H 42 8.706 8.706 8.699 0.007 25150 2191 1 4 . 1 1 43 43 GLY N N 43 111.314 111.314 113.071 -1.757 25150 2192 1 4 . 1 1 43 43 GLY C C 43 174.121 174.121 173.328 0.793 25150 2193 1 4 . 1 1 43 43 GLY CA C 43 45.390 45.390 44.683 0.707 25150 2194 1 4 . 1 1 43 43 GLY H H 43 8.917 8.917 8.614 0.303 25150 2195 1 4 . 1 1 44 44 ALA N N 44 128.665 128.665 124.827 3.838 25150 2196 1 4 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.207 0.853 25150 2197 1 4 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.589 -0.119 25150 2198 1 4 . 1 1 44 44 ALA H H 44 8.918 8.918 8.589 0.329 25150 2199 1 4 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.108 0.192 25150 2200 1 4 . 1 1 45 45 PRO C C 45 177.598 177.598 177.373 0.225 25150 2201 1 4 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.732 -1.322 25150 2202 1 4 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.066 0.725 25150 2203 1 4 . 1 1 46 46 GLY N N 46 111.319 111.319 113.537 -2.218 25150 2204 1 4 . 1 1 46 46 GLY C C 46 174.290 174.290 174.476 -0.186 25150 2205 1 4 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.177 0.733 25150 2206 1 4 . 1 1 46 46 GLY H H 46 9.449 9.449 9.422 0.027 25150 2207 1 4 . 1 1 47 47 THR N N 47 107.981 107.981 112.189 -4.208 25150 2208 1 4 . 1 1 47 47 THR HA H 47 4.801 4.801 4.551 0.250 25150 2209 1 4 . 1 1 47 47 THR C C 47 176.158 176.158 176.302 -0.144 25150 2210 1 4 . 1 1 47 47 THR CA C 47 60.380 60.380 59.975 0.405 25150 2211 1 4 . 1 1 47 47 THR CB C 47 73.420 73.420 71.564 1.855 25150 2212 1 4 . 1 1 47 47 THR H H 47 7.426 7.426 7.557 -0.131 25150 2213 1 4 . 1 1 48 48 LEU N N 48 119.132 119.132 120.363 -1.231 25150 2214 1 4 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.037 0.020 25150 2215 1 4 . 1 1 48 48 LEU C C 48 175.907 175.907 177.053 -1.146 25150 2216 1 4 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.889 -0.399 25150 2217 1 4 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.503 0.117 25150 2218 1 4 . 1 1 48 48 LEU H H 48 8.966 8.966 8.793 0.173 25150 2219 1 4 . 1 1 49 49 TYR N N 49 113.649 113.649 115.097 -1.448 25150 2220 1 4 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.896 -0.071 25150 2221 1 4 . 1 1 49 49 TYR C C 49 174.634 174.634 174.846 -0.212 25150 2222 1 4 . 1 1 49 49 TYR CA C 49 56.110 56.110 55.407 0.703 25150 2223 1 4 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.077 0.313 25150 2224 1 4 . 1 1 49 49 TYR H H 49 7.205 7.205 7.636 -0.431 25150 2225 1 4 . 1 1 50 50 GLU N N 50 122.006 122.006 122.551 -0.545 25150 2226 1 4 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.126 -0.649 25150 2227 1 4 . 1 1 50 50 GLU C C 50 177.182 177.182 177.681 -0.499 25150 2228 1 4 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.100 -0.000 25150 2229 1 4 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.637 1.403 25150 2230 1 4 . 1 1 50 50 GLU H H 50 6.934 6.934 7.691 -0.757 25150 2231 1 4 . 1 1 51 51 GLY N N 51 115.165 115.165 115.871 -0.706 25150 2232 1 4 . 1 1 51 51 GLY C C 51 173.997 173.997 174.308 -0.311 25150 2233 1 4 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.967 0.533 25150 2234 1 4 . 1 1 51 51 GLY H H 51 8.752 8.752 8.744 0.008 25150 2235 1 4 . 1 1 52 52 GLU N N 52 120.251 120.251 122.926 -2.675 25150 2236 1 4 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.289 -0.319 25150 2237 1 4 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.487 0.953 25150 2238 1 4 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.333 2.367 25150 2239 1 4 . 1 1 52 52 GLU H H 52 7.900 7.900 8.391 -0.491 25150 2240 1 4 . 1 1 53 53 LYS N N 53 120.435 120.435 123.893 -3.458 25150 2241 1 4 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.688 -0.002 25150 2242 1 4 . 1 1 53 53 LYS C C 53 175.285 175.285 175.370 -0.085 25150 2243 1 4 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.807 0.573 25150 2244 1 4 . 1 1 53 53 LYS CB C 53 34.060 34.060 34.144 -0.084 25150 2245 1 4 . 1 1 53 53 LYS H H 53 8.046 8.046 8.251 -0.205 25150 2246 1 4 . 1 1 54 54 PHE N N 54 122.724 122.724 121.513 1.211 25150 2247 1 4 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.777 0.743 25150 2248 1 4 . 1 1 54 54 PHE C C 54 175.151 175.151 174.870 0.281 25150 2249 1 4 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.945 -2.255 25150 2250 1 4 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.079 1.521 25150 2251 1 4 . 1 1 54 54 PHE H H 54 9.082 9.082 8.600 0.482 25150 2252 1 4 . 1 1 55 55 GLN N N 55 121.971 121.971 123.006 -1.035 25150 2253 1 4 . 1 1 55 55 GLN HA H 55 5.351 5.351 4.956 0.395 25150 2254 1 4 . 1 1 55 55 GLN C C 55 173.802 173.802 174.633 -0.831 25150 2255 1 4 . 1 1 55 55 GLN CA C 55 56.200 56.200 55.193 1.007 25150 2256 1 4 . 1 1 55 55 GLN CB C 55 34.320 34.320 30.215 4.105 25150 2257 1 4 . 1 1 55 55 GLN H H 55 10.001 10.001 8.773 1.228 25150 2258 1 4 . 1 1 56 56 LEU N N 56 124.898 124.898 128.795 -3.897 25150 2259 1 4 . 1 1 56 56 LEU HA H 56 4.692 4.692 4.662 0.030 25150 2260 1 4 . 1 1 56 56 LEU C C 56 174.265 174.265 173.916 0.349 25150 2261 1 4 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.895 -0.475 25150 2262 1 4 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.681 1.009 25150 2263 1 4 . 1 1 56 56 LEU H H 56 9.573 9.573 9.264 0.309 25150 2264 1 4 . 1 1 57 57 LEU N N 57 124.234 124.234 128.362 -4.128 25150 2265 1 4 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.007 0.163 25150 2266 1 4 . 1 1 57 57 LEU C C 57 174.551 174.551 174.435 0.116 25150 2267 1 4 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.857 -0.187 25150 2268 1 4 . 1 1 57 57 LEU CB C 57 45.520 45.520 43.448 2.072 25150 2269 1 4 . 1 1 57 57 LEU H H 57 8.890 8.890 8.874 0.016 25150 2270 1 4 . 1 1 58 58 PHE N N 58 124.003 124.003 129.851 -5.848 25150 2271 1 4 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.726 0.024 25150 2272 1 4 . 1 1 58 58 PHE C C 58 174.407 174.407 173.237 1.170 25150 2273 1 4 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.832 0.168 25150 2274 1 4 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.916 2.023 25150 2275 1 4 . 1 1 58 58 PHE H H 58 9.134 9.134 8.837 0.297 25150 2276 1 4 . 1 1 59 59 LYS N N 59 120.089 120.089 127.363 -7.274 25150 2277 1 4 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.120 -0.237 25150 2278 1 4 . 1 1 59 59 LYS C C 59 175.192 175.192 174.478 0.714 25150 2279 1 4 . 1 1 59 59 LYS CA C 59 54.820 54.820 53.981 0.839 25150 2280 1 4 . 1 1 59 59 LYS CB C 59 35.530 35.530 35.806 -0.276 25150 2281 1 4 . 1 1 59 59 LYS H H 59 8.732 8.732 8.464 0.268 25150 2282 1 4 . 1 1 60 60 PHE N N 60 123.988 123.988 122.980 1.008 25150 2283 1 4 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.472 -0.168 25150 2284 1 4 . 1 1 60 60 PHE C C 60 174.636 174.636 175.449 -0.813 25150 2285 1 4 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.499 0.751 25150 2286 1 4 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.632 0.528 25150 2287 1 4 . 1 1 60 60 PHE H H 60 8.649 8.649 8.891 -0.242 25150 2288 1 4 . 1 1 61 61 SER N N 61 117.599 117.599 119.257 -1.658 25150 2289 1 4 . 1 1 61 61 SER C C 61 174.771 174.771 174.639 0.132 25150 2290 1 4 . 1 1 61 61 SER CA C 61 57.130 57.130 57.730 -0.600 25150 2291 1 4 . 1 1 61 61 SER CB C 61 66.030 66.030 64.016 2.014 25150 2292 1 4 . 1 1 61 61 SER H H 61 8.066 8.066 8.351 -0.285 25150 2293 1 4 . 1 1 62 62 SER N N 62 119.994 119.994 115.691 4.303 25150 2294 1 4 . 1 1 62 62 SER CA C 62 61.650 61.650 60.393 1.257 25150 2295 1 4 . 1 1 62 62 SER H H 62 8.265 8.265 8.595 -0.330 25150 2296 1 4 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.340 0.110 25150 2297 1 4 . 1 1 63 63 ARG C C 63 175.086 175.086 177.126 -2.040 25150 2298 1 4 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.155 0.515 25150 2299 1 4 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.491 -0.441 25150 2300 1 4 . 1 1 64 64 TYR N N 64 120.957 120.957 124.060 -3.103 25150 2301 1 4 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.111 1.569 25150 2302 1 4 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.439 -0.719 25150 2303 1 4 . 1 1 64 64 TYR H H 64 7.471 7.471 7.954 -0.483 25150 2304 1 4 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.628 0.042 25150 2305 1 4 . 1 1 65 65 PRO C C 65 174.345 174.345 174.685 -0.340 25150 2306 1 4 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.199 1.261 25150 2307 1 4 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.749 2.621 25150 2308 1 4 . 1 1 66 66 PHE N N 66 126.070 126.070 118.943 7.127 25150 2309 1 4 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.712 -0.469 25150 2310 1 4 . 1 1 66 66 PHE C C 66 175.867 175.867 175.048 0.819 25150 2311 1 4 . 1 1 66 66 PHE CA C 66 61.080 61.080 58.324 2.756 25150 2312 1 4 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.704 -1.694 25150 2313 1 4 . 1 1 66 66 PHE H H 66 8.630 8.630 8.017 0.613 25150 2314 1 4 . 1 1 67 67 ASP N N 67 118.021 118.021 116.916 1.105 25150 2315 1 4 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.632 -0.673 25150 2316 1 4 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.165 -47.535 25150 2317 1 4 . 1 1 67 67 ASP CB C 67 34.840 34.840 43.727 -8.887 25150 2318 1 4 . 1 1 67 67 ASP H H 67 7.126 7.126 7.461 -0.335 25150 2319 1 4 . 1 1 68 68 SER N N 68 120.730 120.730 114.965 5.765 25150 2320 1 4 . 1 1 68 68 SER CA C 68 55.750 55.750 55.783 -0.033 25150 2321 1 4 . 1 1 68 68 SER CB C 68 61.900 61.900 62.862 -0.962 25150 2322 1 4 . 1 1 68 68 SER H H 68 8.091 8.091 8.062 0.029 25150 2323 1 4 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.132 0.224 25150 2324 1 4 . 1 1 69 69 PRO CA C 69 62.080 62.080 61.901 0.179 25150 2325 1 4 . 1 1 69 69 PRO CB C 69 32.710 32.710 31.972 0.738 25150 2326 1 4 . 1 1 70 70 GLN N N 70 119.493 119.493 120.987 -1.494 25150 2327 1 4 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.658 -0.588 25150 2328 1 4 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.385 2.105 25150 2329 1 4 . 1 1 70 70 GLN H H 70 8.049 8.049 8.035 0.014 25150 2330 1 4 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.597 -0.197 25150 2331 1 4 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.404 -0.594 25150 2332 1 4 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.641 0.199 25150 2333 1 4 . 1 1 72 72 MET N N 72 120.767 120.767 121.824 -1.057 25150 2334 1 4 . 1 1 72 72 MET HA H 72 4.731 4.731 4.675 0.056 25150 2335 1 4 . 1 1 72 72 MET C C 72 174.779 174.779 173.872 0.907 25150 2336 1 4 . 1 1 72 72 MET CA C 72 54.390 54.390 54.574 -0.184 25150 2337 1 4 . 1 1 72 72 MET CB C 72 36.140 36.140 36.236 -0.096 25150 2338 1 4 . 1 1 72 72 MET H H 72 8.245 8.245 8.282 -0.037 25150 2339 1 4 . 1 1 73 73 PHE N N 73 120.458 120.458 118.523 1.935 25150 2340 1 4 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.922 0.292 25150 2341 1 4 . 1 1 73 73 PHE C C 73 175.404 175.404 176.431 -1.027 25150 2342 1 4 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.928 0.652 25150 2343 1 4 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.095 0.525 25150 2344 1 4 . 1 1 73 73 PHE H H 73 9.193 9.193 8.834 0.359 25150 2345 1 4 . 1 1 74 74 THR N N 74 113.842 113.842 113.145 0.697 25150 2346 1 4 . 1 1 74 74 THR HA H 74 4.777 4.777 4.730 0.047 25150 2347 1 4 . 1 1 74 74 THR C C 74 173.551 173.551 173.881 -0.330 25150 2348 1 4 . 1 1 74 74 THR CA C 74 59.580 59.580 59.550 0.031 25150 2349 1 4 . 1 1 74 74 THR CB C 74 71.300 71.300 71.713 -0.413 25150 2350 1 4 . 1 1 74 74 THR H H 74 8.894 8.894 8.744 0.150 25150 2351 1 4 . 1 1 75 75 GLY N N 75 109.259 109.259 109.370 -0.111 25150 2352 1 4 . 1 1 75 75 GLY C C 75 173.980 173.980 174.618 -0.638 25150 2353 1 4 . 1 1 75 75 GLY CA C 75 44.710 44.710 46.117 -1.407 25150 2354 1 4 . 1 1 75 75 GLY H H 75 8.058 8.058 8.460 -0.402 25150 2355 1 4 . 1 1 76 76 GLU N N 76 116.661 116.661 121.450 -4.789 25150 2356 1 4 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.278 -0.137 25150 2357 1 4 . 1 1 76 76 GLU C C 76 176.624 176.624 176.956 -0.332 25150 2358 1 4 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.583 1.457 25150 2359 1 4 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.254 0.656 25150 2360 1 4 . 1 1 76 76 GLU H H 76 8.356 8.356 8.681 -0.325 25150 2361 1 4 . 1 1 77 77 ASN N N 77 118.469 118.469 120.223 -1.754 25150 2362 1 4 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.830 0.280 25150 2363 1 4 . 1 1 77 77 ASN C C 77 176.525 176.525 173.654 2.871 25150 2364 1 4 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.591 -0.351 25150 2365 1 4 . 1 1 77 77 ASN CB C 77 39.710 39.710 37.631 2.079 25150 2366 1 4 . 1 1 77 77 ASN H H 77 8.614 8.614 8.265 0.349 25150 2367 1 4 . 1 1 78 78 ILE N N 78 117.605 117.605 123.529 -5.924 25150 2368 1 4 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.356 3.034 25150 2369 1 4 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.696 3.944 25150 2370 1 4 . 1 1 78 78 ILE H H 78 7.736 7.736 7.871 -0.135 25150 2371 1 4 . 1 1 79 79 PRO C C 79 176.134 176.134 175.093 1.041 25150 2372 1 4 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.513 1.317 25150 2373 1 4 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.802 -0.642 25150 2374 1 4 . 1 1 80 80 VAL N N 80 123.378 123.378 118.974 4.404 25150 2375 1 4 . 1 1 80 80 VAL CA C 80 62.830 62.830 61.705 1.125 25150 2376 1 4 . 1 1 80 80 VAL CB C 80 29.920 29.920 33.415 -3.495 25150 2377 1 4 . 1 1 80 80 VAL H H 80 8.297 8.297 8.405 -0.108 25150 2378 1 4 . 1 1 82 82 PRO C C 82 176.169 176.169 176.999 -0.830 25150 2379 1 4 . 1 1 82 82 PRO CA C 82 64.710 64.710 65.137 -0.427 25150 2380 1 4 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.881 -0.211 25150 2381 1 4 . 1 1 83 83 HIS N N 83 121.199 121.199 114.440 6.759 25150 2382 1 4 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.767 0.074 25150 2383 1 4 . 1 1 83 83 HIS C C 83 173.457 173.457 173.672 -0.215 25150 2384 1 4 . 1 1 83 83 HIS CA C 83 54.680 54.680 56.119 -1.439 25150 2385 1 4 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.084 1.145 25150 2386 1 4 . 1 1 83 83 HIS H H 83 10.996 10.996 9.221 1.775 25150 2387 1 4 . 1 1 84 84 VAL N N 84 121.050 121.050 120.681 0.369 25150 2388 1 4 . 1 1 84 84 VAL HA H 84 4.777 4.777 5.045 -0.268 25150 2389 1 4 . 1 1 84 84 VAL C C 84 175.155 175.155 174.907 0.248 25150 2390 1 4 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.769 0.331 25150 2391 1 4 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.177 -0.067 25150 2392 1 4 . 1 1 84 84 VAL H H 84 8.058 8.058 7.709 0.349 25150 2393 1 4 . 1 1 85 85 TYR N N 85 126.195 126.195 125.885 0.310 25150 2394 1 4 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.678 0.007 25150 2395 1 4 . 1 1 85 85 TYR C C 85 179.268 179.268 177.252 2.016 25150 2396 1 4 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.938 1.452 25150 2397 1 4 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.005 1.265 25150 2398 1 4 . 1 1 85 85 TYR H H 85 9.136 9.136 9.131 0.005 25150 2399 1 4 . 1 1 86 86 SER N N 86 115.546 115.546 115.479 0.067 25150 2400 1 4 . 1 1 86 86 SER HA H 86 3.935 3.935 4.109 -0.174 25150 2401 1 4 . 1 1 86 86 SER C C 86 174.309 174.309 174.441 -0.132 25150 2402 1 4 . 1 1 86 86 SER CA C 86 61.890 61.890 60.618 1.272 25150 2403 1 4 . 1 1 86 86 SER CB C 86 62.230 62.230 63.192 -0.962 25150 2404 1 4 . 1 1 86 86 SER H H 86 10.052 10.052 8.689 1.363 25150 2405 1 4 . 1 1 87 87 ASN N N 87 116.470 116.470 116.140 0.330 25150 2406 1 4 . 1 1 87 87 ASN C C 87 175.624 175.624 176.190 -0.566 25150 2407 1 4 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.184 0.156 25150 2408 1 4 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.818 -0.328 25150 2409 1 4 . 1 1 87 87 ASN H H 87 7.331 7.331 7.963 -0.632 25150 2410 1 4 . 1 1 88 88 GLY N N 88 108.412 108.412 107.544 0.868 25150 2411 1 4 . 1 1 88 88 GLY C C 88 174.247 174.247 174.259 -0.012 25150 2412 1 4 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.471 0.439 25150 2413 1 4 . 1 1 88 88 GLY H H 88 8.737 8.737 8.347 0.390 25150 2414 1 4 . 1 1 89 89 HIS N N 89 119.508 119.508 121.903 -2.395 25150 2415 1 4 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.426 -1.126 25150 2416 1 4 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.553 1.307 25150 2417 1 4 . 1 1 89 89 HIS H H 89 7.494 7.494 8.733 -1.239 25150 2418 1 4 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.579 -0.165 25150 2419 1 4 . 1 1 90 90 ILE C C 90 174.510 174.510 175.511 -1.001 25150 2420 1 4 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.418 -2.098 25150 2421 1 4 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.274 0.006 25150 2422 1 4 . 1 1 91 91 CYS N N 91 123.587 123.587 128.967 -5.380 25150 2423 1 4 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.038 5.542 25150 2424 1 4 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.110 7.280 25150 2425 1 4 . 1 1 91 91 CYS H H 91 7.304 7.304 9.127 -1.823 25150 2426 1 4 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.785 -0.115 25150 2427 1 4 . 1 1 92 92 LEU C C 92 175.822 175.822 177.966 -2.144 25150 2428 1 4 . 1 1 92 92 LEU CA C 92 59.460 59.460 52.977 6.483 25150 2429 1 4 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.383 -3.963 25150 2430 1 4 . 1 1 93 93 SER N N 93 111.707 111.707 119.906 -8.199 25150 2431 1 4 . 1 1 93 93 SER HA H 93 4.331 4.331 4.315 0.016 25150 2432 1 4 . 1 1 93 93 SER C C 93 177.433 177.433 176.423 1.010 25150 2433 1 4 . 1 1 93 93 SER CA C 93 62.150 62.150 60.710 1.440 25150 2434 1 4 . 1 1 93 93 SER H H 93 9.037 9.037 8.739 0.298 25150 2435 1 4 . 1 1 94 94 ILE N N 94 118.993 118.993 115.253 3.740 25150 2436 1 4 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.929 169.609 25150 2437 1 4 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.299 1.011 25150 2438 1 4 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.359 0.541 25150 2439 1 4 . 1 1 94 94 ILE H H 94 7.859 7.859 8.029 -0.170 25150 2440 1 4 . 1 1 95 95 LEU N N 95 113.763 113.763 118.476 -4.713 25150 2441 1 4 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.471 0.181 25150 2442 1 4 . 1 1 95 95 LEU C C 95 178.458 178.458 177.457 1.001 25150 2443 1 4 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.537 -0.207 25150 2444 1 4 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.021 0.059 25150 2445 1 4 . 1 1 95 95 LEU H H 95 7.351 7.351 7.764 -0.413 25150 2446 1 4 . 1 1 96 96 THR N N 96 109.929 109.929 112.337 -2.408 25150 2447 1 4 . 1 1 96 96 THR HA H 96 4.338 4.338 4.584 -0.246 25150 2448 1 4 . 1 1 96 96 THR C C 96 175.947 175.947 176.470 -0.523 25150 2449 1 4 . 1 1 96 96 THR CA C 96 60.960 60.960 62.672 -1.712 25150 2450 1 4 . 1 1 96 96 THR CB C 96 69.280 69.280 69.079 0.201 25150 2451 1 4 . 1 1 96 96 THR H H 96 7.794 7.794 7.930 -0.136 25150 2452 1 4 . 1 1 97 97 GLU N N 97 123.314 123.314 120.815 2.499 25150 2453 1 4 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.160 0.157 25150 2454 1 4 . 1 1 97 97 GLU C C 97 176.907 176.907 177.095 -0.188 25150 2455 1 4 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.866 -0.186 25150 2456 1 4 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.483 1.306 25150 2457 1 4 . 1 1 97 97 GLU H H 97 8.913 8.913 8.540 0.373 25150 2458 1 4 . 1 1 98 98 ASP N N 98 116.420 116.420 117.195 -0.775 25150 2459 1 4 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.948 0.242 25150 2460 1 4 . 1 1 98 98 ASP CB C 98 41.500 41.500 40.921 0.579 25150 2461 1 4 . 1 1 98 98 ASP H H 98 8.124 8.124 8.055 0.069 25150 2462 1 4 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.501 -0.081 25150 2463 1 4 . 1 1 99 99 TRP C C 99 176.495 176.495 175.178 1.317 25150 2464 1 4 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.511 -0.081 25150 2465 1 4 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.393 -0.813 25150 2466 1 4 . 1 1 100 100 SER N N 100 120.993 120.993 119.781 1.212 25150 2467 1 4 . 1 1 100 100 SER CA C 100 55.370 55.370 54.440 0.930 25150 2468 1 4 . 1 1 100 100 SER CB C 100 64.860 64.860 64.399 0.461 25150 2469 1 4 . 1 1 100 100 SER H H 100 5.703 5.703 7.038 -1.335 25150 2470 1 4 . 1 1 101 101 PRO HA H 101 4.193 4.193 3.946 0.247 25150 2471 1 4 . 1 1 101 101 PRO C C 101 175.227 175.227 177.107 -1.880 25150 2472 1 4 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.334 -0.634 25150 2473 1 4 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.400 0.020 25150 2474 1 4 . 1 1 102 102 ALA N N 102 118.668 118.668 119.625 -0.957 25150 2475 1 4 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.199 -0.105 25150 2476 1 4 . 1 1 102 102 ALA C C 102 178.797 178.797 177.557 1.240 25150 2477 1 4 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.769 0.061 25150 2478 1 4 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.625 0.385 25150 2479 1 4 . 1 1 102 102 ALA H H 102 7.290 7.290 7.875 -0.585 25150 2480 1 4 . 1 1 103 103 LEU N N 103 119.365 119.365 119.592 -0.227 25150 2481 1 4 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.319 -0.109 25150 2482 1 4 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.766 -1.056 25150 2483 1 4 . 1 1 103 103 LEU H H 103 7.263 7.263 7.123 0.140 25150 2484 1 4 . 1 1 104 104 SER HA H 104 4.381 4.381 4.839 -0.458 25150 2485 1 4 . 1 1 104 104 SER C C 104 175.278 175.278 175.554 -0.276 25150 2486 1 4 . 1 1 104 104 SER CA C 104 56.500 56.500 56.820 -0.320 25150 2487 1 4 . 1 1 104 104 SER CB C 104 66.770 66.770 65.736 1.034 25150 2488 1 4 . 1 1 105 105 VAL N N 105 123.025 123.025 121.937 1.088 25150 2489 1 4 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.711 -0.099 25150 2490 1 4 . 1 1 105 105 VAL C C 105 179.053 179.053 177.401 1.652 25150 2491 1 4 . 1 1 105 105 VAL CA C 105 68.070 68.070 67.488 0.582 25150 2492 1 4 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.479 0.141 25150 2493 1 4 . 1 1 105 105 VAL H H 105 9.841 9.841 9.214 0.627 25150 2494 1 4 . 1 1 106 106 GLN N N 106 121.218 121.218 119.532 1.686 25150 2495 1 4 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.903 -0.048 25150 2496 1 4 . 1 1 106 106 GLN C C 106 177.698 177.698 178.223 -0.525 25150 2497 1 4 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.636 1.494 25150 2498 1 4 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.346 -0.117 25150 2499 1 4 . 1 1 106 106 GLN H H 106 9.109 9.109 8.634 0.475 25150 2500 1 4 . 1 1 107 107 SER N N 107 115.531 115.531 116.560 -1.029 25150 2501 1 4 . 1 1 107 107 SER C C 107 177.828 177.828 176.732 1.096 25150 2502 1 4 . 1 1 107 107 SER CA C 107 62.500 62.500 62.733 -0.233 25150 2503 1 4 . 1 1 107 107 SER CB C 107 62.670 62.670 62.889 -0.219 25150 2504 1 4 . 1 1 107 107 SER H H 107 8.209 8.209 8.110 0.099 25150 2505 1 4 . 1 1 108 108 VAL N N 108 123.756 123.756 121.844 1.912 25150 2506 1 4 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.727 -0.066 25150 2507 1 4 . 1 1 108 108 VAL C C 108 178.087 178.087 177.856 0.231 25150 2508 1 4 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.787 0.184 25150 2509 1 4 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.897 -0.187 25150 2510 1 4 . 1 1 108 108 VAL H H 108 8.256 8.256 7.917 0.339 25150 2511 1 4 . 1 1 109 109 CYS N N 109 118.175 118.175 118.216 -0.041 25150 2512 1 4 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.171 -0.236 25150 2513 1 4 . 1 1 109 109 CYS C C 109 176.918 176.918 177.004 -0.086 25150 2514 1 4 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.683 1.207 25150 2515 1 4 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.935 0.865 25150 2516 1 4 . 1 1 109 109 CYS H H 109 8.781 8.781 8.523 0.258 25150 2517 1 4 . 1 1 110 110 LEU N N 110 118.491 118.491 120.796 -2.305 25150 2518 1 4 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.075 0.035 25150 2519 1 4 . 1 1 110 110 LEU C C 110 180.150 180.150 179.094 1.056 25150 2520 1 4 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.899 0.581 25150 2521 1 4 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.489 -0.479 25150 2522 1 4 . 1 1 110 110 LEU H H 110 8.543 8.543 8.699 -0.156 25150 2523 1 4 . 1 1 111 111 SER N N 111 117.917 117.917 116.149 1.768 25150 2524 1 4 . 1 1 111 111 SER C C 111 177.009 177.009 176.776 0.233 25150 2525 1 4 . 1 1 111 111 SER CA C 111 63.050 63.050 62.422 0.628 25150 2526 1 4 . 1 1 111 111 SER CB C 111 62.980 62.980 62.943 0.037 25150 2527 1 4 . 1 1 111 111 SER H H 111 8.181 8.181 8.068 0.113 25150 2528 1 4 . 1 1 112 112 ILE N N 112 124.764 124.764 122.871 1.893 25150 2529 1 4 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.653 0.020 25150 2530 1 4 . 1 1 112 112 ILE C C 112 177.441 177.441 177.790 -0.349 25150 2531 1 4 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.711 -0.281 25150 2532 1 4 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.837 0.113 25150 2533 1 4 . 1 1 112 112 ILE H H 112 8.249 8.249 8.072 0.177 25150 2534 1 4 . 1 1 113 113 ILE N N 113 121.123 121.123 120.251 0.872 25150 2535 1 4 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.690 -0.094 25150 2536 1 4 . 1 1 113 113 ILE C C 113 179.525 179.525 178.242 1.283 25150 2537 1 4 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.614 0.646 25150 2538 1 4 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.806 0.974 25150 2539 1 4 . 1 1 113 113 ILE H H 113 8.415 8.415 8.147 0.268 25150 2540 1 4 . 1 1 114 114 SER N N 114 115.247 115.247 116.589 -1.342 25150 2541 1 4 . 1 1 114 114 SER HA H 114 4.300 4.300 4.255 0.045 25150 2542 1 4 . 1 1 114 114 SER C C 114 176.915 176.915 176.822 0.093 25150 2543 1 4 . 1 1 114 114 SER CA C 114 61.510 61.510 61.296 0.214 25150 2544 1 4 . 1 1 114 114 SER CB C 114 62.990 62.990 63.095 -0.105 25150 2545 1 4 . 1 1 114 114 SER H H 114 8.241 8.241 8.299 -0.058 25150 2546 1 4 . 1 1 115 115 MET N N 115 122.921 122.921 124.021 -1.100 25150 2547 1 4 . 1 1 115 115 MET C C 115 179.552 179.552 178.833 0.719 25150 2548 1 4 . 1 1 115 115 MET CA C 115 59.030 59.030 58.952 0.078 25150 2549 1 4 . 1 1 115 115 MET CB C 115 33.040 33.040 32.424 0.616 25150 2550 1 4 . 1 1 115 115 MET H H 115 8.216 8.216 8.076 0.140 25150 2551 1 4 . 1 1 116 116 LEU N N 116 120.553 120.553 117.767 2.786 25150 2552 1 4 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.232 -0.155 25150 2553 1 4 . 1 1 116 116 LEU C C 116 179.264 179.264 178.751 0.513 25150 2554 1 4 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.390 1.380 25150 2555 1 4 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.910 -1.280 25150 2556 1 4 . 1 1 116 116 LEU H H 116 7.981 7.981 8.063 -0.082 25150 2557 1 4 . 1 1 117 117 SER N N 117 114.100 114.100 112.335 1.765 25150 2558 1 4 . 1 1 117 117 SER HA H 117 4.342 4.342 4.380 -0.038 25150 2559 1 4 . 1 1 117 117 SER C C 117 175.042 175.042 176.222 -1.180 25150 2560 1 4 . 1 1 117 117 SER CA C 117 61.700 61.700 60.445 1.255 25150 2561 1 4 . 1 1 117 117 SER CB C 117 63.120 63.120 63.839 -0.719 25150 2562 1 4 . 1 1 117 117 SER H H 117 8.467 8.467 8.279 0.188 25150 2563 1 4 . 1 1 118 118 SER N N 118 113.628 113.628 115.998 -2.370 25150 2564 1 4 . 1 1 118 118 SER HA H 118 4.485 4.485 4.411 0.074 25150 2565 1 4 . 1 1 118 118 SER C C 118 174.142 174.142 175.589 -1.447 25150 2566 1 4 . 1 1 118 118 SER CA C 118 59.000 59.000 58.932 0.068 25150 2567 1 4 . 1 1 118 118 SER CB C 118 64.040 64.040 63.756 0.284 25150 2568 1 4 . 1 1 118 118 SER H H 118 8.037 8.037 8.036 0.001 25150 2569 1 4 . 1 1 119 119 CYS N N 119 122.293 122.293 124.504 -2.211 25150 2570 1 4 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.885 -1.695 25150 2571 1 4 . 1 1 119 119 CYS CB C 119 28.270 28.270 27.741 0.529 25150 2572 1 4 . 1 1 119 119 CYS H H 119 7.250 7.250 7.753 -0.503 25150 2573 1 4 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.255 0.285 25150 2574 1 4 . 1 1 120 120 LYS C C 120 176.345 176.345 175.747 0.598 25150 2575 1 4 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.385 7.665 25150 2576 1 4 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.980 0.570 25150 2577 1 4 . 1 1 121 121 GLU N N 121 120.936 120.936 116.144 4.792 25150 2578 1 4 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.351 -0.122 25150 2579 1 4 . 1 1 121 121 GLU C C 121 174.053 174.053 175.286 -1.233 25150 2580 1 4 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.565 0.625 25150 2581 1 4 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.226 1.464 25150 2582 1 4 . 1 1 121 121 GLU H H 121 7.700 7.700 7.819 -0.119 25150 2583 1 4 . 1 1 122 122 LYS N N 122 127.472 127.472 120.162 7.310 25150 2584 1 4 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.185 -0.323 25150 2585 1 4 . 1 1 122 122 LYS C C 122 174.440 174.440 176.510 -2.070 25150 2586 1 4 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.745 1.534 25150 2587 1 4 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.558 -0.148 25150 2588 1 4 . 1 1 122 122 LYS H H 122 8.890 8.890 8.485 0.405 25150 2589 1 4 . 1 1 123 123 ARG N N 123 123.268 123.268 121.193 2.075 25150 2590 1 4 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.162 0.108 25150 2591 1 4 . 1 1 123 123 ARG C C 123 172.653 172.653 175.713 -3.060 25150 2592 1 4 . 1 1 123 123 ARG CA C 123 54.580 54.580 56.372 -1.792 25150 2593 1 4 . 1 1 123 123 ARG CB C 123 32.230 32.230 30.562 1.668 25150 2594 1 4 . 1 1 123 123 ARG H H 123 6.841 6.841 7.907 -1.066 25150 2595 1 4 . 1 1 124 124 ARG N N 124 116.787 116.787 125.286 -8.499 25150 2596 1 4 . 1 1 124 124 ARG CA C 124 54.710 54.710 53.503 1.207 25150 2597 1 4 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.901 -1.821 25150 2598 1 4 . 1 1 124 124 ARG H H 124 8.044 8.044 8.310 -0.266 25150 2599 1 4 . 1 1 126 126 PRO CA C 126 64.800 64.800 65.100 -0.300 25150 2600 1 4 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.814 -0.034 25150 2601 1 4 . 1 1 127 127 ASP N N 127 115.165 115.165 114.324 0.841 25150 2602 1 4 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.679 0.445 25150 2603 1 4 . 1 1 127 127 ASP C C 127 172.871 172.871 177.189 -4.318 25150 2604 1 4 . 1 1 127 127 ASP CA C 127 52.670 52.670 54.330 -1.660 25150 2605 1 4 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.032 -0.892 25150 2606 1 4 . 1 1 127 127 ASP H H 127 8.711 8.711 8.536 0.175 25150 2607 1 4 . 1 1 128 128 ASN N N 128 127.858 127.858 119.865 7.993 25150 2608 1 4 . 1 1 128 128 ASN CA C 128 56.480 56.480 56.677 -0.197 25150 2609 1 4 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.974 -0.414 25150 2610 1 4 . 1 1 128 128 ASN H H 128 8.502 8.502 8.277 0.225 25150 2611 1 4 . 1 1 129 129 SER C C 129 176.346 176.346 176.621 -0.275 25150 2612 1 4 . 1 1 129 129 SER CA C 129 62.330 62.330 61.070 1.260 25150 2613 1 4 . 1 1 130 130 PHE N N 130 121.897 121.897 124.619 -2.722 25150 2614 1 4 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.096 0.024 25150 2615 1 4 . 1 1 130 130 PHE C C 130 177.740 177.740 177.089 0.651 25150 2616 1 4 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.276 -0.316 25150 2617 1 4 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.874 0.886 25150 2618 1 4 . 1 1 130 130 PHE H H 130 8.022 8.022 7.424 0.598 25150 2619 1 4 . 1 1 131 131 TYR N N 131 122.173 122.173 116.390 5.783 25150 2620 1 4 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.294 -0.548 25150 2621 1 4 . 1 1 131 131 TYR C C 131 178.140 178.140 177.232 0.908 25150 2622 1 4 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.374 0.916 25150 2623 1 4 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.116 1.424 25150 2624 1 4 . 1 1 131 131 TYR H H 131 8.871 8.871 7.591 1.280 25150 2625 1 4 . 1 1 132 132 VAL N N 132 116.993 116.993 116.668 0.325 25150 2626 1 4 . 1 1 132 132 VAL C C 132 178.082 178.082 178.392 -0.310 25150 2627 1 4 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.542 0.788 25150 2628 1 4 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.862 -0.412 25150 2629 1 4 . 1 1 132 132 VAL H H 132 8.551 8.551 8.179 0.372 25150 2630 1 4 . 1 1 133 133 ARG N N 133 118.860 118.860 117.573 1.287 25150 2631 1 4 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.526 0.454 25150 2632 1 4 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.574 -0.324 25150 2633 1 4 . 1 1 133 133 ARG H H 133 7.545 7.545 7.998 -0.453 25150 2634 1 4 . 1 1 134 134 THR CA C 134 62.280 62.280 60.863 1.417 25150 2635 1 4 . 1 1 134 134 THR CB C 134 69.790 69.790 68.639 1.151 25150 2636 1 4 . 1 1 135 135 CYS N N 135 125.959 125.959 122.196 3.763 25150 2637 1 4 . 1 1 135 135 CYS CA C 135 59.760 59.760 59.201 0.559 25150 2638 1 4 . 1 1 135 135 CYS CB C 135 39.010 39.010 29.362 9.648 25150 2639 1 4 . 1 1 135 135 CYS H H 135 7.881 7.881 7.603 0.278 25150 2640 1 4 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.634 -0.624 25150 2641 1 4 . 1 1 136 136 ASN C C 136 177.768 177.768 175.942 1.826 25150 2642 1 4 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.134 0.026 25150 2643 1 4 . 1 1 136 136 ASN CB C 136 38.470 38.470 37.544 0.926 25150 2644 1 4 . 1 1 137 137 LYS N N 137 119.224 119.224 117.585 1.639 25150 2645 1 4 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.374 -0.178 25150 2646 1 4 . 1 1 137 137 LYS C C 137 176.185 176.185 176.424 -0.239 25150 2647 1 4 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.085 1.895 25150 2648 1 4 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.012 0.858 25150 2649 1 4 . 1 1 137 137 LYS H H 137 7.678 7.678 7.394 0.284 25150 2650 1 4 . 1 1 138 138 ASN N N 138 117.174 117.174 120.831 -3.657 25150 2651 1 4 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.888 -0.358 25150 2652 1 4 . 1 1 138 138 ASN CB C 138 38.940 38.940 37.965 0.975 25150 2653 1 4 . 1 1 138 138 ASN H H 138 7.969 7.969 7.529 0.440 25150 2654 1 4 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.596 -0.198 25150 2655 1 4 . 1 1 139 139 PRO C C 139 177.335 177.335 176.670 0.665 25150 2656 1 4 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.653 1.197 25150 2657 1 4 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.343 -0.233 25150 2658 1 4 . 1 1 140 140 LYS N N 140 118.218 118.218 118.999 -0.781 25150 2659 1 4 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.180 28.470 25150 2660 1 4 . 1 1 140 140 LYS C C 140 176.564 176.564 176.590 -0.026 25150 2661 1 4 . 1 1 140 140 LYS CA C 140 56.990 56.990 57.464 -0.474 25150 2662 1 4 . 1 1 140 140 LYS H H 140 8.108 8.108 8.336 -0.228 25150 2663 1 4 . 1 1 141 141 LYS N N 141 119.276 119.276 120.485 -1.209 25150 2664 1 4 . 1 1 141 141 LYS C C 141 177.924 177.924 175.226 2.698 25150 2665 1 4 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.850 0.250 25150 2666 1 4 . 1 1 141 141 LYS CB C 141 29.780 29.780 33.805 -4.025 25150 2667 1 4 . 1 1 141 141 LYS H H 141 8.135 8.135 7.514 0.621 25150 2668 1 4 . 1 1 142 142 THR N N 142 115.380 115.380 122.415 -7.035 25150 2669 1 4 . 1 1 142 142 THR CA C 142 61.850 61.850 62.776 -0.926 25150 2670 1 4 . 1 1 142 142 THR CB C 142 69.660 69.660 68.033 1.627 25150 2671 1 4 . 1 1 142 142 THR H H 142 8.030 8.030 8.567 -0.537 25150 2672 1 4 . 1 1 143 143 LYS C C 143 178.955 178.955 175.533 3.422 25150 2673 1 4 . 1 1 144 144 TRP N N 144 120.470 120.470 124.433 -3.963 25150 2674 1 4 . 1 1 144 144 TRP C C 144 176.557 176.557 175.744 0.813 25150 2675 1 4 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.312 1.558 25150 2676 1 4 . 1 1 144 144 TRP CB C 144 33.000 33.000 31.032 1.968 25150 2677 1 4 . 1 1 144 144 TRP H H 144 8.094 8.094 8.197 -0.103 25150 2678 1 4 . 1 1 145 145 TRP N N 145 120.330 120.330 124.307 -3.977 25150 2679 1 4 . 1 1 145 145 TRP CA C 145 57.120 57.120 57.816 -0.696 25150 2680 1 4 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.262 2.588 25150 2681 1 4 . 1 1 145 145 TRP H H 145 8.488 8.488 8.953 -0.465 25150 2682 1 4 . 1 1 146 146 TYR C C 146 174.706 174.706 174.678 0.028 25150 2683 1 4 . 1 1 146 146 TYR CA C 146 57.430 57.430 56.820 0.610 25150 2684 1 4 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.477 0.263 25150 2685 1 4 . 1 1 147 147 HIS N N 147 121.604 121.604 122.001 -0.397 25150 2686 1 4 . 1 1 147 147 HIS HA H 147 4.186 4.186 3.953 0.233 25150 2687 1 4 . 1 1 147 147 HIS C C 147 176.874 176.874 175.209 1.665 25150 2688 1 4 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.303 -0.063 25150 2689 1 4 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.032 1.168 25150 2690 1 4 . 1 1 147 147 HIS H H 147 7.886 7.886 8.129 -0.243 25150 2691 1 4 . 1 1 148 148 ASP N N 148 122.629 122.629 125.224 -2.595 25150 2692 1 4 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.272 0.272 25150 2693 1 4 . 1 1 148 148 ASP C C 148 175.661 175.661 176.763 -1.102 25150 2694 1 4 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.888 0.292 25150 2695 1 4 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.930 0.750 25150 2696 1 4 . 1 1 148 148 ASP H H 148 8.109 8.109 7.594 0.515 25150 2697 1 4 . 1 1 149 149 ASP N N 149 121.321 121.321 127.356 -6.035 25150 2698 1 4 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.435 0.219 25150 2699 1 4 . 1 1 149 149 ASP C C 149 176.551 176.551 177.184 -0.633 25150 2700 1 4 . 1 1 149 149 ASP CA C 149 54.610 54.610 56.158 -1.548 25150 2701 1 4 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.740 0.620 25150 2702 1 4 . 1 1 149 149 ASP H H 149 8.395 8.395 8.707 -0.312 25150 2703 1 4 . 1 1 150 150 THR N N 150 113.450 113.450 110.421 3.029 25150 2704 1 4 . 1 1 150 150 THR HA H 150 4.296 4.296 4.335 -0.039 25150 2705 1 4 . 1 1 150 150 THR C C 150 173.994 173.994 174.805 -0.811 25150 2706 1 4 . 1 1 150 150 THR CA C 150 62.310 62.310 61.953 0.357 25150 2707 1 4 . 1 1 150 150 THR CB C 150 69.870 69.870 69.256 0.614 25150 2708 1 4 . 1 1 150 150 THR H H 150 8.259 8.259 8.459 -0.200 25150 2709 1 5 . 1 1 6 6 LYS HA H 6 4.294 4.294 3.932 0.362 25150 2710 1 5 . 1 1 6 6 LYS C C 6 176.970 176.970 178.836 -1.866 25150 2711 1 5 . 1 1 6 6 LYS CA C 6 58.370 58.370 60.386 -2.017 25150 2712 1 5 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.266 0.214 25150 2713 1 5 . 1 1 7 7 ARG N N 7 119.704 119.704 120.242 -0.538 25150 2714 1 5 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.129 0.069 25150 2715 1 5 . 1 1 7 7 ARG C C 7 178.270 178.270 178.700 -0.430 25150 2716 1 5 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.597 0.433 25150 2717 1 5 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.641 -1.081 25150 2718 1 5 . 1 1 7 7 ARG H H 7 8.599 8.599 8.018 0.581 25150 2719 1 5 . 1 1 8 8 LEU N N 8 119.704 119.704 119.318 0.386 25150 2720 1 5 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.071 0.019 25150 2721 1 5 . 1 1 8 8 LEU C C 8 178.980 178.980 178.856 0.124 25150 2722 1 5 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.896 0.394 25150 2723 1 5 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.375 0.685 25150 2724 1 5 . 1 1 8 8 LEU H H 8 8.599 8.599 8.206 0.393 25150 2725 1 5 . 1 1 9 9 GLN N N 9 117.512 117.512 119.369 -1.857 25150 2726 1 5 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.951 0.086 25150 2727 1 5 . 1 1 9 9 GLN C C 9 178.610 178.610 178.161 0.449 25150 2728 1 5 . 1 1 9 9 GLN CA C 9 59.310 59.310 58.728 0.582 25150 2729 1 5 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.118 0.362 25150 2730 1 5 . 1 1 9 9 GLN H H 9 8.066 8.066 8.445 -0.379 25150 2731 1 5 . 1 1 10 10 LYS N N 10 119.556 119.556 119.862 -0.306 25150 2732 1 5 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.961 0.119 25150 2733 1 5 . 1 1 10 10 LYS C C 10 180.040 180.040 179.154 0.886 25150 2734 1 5 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.928 -0.248 25150 2735 1 5 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.326 0.134 25150 2736 1 5 . 1 1 10 10 LYS H H 10 7.678 7.678 8.221 -0.543 25150 2737 1 5 . 1 1 11 11 GLU N N 11 120.347 120.347 119.882 0.465 25150 2738 1 5 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.096 0.080 25150 2739 1 5 . 1 1 11 11 GLU C C 11 178.770 178.770 178.951 -0.181 25150 2740 1 5 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.553 1.487 25150 2741 1 5 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.815 0.845 25150 2742 1 5 . 1 1 11 11 GLU H H 11 8.533 8.533 8.033 0.500 25150 2743 1 5 . 1 1 12 12 LEU N N 12 123.285 123.285 120.744 2.541 25150 2744 1 5 . 1 1 12 12 LEU C C 12 178.570 178.570 179.157 -0.587 25150 2745 1 5 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.914 0.206 25150 2746 1 5 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.545 -0.465 25150 2747 1 5 . 1 1 12 12 LEU H H 12 8.685 8.685 8.376 0.309 25150 2748 1 5 . 1 1 13 13 LEU N N 13 118.881 118.881 118.536 0.345 25150 2749 1 5 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.908 0.089 25150 2750 1 5 . 1 1 13 13 LEU C C 13 179.260 179.260 178.840 0.420 25150 2751 1 5 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.716 0.184 25150 2752 1 5 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.306 0.584 25150 2753 1 5 . 1 1 13 13 LEU H H 13 7.588 7.588 8.308 -0.720 25150 2754 1 5 . 1 1 14 14 ALA N N 14 120.667 120.667 122.503 -1.836 25150 2755 1 5 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.060 0.130 25150 2756 1 5 . 1 1 14 14 ALA C C 14 176.270 176.270 179.794 -3.524 25150 2757 1 5 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.263 -0.073 25150 2758 1 5 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.386 -0.356 25150 2759 1 5 . 1 1 14 14 ALA H H 14 7.617 7.617 8.230 -0.613 25150 2760 1 5 . 1 1 15 15 LEU N N 15 119.965 119.965 117.656 2.309 25150 2761 1 5 . 1 1 15 15 LEU CA C 15 57.450 57.450 55.860 1.590 25150 2762 1 5 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.690 0.570 25150 2763 1 5 . 1 1 15 15 LEU H H 15 7.726 7.726 8.280 -0.554 25150 2764 1 5 . 1 1 16 16 GLN N N 16 115.381 115.381 119.665 -4.284 25150 2765 1 5 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.057 -0.079 25150 2766 1 5 . 1 1 16 16 GLN C C 16 177.950 177.950 178.256 -0.306 25150 2767 1 5 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.364 0.096 25150 2768 1 5 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.401 1.389 25150 2769 1 5 . 1 1 16 16 GLN H H 16 8.028 8.028 8.181 -0.153 25150 2770 1 5 . 1 1 17 17 ASN N N 17 114.975 114.975 117.314 -2.339 25150 2771 1 5 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.577 0.053 25150 2772 1 5 . 1 1 17 17 ASN C C 17 175.303 175.303 175.519 -0.216 25150 2773 1 5 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.026 -0.146 25150 2774 1 5 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.274 0.576 25150 2775 1 5 . 1 1 17 17 ASN H H 17 8.136 8.136 8.116 0.020 25150 2776 1 5 . 1 1 18 18 ASP N N 18 119.698 119.698 118.772 0.926 25150 2777 1 5 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.132 1.328 25150 2778 1 5 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.091 -0.581 25150 2779 1 5 . 1 1 18 18 ASP H H 18 8.218 8.218 7.946 0.272 25150 2780 1 5 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.276 0.039 25150 2781 1 5 . 1 1 21 21 PRO C C 21 177.867 177.867 177.489 0.378 25150 2782 1 5 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.217 -0.397 25150 2783 1 5 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.572 -0.002 25150 2784 1 5 . 1 1 22 22 GLY N N 22 111.293 111.293 111.408 -0.115 25150 2785 1 5 . 1 1 22 22 GLY C C 22 174.342 174.342 173.652 0.690 25150 2786 1 5 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.272 0.719 25150 2787 1 5 . 1 1 22 22 GLY H H 22 8.506 8.506 8.591 -0.085 25150 2788 1 5 . 1 1 23 23 MET N N 23 118.966 118.966 120.878 -1.912 25150 2789 1 5 . 1 1 23 23 MET HA H 23 5.699 5.699 5.183 0.516 25150 2790 1 5 . 1 1 23 23 MET C C 23 175.386 175.386 174.495 0.891 25150 2791 1 5 . 1 1 23 23 MET CA C 23 55.270 55.270 54.595 0.675 25150 2792 1 5 . 1 1 23 23 MET CB C 23 35.890 35.890 34.756 1.134 25150 2793 1 5 . 1 1 23 23 MET H H 23 8.017 8.017 8.096 -0.079 25150 2794 1 5 . 1 1 24 24 THR N N 24 112.647 112.647 123.766 -11.119 25150 2795 1 5 . 1 1 24 24 THR HA H 24 4.596 4.596 4.633 -0.037 25150 2796 1 5 . 1 1 24 24 THR C C 24 173.407 173.407 173.967 -0.560 25150 2797 1 5 . 1 1 24 24 THR CA C 24 60.850 60.850 61.937 -1.087 25150 2798 1 5 . 1 1 24 24 THR CB C 24 72.360 72.360 70.386 1.974 25150 2799 1 5 . 1 1 24 24 THR H H 24 8.565 8.565 8.942 -0.377 25150 2800 1 5 . 1 1 25 25 LEU N N 25 126.920 126.920 128.668 -1.748 25150 2801 1 5 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.629 -0.333 25150 2802 1 5 . 1 1 25 25 LEU C C 25 175.624 175.624 176.277 -0.653 25150 2803 1 5 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.587 1.583 25150 2804 1 5 . 1 1 25 25 LEU CB C 25 42.710 42.710 41.948 0.762 25150 2805 1 5 . 1 1 25 25 LEU H H 25 9.189 9.189 8.710 0.479 25150 2806 1 5 . 1 1 26 26 ASN N N 26 127.108 127.108 123.498 3.610 25150 2807 1 5 . 1 1 26 26 ASN C C 26 173.783 173.783 174.410 -0.627 25150 2808 1 5 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.704 2.396 25150 2809 1 5 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.185 0.185 25150 2810 1 5 . 1 1 26 26 ASN H H 26 9.000 9.000 8.668 0.332 25150 2811 1 5 . 1 1 27 27 GLU N N 27 108.990 108.990 122.738 -13.748 25150 2812 1 5 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.703 -0.093 25150 2813 1 5 . 1 1 27 27 GLU H H 27 7.631 7.631 8.594 -0.963 25150 2814 1 5 . 1 1 30 30 VAL C C 30 177.011 177.011 176.140 0.871 25150 2815 1 5 . 1 1 30 30 VAL CA C 30 55.230 55.230 61.478 -6.248 25150 2816 1 5 . 1 1 30 30 VAL CB C 30 30.860 30.860 32.676 -1.816 25150 2817 1 5 . 1 1 31 31 GLN N N 31 125.960 125.960 126.295 -0.335 25150 2818 1 5 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.420 0.010 25150 2819 1 5 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.667 0.463 25150 2820 1 5 . 1 1 31 31 GLN H H 31 7.880 7.880 8.876 -0.996 25150 2821 1 5 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.011 0.649 25150 2822 1 5 . 1 1 34 34 ILE C C 34 178.642 178.642 176.740 1.902 25150 2823 1 5 . 1 1 34 34 ILE CA C 34 54.970 54.970 62.429 -7.459 25150 2824 1 5 . 1 1 34 34 ILE CB C 34 42.000 42.000 37.906 4.094 25150 2825 1 5 . 1 1 35 35 THR N N 35 110.980 110.980 112.223 -1.243 25150 2826 1 5 . 1 1 35 35 THR CA C 35 61.070 61.070 63.472 -2.402 25150 2827 1 5 . 1 1 35 35 THR CB C 35 69.090 69.090 69.278 -0.188 25150 2828 1 5 . 1 1 35 35 THR H H 35 7.825 7.825 7.598 0.227 25150 2829 1 5 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.532 1.092 25150 2830 1 5 . 1 1 36 36 GLN C C 36 174.178 174.178 175.139 -0.961 25150 2831 1 5 . 1 1 36 36 GLN CA C 36 55.090 55.090 55.592 -0.502 25150 2832 1 5 . 1 1 36 36 GLN CB C 36 32.290 32.290 30.041 2.249 25150 2833 1 5 . 1 1 37 37 TRP N N 37 123.942 123.942 131.027 -7.085 25150 2834 1 5 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.040 0.536 25150 2835 1 5 . 1 1 37 37 TRP C C 37 174.959 174.959 173.900 1.059 25150 2836 1 5 . 1 1 37 37 TRP CA C 37 53.630 53.630 55.101 -1.471 25150 2837 1 5 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.254 1.696 25150 2838 1 5 . 1 1 37 37 TRP H H 37 9.242 9.242 8.790 0.452 25150 2839 1 5 . 1 1 38 38 ILE N N 38 121.559 121.559 129.528 -7.969 25150 2840 1 5 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.778 0.501 25150 2841 1 5 . 1 1 38 38 ILE CA C 38 59.430 59.430 61.432 -2.002 25150 2842 1 5 . 1 1 38 38 ILE CB C 38 39.240 39.240 38.682 0.558 25150 2843 1 5 . 1 1 38 38 ILE H H 38 8.778 8.778 8.704 0.074 25150 2844 1 5 . 1 1 39 39 VAL N N 39 128.719 128.719 128.471 0.248 25150 2845 1 5 . 1 1 39 39 VAL HA H 39 4.581 4.581 5.095 -0.514 25150 2846 1 5 . 1 1 39 39 VAL C C 39 175.175 175.175 174.754 0.421 25150 2847 1 5 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.431 0.819 25150 2848 1 5 . 1 1 39 39 VAL CB C 39 35.850 35.850 35.078 0.771 25150 2849 1 5 . 1 1 39 39 VAL H H 39 9.533 9.533 9.337 0.196 25150 2850 1 5 . 1 1 40 40 ASP N N 40 128.451 128.451 128.307 0.144 25150 2851 1 5 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.208 0.010 25150 2852 1 5 . 1 1 40 40 ASP C C 40 175.157 175.157 174.853 0.304 25150 2853 1 5 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.729 1.581 25150 2854 1 5 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.163 0.337 25150 2855 1 5 . 1 1 40 40 ASP H H 40 9.165 9.165 8.816 0.349 25150 2856 1 5 . 1 1 41 41 MET N N 41 120.544 120.544 125.821 -5.277 25150 2857 1 5 . 1 1 41 41 MET HA H 41 5.467 5.467 5.492 -0.025 25150 2858 1 5 . 1 1 41 41 MET C C 41 173.590 173.590 174.814 -1.224 25150 2859 1 5 . 1 1 41 41 MET CA C 41 54.610 54.610 54.386 0.224 25150 2860 1 5 . 1 1 41 41 MET CB C 41 37.490 37.490 35.807 1.683 25150 2861 1 5 . 1 1 41 41 MET H H 41 8.756 8.756 9.201 -0.445 25150 2862 1 5 . 1 1 42 42 GLU N N 42 125.740 125.740 127.264 -1.524 25150 2863 1 5 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.099 -0.089 25150 2864 1 5 . 1 1 42 42 GLU C C 42 177.323 177.323 177.554 -0.231 25150 2865 1 5 . 1 1 42 42 GLU CA C 42 54.480 54.480 55.703 -1.223 25150 2866 1 5 . 1 1 42 42 GLU CB C 42 32.260 32.260 31.649 0.611 25150 2867 1 5 . 1 1 42 42 GLU H H 42 8.706 8.706 8.606 0.100 25150 2868 1 5 . 1 1 43 43 GLY N N 43 111.314 111.314 109.145 2.169 25150 2869 1 5 . 1 1 43 43 GLY C C 43 174.121 174.121 173.599 0.522 25150 2870 1 5 . 1 1 43 43 GLY CA C 43 45.390 45.390 44.604 0.786 25150 2871 1 5 . 1 1 43 43 GLY H H 43 8.917 8.917 8.557 0.360 25150 2872 1 5 . 1 1 44 44 ALA N N 44 128.665 128.665 122.269 6.396 25150 2873 1 5 . 1 1 44 44 ALA CA C 44 51.060 51.060 49.888 1.172 25150 2874 1 5 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.515 -0.045 25150 2875 1 5 . 1 1 44 44 ALA H H 44 8.918 8.918 8.492 0.426 25150 2876 1 5 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.139 0.161 25150 2877 1 5 . 1 1 45 45 PRO C C 45 177.598 177.598 177.517 0.081 25150 2878 1 5 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.493 -1.083 25150 2879 1 5 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.291 0.499 25150 2880 1 5 . 1 1 46 46 GLY N N 46 111.319 111.319 113.593 -2.274 25150 2881 1 5 . 1 1 46 46 GLY C C 46 174.290 174.290 174.445 -0.155 25150 2882 1 5 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.339 0.571 25150 2883 1 5 . 1 1 46 46 GLY H H 46 9.449 9.449 9.615 -0.166 25150 2884 1 5 . 1 1 47 47 THR N N 47 107.981 107.981 112.279 -4.298 25150 2885 1 5 . 1 1 47 47 THR HA H 47 4.801 4.801 4.653 0.148 25150 2886 1 5 . 1 1 47 47 THR C C 47 176.158 176.158 176.133 0.025 25150 2887 1 5 . 1 1 47 47 THR CA C 47 60.380 60.380 59.791 0.589 25150 2888 1 5 . 1 1 47 47 THR CB C 47 73.420 73.420 71.925 1.495 25150 2889 1 5 . 1 1 47 47 THR H H 47 7.426 7.426 7.576 -0.150 25150 2890 1 5 . 1 1 48 48 LEU N N 48 119.132 119.132 120.333 -1.201 25150 2891 1 5 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.134 -0.077 25150 2892 1 5 . 1 1 48 48 LEU C C 48 175.907 175.907 177.164 -1.257 25150 2893 1 5 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.694 -0.204 25150 2894 1 5 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.104 0.516 25150 2895 1 5 . 1 1 48 48 LEU H H 48 8.966 8.966 8.812 0.154 25150 2896 1 5 . 1 1 49 49 TYR N N 49 113.649 113.649 114.753 -1.104 25150 2897 1 5 . 1 1 49 49 TYR HA H 49 4.825 4.825 5.030 -0.205 25150 2898 1 5 . 1 1 49 49 TYR C C 49 174.634 174.634 176.036 -1.402 25150 2899 1 5 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.943 -0.833 25150 2900 1 5 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.207 -0.817 25150 2901 1 5 . 1 1 49 49 TYR H H 49 7.205 7.205 7.885 -0.680 25150 2902 1 5 . 1 1 50 50 GLU N N 50 122.006 122.006 121.300 0.706 25150 2903 1 5 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.135 -0.658 25150 2904 1 5 . 1 1 50 50 GLU C C 50 177.182 177.182 177.289 -0.107 25150 2905 1 5 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.173 -0.073 25150 2906 1 5 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.765 0.275 25150 2907 1 5 . 1 1 50 50 GLU H H 50 6.934 6.934 7.554 -0.620 25150 2908 1 5 . 1 1 51 51 GLY N N 51 115.165 115.165 114.130 1.035 25150 2909 1 5 . 1 1 51 51 GLY C C 51 173.997 173.997 174.495 -0.498 25150 2910 1 5 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.966 0.534 25150 2911 1 5 . 1 1 51 51 GLY H H 51 8.752 8.752 8.600 0.152 25150 2912 1 5 . 1 1 52 52 GLU N N 52 120.251 120.251 121.974 -1.723 25150 2913 1 5 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.382 -0.412 25150 2914 1 5 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.598 0.842 25150 2915 1 5 . 1 1 52 52 GLU CB C 52 32.700 32.700 31.576 1.123 25150 2916 1 5 . 1 1 52 52 GLU H H 52 7.900 7.900 8.093 -0.193 25150 2917 1 5 . 1 1 53 53 LYS N N 53 120.435 120.435 122.212 -1.777 25150 2918 1 5 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.078 -0.392 25150 2919 1 5 . 1 1 53 53 LYS C C 53 175.285 175.285 174.896 0.389 25150 2920 1 5 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.346 0.034 25150 2921 1 5 . 1 1 53 53 LYS CB C 53 34.060 34.060 35.103 -1.043 25150 2922 1 5 . 1 1 53 53 LYS H H 53 8.046 8.046 7.972 0.074 25150 2923 1 5 . 1 1 54 54 PHE N N 54 122.724 122.724 123.332 -0.608 25150 2924 1 5 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.864 0.656 25150 2925 1 5 . 1 1 54 54 PHE C C 54 175.151 175.151 174.355 0.796 25150 2926 1 5 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.831 -2.141 25150 2927 1 5 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.696 0.904 25150 2928 1 5 . 1 1 54 54 PHE H H 54 9.082 9.082 9.120 -0.038 25150 2929 1 5 . 1 1 55 55 GLN N N 55 121.971 121.971 122.852 -0.881 25150 2930 1 5 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.494 -0.143 25150 2931 1 5 . 1 1 55 55 GLN C C 55 173.802 173.802 175.170 -1.368 25150 2932 1 5 . 1 1 55 55 GLN CA C 55 56.200 56.200 55.231 0.969 25150 2933 1 5 . 1 1 55 55 GLN CB C 55 34.320 34.320 30.958 3.362 25150 2934 1 5 . 1 1 55 55 GLN H H 55 10.001 10.001 9.133 0.868 25150 2935 1 5 . 1 1 56 56 LEU N N 56 124.898 124.898 122.056 2.842 25150 2936 1 5 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.177 -0.485 25150 2937 1 5 . 1 1 56 56 LEU C C 56 174.265 174.265 173.764 0.501 25150 2938 1 5 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.417 0.003 25150 2939 1 5 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.607 1.083 25150 2940 1 5 . 1 1 56 56 LEU H H 56 9.573 9.573 9.257 0.316 25150 2941 1 5 . 1 1 57 57 LEU N N 57 124.234 124.234 120.073 4.161 25150 2942 1 5 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.173 -0.003 25150 2943 1 5 . 1 1 57 57 LEU C C 57 174.551 174.551 174.567 -0.016 25150 2944 1 5 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.254 0.416 25150 2945 1 5 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.974 -0.454 25150 2946 1 5 . 1 1 57 57 LEU H H 57 8.890 8.890 8.728 0.162 25150 2947 1 5 . 1 1 58 58 PHE N N 58 124.003 124.003 127.024 -3.021 25150 2948 1 5 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.940 -0.190 25150 2949 1 5 . 1 1 58 58 PHE C C 58 174.407 174.407 175.366 -0.959 25150 2950 1 5 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.631 -0.631 25150 2951 1 5 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.295 2.645 25150 2952 1 5 . 1 1 58 58 PHE H H 58 9.134 9.134 9.217 -0.083 25150 2953 1 5 . 1 1 59 59 LYS N N 59 120.089 120.089 123.194 -3.105 25150 2954 1 5 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.888 -0.005 25150 2955 1 5 . 1 1 59 59 LYS C C 59 175.192 175.192 175.557 -0.365 25150 2956 1 5 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.823 -0.003 25150 2957 1 5 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.488 2.042 25150 2958 1 5 . 1 1 59 59 LYS H H 59 8.732 8.732 8.621 0.111 25150 2959 1 5 . 1 1 60 60 PHE N N 60 123.988 123.988 124.423 -0.435 25150 2960 1 5 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.491 -0.187 25150 2961 1 5 . 1 1 60 60 PHE C C 60 174.636 174.636 175.945 -1.309 25150 2962 1 5 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.776 -0.526 25150 2963 1 5 . 1 1 60 60 PHE CB C 60 41.160 41.160 39.922 1.238 25150 2964 1 5 . 1 1 60 60 PHE H H 60 8.649 8.649 8.396 0.253 25150 2965 1 5 . 1 1 61 61 SER N N 61 117.599 117.599 118.312 -0.713 25150 2966 1 5 . 1 1 61 61 SER C C 61 174.771 174.771 176.376 -1.605 25150 2967 1 5 . 1 1 61 61 SER CA C 61 57.130 57.130 57.579 -0.449 25150 2968 1 5 . 1 1 61 61 SER CB C 61 66.030 66.030 64.159 1.871 25150 2969 1 5 . 1 1 61 61 SER H H 61 8.066 8.066 8.700 -0.634 25150 2970 1 5 . 1 1 62 62 SER N N 62 119.994 119.994 123.002 -3.008 25150 2971 1 5 . 1 1 62 62 SER CA C 62 61.650 61.650 60.362 1.288 25150 2972 1 5 . 1 1 62 62 SER H H 62 8.265 8.265 8.902 -0.637 25150 2973 1 5 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.451 -0.001 25150 2974 1 5 . 1 1 63 63 ARG C C 63 175.086 175.086 176.348 -1.262 25150 2975 1 5 . 1 1 63 63 ARG CA C 63 57.670 57.670 55.354 2.316 25150 2976 1 5 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.779 -0.729 25150 2977 1 5 . 1 1 64 64 TYR N N 64 120.957 120.957 124.899 -3.942 25150 2978 1 5 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.462 1.218 25150 2979 1 5 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.740 -1.020 25150 2980 1 5 . 1 1 64 64 TYR H H 64 7.471 7.471 8.040 -0.569 25150 2981 1 5 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.985 -0.315 25150 2982 1 5 . 1 1 65 65 PRO C C 65 174.345 174.345 175.845 -1.500 25150 2983 1 5 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.611 0.849 25150 2984 1 5 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.688 2.682 25150 2985 1 5 . 1 1 66 66 PHE N N 66 126.070 126.070 121.240 4.830 25150 2986 1 5 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.311 -0.068 25150 2987 1 5 . 1 1 66 66 PHE C C 66 175.867 175.867 174.862 1.005 25150 2988 1 5 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.581 0.499 25150 2989 1 5 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.330 -1.320 25150 2990 1 5 . 1 1 66 66 PHE H H 66 8.630 8.630 8.250 0.380 25150 2991 1 5 . 1 1 67 67 ASP N N 67 118.021 118.021 118.292 -0.271 25150 2992 1 5 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.721 -0.762 25150 2993 1 5 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.363 -47.733 25150 2994 1 5 . 1 1 67 67 ASP CB C 67 34.840 34.840 41.830 -6.990 25150 2995 1 5 . 1 1 67 67 ASP H H 67 7.126 7.126 8.201 -1.075 25150 2996 1 5 . 1 1 68 68 SER N N 68 120.730 120.730 115.638 5.092 25150 2997 1 5 . 1 1 68 68 SER CA C 68 55.750 55.750 55.057 0.693 25150 2998 1 5 . 1 1 68 68 SER CB C 68 61.900 61.900 62.208 -0.308 25150 2999 1 5 . 1 1 68 68 SER H H 68 8.091 8.091 7.889 0.202 25150 3000 1 5 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.361 -0.005 25150 3001 1 5 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.152 -0.072 25150 3002 1 5 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.627 0.083 25150 3003 1 5 . 1 1 70 70 GLN N N 70 119.493 119.493 120.468 -0.975 25150 3004 1 5 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.328 -0.258 25150 3005 1 5 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.387 1.103 25150 3006 1 5 . 1 1 70 70 GLN H H 70 8.049 8.049 8.144 -0.095 25150 3007 1 5 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.243 0.157 25150 3008 1 5 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.739 -0.929 25150 3009 1 5 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.299 0.541 25150 3010 1 5 . 1 1 72 72 MET N N 72 120.767 120.767 122.736 -1.969 25150 3011 1 5 . 1 1 72 72 MET HA H 72 4.731 4.731 4.823 -0.092 25150 3012 1 5 . 1 1 72 72 MET C C 72 174.779 174.779 174.813 -0.034 25150 3013 1 5 . 1 1 72 72 MET CA C 72 54.390 54.390 53.830 0.560 25150 3014 1 5 . 1 1 72 72 MET CB C 72 36.140 36.140 37.795 -1.655 25150 3015 1 5 . 1 1 72 72 MET H H 72 8.245 8.245 8.152 0.093 25150 3016 1 5 . 1 1 73 73 PHE N N 73 120.458 120.458 120.452 0.006 25150 3017 1 5 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.710 0.504 25150 3018 1 5 . 1 1 73 73 PHE C C 73 175.404 175.404 176.180 -0.776 25150 3019 1 5 . 1 1 73 73 PHE CA C 73 59.580 59.580 59.272 0.308 25150 3020 1 5 . 1 1 73 73 PHE CB C 73 40.620 40.620 39.892 0.728 25150 3021 1 5 . 1 1 73 73 PHE H H 73 9.193 9.193 8.815 0.378 25150 3022 1 5 . 1 1 74 74 THR N N 74 113.842 113.842 115.555 -1.713 25150 3023 1 5 . 1 1 74 74 THR HA H 74 4.777 4.777 4.684 0.093 25150 3024 1 5 . 1 1 74 74 THR C C 74 173.551 173.551 173.535 0.016 25150 3025 1 5 . 1 1 74 74 THR CA C 74 59.580 59.580 60.877 -1.296 25150 3026 1 5 . 1 1 74 74 THR CB C 74 71.300 71.300 71.239 0.061 25150 3027 1 5 . 1 1 74 74 THR H H 74 8.894 8.894 8.765 0.129 25150 3028 1 5 . 1 1 75 75 GLY N N 75 109.259 109.259 113.006 -3.747 25150 3029 1 5 . 1 1 75 75 GLY C C 75 173.980 173.980 173.628 0.352 25150 3030 1 5 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.712 -0.002 25150 3031 1 5 . 1 1 75 75 GLY H H 75 8.058 8.058 7.994 0.064 25150 3032 1 5 . 1 1 76 76 GLU N N 76 116.661 116.661 119.774 -3.113 25150 3033 1 5 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.388 -0.247 25150 3034 1 5 . 1 1 76 76 GLU C C 76 176.624 176.624 176.036 0.588 25150 3035 1 5 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.526 1.514 25150 3036 1 5 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.992 0.918 25150 3037 1 5 . 1 1 76 76 GLU H H 76 8.356 8.356 8.428 -0.072 25150 3038 1 5 . 1 1 77 77 ASN N N 77 118.469 118.469 118.589 -0.120 25150 3039 1 5 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.940 0.170 25150 3040 1 5 . 1 1 77 77 ASN C C 77 176.525 176.525 173.455 3.070 25150 3041 1 5 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.684 -0.444 25150 3042 1 5 . 1 1 77 77 ASN CB C 77 39.710 39.710 38.937 0.773 25150 3043 1 5 . 1 1 77 77 ASN H H 77 8.614 8.614 8.188 0.426 25150 3044 1 5 . 1 1 78 78 ILE N N 78 117.605 117.605 124.114 -6.509 25150 3045 1 5 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.602 2.788 25150 3046 1 5 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.452 4.188 25150 3047 1 5 . 1 1 78 78 ILE H H 78 7.736 7.736 8.284 -0.548 25150 3048 1 5 . 1 1 79 79 PRO C C 79 176.134 176.134 175.347 0.787 25150 3049 1 5 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.753 1.077 25150 3050 1 5 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.674 -0.514 25150 3051 1 5 . 1 1 80 80 VAL N N 80 123.378 123.378 120.277 3.101 25150 3052 1 5 . 1 1 80 80 VAL CA C 80 62.830 62.830 61.905 0.925 25150 3053 1 5 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.572 -2.652 25150 3054 1 5 . 1 1 80 80 VAL H H 80 8.297 8.297 8.277 0.020 25150 3055 1 5 . 1 1 82 82 PRO C C 82 176.169 176.169 176.572 -0.403 25150 3056 1 5 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.786 -0.076 25150 3057 1 5 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.676 -0.006 25150 3058 1 5 . 1 1 83 83 HIS N N 83 121.199 121.199 114.435 6.764 25150 3059 1 5 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.665 0.176 25150 3060 1 5 . 1 1 83 83 HIS C C 83 173.457 173.457 174.137 -0.680 25150 3061 1 5 . 1 1 83 83 HIS CA C 83 54.680 54.680 56.053 -1.373 25150 3062 1 5 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.620 0.610 25150 3063 1 5 . 1 1 83 83 HIS H H 83 10.996 10.996 8.739 2.257 25150 3064 1 5 . 1 1 84 84 VAL N N 84 121.050 121.050 120.790 0.260 25150 3065 1 5 . 1 1 84 84 VAL HA H 84 4.777 4.777 5.043 -0.266 25150 3066 1 5 . 1 1 84 84 VAL C C 84 175.155 175.155 174.701 0.454 25150 3067 1 5 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.769 0.331 25150 3068 1 5 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.037 0.073 25150 3069 1 5 . 1 1 84 84 VAL H H 84 8.058 8.058 7.735 0.323 25150 3070 1 5 . 1 1 85 85 TYR N N 85 126.195 126.195 125.100 1.095 25150 3071 1 5 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.718 -0.033 25150 3072 1 5 . 1 1 85 85 TYR C C 85 179.268 179.268 177.402 1.866 25150 3073 1 5 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.370 2.020 25150 3074 1 5 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.253 1.017 25150 3075 1 5 . 1 1 85 85 TYR H H 85 9.136 9.136 9.109 0.027 25150 3076 1 5 . 1 1 86 86 SER N N 86 115.546 115.546 117.076 -1.530 25150 3077 1 5 . 1 1 86 86 SER HA H 86 3.935 3.935 4.146 -0.211 25150 3078 1 5 . 1 1 86 86 SER C C 86 174.309 174.309 174.313 -0.004 25150 3079 1 5 . 1 1 86 86 SER CA C 86 61.890 61.890 60.466 1.424 25150 3080 1 5 . 1 1 86 86 SER CB C 86 62.230 62.230 63.194 -0.964 25150 3081 1 5 . 1 1 86 86 SER H H 86 10.052 10.052 8.738 1.314 25150 3082 1 5 . 1 1 87 87 ASN N N 87 116.470 116.470 116.182 0.288 25150 3083 1 5 . 1 1 87 87 ASN C C 87 175.624 175.624 176.483 -0.859 25150 3084 1 5 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.359 -0.019 25150 3085 1 5 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.648 -0.158 25150 3086 1 5 . 1 1 87 87 ASN H H 87 7.331 7.331 7.835 -0.504 25150 3087 1 5 . 1 1 88 88 GLY N N 88 108.412 108.412 107.763 0.649 25150 3088 1 5 . 1 1 88 88 GLY C C 88 174.247 174.247 174.339 -0.092 25150 3089 1 5 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.237 0.673 25150 3090 1 5 . 1 1 88 88 GLY H H 88 8.737 8.737 8.296 0.441 25150 3091 1 5 . 1 1 89 89 HIS N N 89 119.508 119.508 122.420 -2.912 25150 3092 1 5 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.583 -1.283 25150 3093 1 5 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.572 1.288 25150 3094 1 5 . 1 1 89 89 HIS H H 89 7.494 7.494 8.735 -1.241 25150 3095 1 5 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.670 -0.256 25150 3096 1 5 . 1 1 90 90 ILE C C 90 174.510 174.510 175.299 -0.789 25150 3097 1 5 . 1 1 90 90 ILE CA C 90 58.320 58.320 59.976 -1.656 25150 3098 1 5 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.158 0.121 25150 3099 1 5 . 1 1 91 91 CYS N N 91 123.587 123.587 129.006 -5.419 25150 3100 1 5 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.673 4.907 25150 3101 1 5 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.578 6.811 25150 3102 1 5 . 1 1 91 91 CYS H H 91 7.304 7.304 8.873 -1.569 25150 3103 1 5 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.753 -0.083 25150 3104 1 5 . 1 1 92 92 LEU C C 92 175.822 175.822 176.624 -0.802 25150 3105 1 5 . 1 1 92 92 LEU CA C 92 59.460 59.460 54.736 4.724 25150 3106 1 5 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.755 -4.335 25150 3107 1 5 . 1 1 93 93 SER N N 93 111.707 111.707 123.426 -11.719 25150 3108 1 5 . 1 1 93 93 SER HA H 93 4.331 4.331 4.322 0.009 25150 3109 1 5 . 1 1 93 93 SER C C 93 177.433 177.433 176.031 1.402 25150 3110 1 5 . 1 1 93 93 SER CA C 93 62.150 62.150 60.615 1.535 25150 3111 1 5 . 1 1 93 93 SER H H 93 9.037 9.037 8.819 0.218 25150 3112 1 5 . 1 1 94 94 ILE N N 94 118.993 118.993 121.873 -2.880 25150 3113 1 5 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.786 169.752 25150 3114 1 5 . 1 1 94 94 ILE CA C 94 64.310 64.310 64.281 0.029 25150 3115 1 5 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.763 0.137 25150 3116 1 5 . 1 1 94 94 ILE H H 94 7.859 7.859 8.140 -0.281 25150 3117 1 5 . 1 1 95 95 LEU N N 95 113.763 113.763 117.002 -3.239 25150 3118 1 5 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.427 0.225 25150 3119 1 5 . 1 1 95 95 LEU C C 95 178.458 178.458 177.165 1.293 25150 3120 1 5 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.963 -0.633 25150 3121 1 5 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.394 0.686 25150 3122 1 5 . 1 1 95 95 LEU H H 95 7.351 7.351 7.847 -0.496 25150 3123 1 5 . 1 1 96 96 THR N N 96 109.929 109.929 112.076 -2.147 25150 3124 1 5 . 1 1 96 96 THR HA H 96 4.338 4.338 4.593 -0.255 25150 3125 1 5 . 1 1 96 96 THR C C 96 175.947 175.947 176.545 -0.598 25150 3126 1 5 . 1 1 96 96 THR CA C 96 60.960 60.960 62.537 -1.577 25150 3127 1 5 . 1 1 96 96 THR CB C 96 69.280 69.280 69.189 0.091 25150 3128 1 5 . 1 1 96 96 THR H H 96 7.794 7.794 7.868 -0.074 25150 3129 1 5 . 1 1 97 97 GLU N N 97 123.314 123.314 120.891 2.423 25150 3130 1 5 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.142 0.175 25150 3131 1 5 . 1 1 97 97 GLU C C 97 176.907 176.907 177.139 -0.232 25150 3132 1 5 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.841 -0.161 25150 3133 1 5 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.485 1.305 25150 3134 1 5 . 1 1 97 97 GLU H H 97 8.913 8.913 8.497 0.416 25150 3135 1 5 . 1 1 98 98 ASP N N 98 116.420 116.420 117.187 -0.767 25150 3136 1 5 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.012 0.178 25150 3137 1 5 . 1 1 98 98 ASP CB C 98 41.500 41.500 40.895 0.605 25150 3138 1 5 . 1 1 98 98 ASP H H 98 8.124 8.124 7.983 0.141 25150 3139 1 5 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.654 -0.234 25150 3140 1 5 . 1 1 99 99 TRP C C 99 176.495 176.495 175.603 0.892 25150 3141 1 5 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.221 0.209 25150 3142 1 5 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.274 -0.694 25150 3143 1 5 . 1 1 100 100 SER N N 100 120.993 120.993 120.928 0.065 25150 3144 1 5 . 1 1 100 100 SER CA C 100 55.370 55.370 53.873 1.497 25150 3145 1 5 . 1 1 100 100 SER CB C 100 64.860 64.860 64.268 0.592 25150 3146 1 5 . 1 1 100 100 SER H H 100 5.703 5.703 7.307 -1.604 25150 3147 1 5 . 1 1 101 101 PRO HA H 101 4.193 4.193 3.901 0.292 25150 3148 1 5 . 1 1 101 101 PRO C C 101 175.227 175.227 176.681 -1.454 25150 3149 1 5 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.264 -0.564 25150 3150 1 5 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.741 -0.321 25150 3151 1 5 . 1 1 102 102 ALA N N 102 118.668 118.668 120.076 -1.408 25150 3152 1 5 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.216 -0.122 25150 3153 1 5 . 1 1 102 102 ALA C C 102 178.797 178.797 177.299 1.498 25150 3154 1 5 . 1 1 102 102 ALA CA C 102 52.830 52.830 51.999 0.831 25150 3155 1 5 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.732 0.278 25150 3156 1 5 . 1 1 102 102 ALA H H 102 7.290 7.290 7.350 -0.060 25150 3157 1 5 . 1 1 103 103 LEU N N 103 119.365 119.365 121.183 -1.818 25150 3158 1 5 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.588 -0.378 25150 3159 1 5 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.648 -0.938 25150 3160 1 5 . 1 1 103 103 LEU H H 103 7.263 7.263 7.088 0.175 25150 3161 1 5 . 1 1 104 104 SER HA H 104 4.381 4.381 4.620 -0.239 25150 3162 1 5 . 1 1 104 104 SER C C 104 175.278 175.278 175.659 -0.381 25150 3163 1 5 . 1 1 104 104 SER CA C 104 56.500 56.500 56.945 -0.445 25150 3164 1 5 . 1 1 104 104 SER CB C 104 66.770 66.770 65.428 1.342 25150 3165 1 5 . 1 1 105 105 VAL N N 105 123.025 123.025 122.324 0.701 25150 3166 1 5 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.406 0.206 25150 3167 1 5 . 1 1 105 105 VAL C C 105 179.053 179.053 177.219 1.834 25150 3168 1 5 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.641 1.429 25150 3169 1 5 . 1 1 105 105 VAL CB C 105 31.620 31.620 30.873 0.747 25150 3170 1 5 . 1 1 105 105 VAL H H 105 9.841 9.841 9.258 0.583 25150 3171 1 5 . 1 1 106 106 GLN N N 106 121.218 121.218 120.116 1.102 25150 3172 1 5 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.912 -0.057 25150 3173 1 5 . 1 1 106 106 GLN C C 106 177.698 177.698 178.386 -0.688 25150 3174 1 5 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.326 1.804 25150 3175 1 5 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.403 -0.173 25150 3176 1 5 . 1 1 106 106 GLN H H 106 9.109 9.109 8.463 0.646 25150 3177 1 5 . 1 1 107 107 SER N N 107 115.531 115.531 116.319 -0.788 25150 3178 1 5 . 1 1 107 107 SER C C 107 177.828 177.828 176.791 1.037 25150 3179 1 5 . 1 1 107 107 SER CA C 107 62.500 62.500 62.462 0.038 25150 3180 1 5 . 1 1 107 107 SER CB C 107 62.670 62.670 62.818 -0.148 25150 3181 1 5 . 1 1 107 107 SER H H 107 8.209 8.209 8.045 0.164 25150 3182 1 5 . 1 1 108 108 VAL N N 108 123.756 123.756 122.349 1.407 25150 3183 1 5 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.679 -0.018 25150 3184 1 5 . 1 1 108 108 VAL C C 108 178.087 178.087 177.717 0.370 25150 3185 1 5 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.769 0.201 25150 3186 1 5 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.824 -0.114 25150 3187 1 5 . 1 1 108 108 VAL H H 108 8.256 8.256 7.917 0.339 25150 3188 1 5 . 1 1 109 109 CYS N N 109 118.175 118.175 118.119 0.056 25150 3189 1 5 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.151 -0.216 25150 3190 1 5 . 1 1 109 109 CYS C C 109 176.918 176.918 176.990 -0.072 25150 3191 1 5 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.534 1.356 25150 3192 1 5 . 1 1 109 109 CYS CB C 109 27.800 27.800 27.054 0.746 25150 3193 1 5 . 1 1 109 109 CYS H H 109 8.781 8.781 8.178 0.603 25150 3194 1 5 . 1 1 110 110 LEU N N 110 118.491 118.491 120.945 -2.454 25150 3195 1 5 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.033 0.077 25150 3196 1 5 . 1 1 110 110 LEU C C 110 180.150 180.150 179.116 1.034 25150 3197 1 5 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.954 0.526 25150 3198 1 5 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.450 -0.440 25150 3199 1 5 . 1 1 110 110 LEU H H 110 8.543 8.543 8.642 -0.099 25150 3200 1 5 . 1 1 111 111 SER N N 111 117.917 117.917 116.465 1.452 25150 3201 1 5 . 1 1 111 111 SER C C 111 177.009 177.009 176.638 0.371 25150 3202 1 5 . 1 1 111 111 SER CA C 111 63.050 63.050 62.684 0.366 25150 3203 1 5 . 1 1 111 111 SER CB C 111 62.980 62.980 62.767 0.212 25150 3204 1 5 . 1 1 111 111 SER H H 111 8.181 8.181 8.195 -0.014 25150 3205 1 5 . 1 1 112 112 ILE N N 112 124.764 124.764 123.277 1.487 25150 3206 1 5 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.667 0.006 25150 3207 1 5 . 1 1 112 112 ILE C C 112 177.441 177.441 177.951 -0.510 25150 3208 1 5 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.274 0.156 25150 3209 1 5 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.888 0.062 25150 3210 1 5 . 1 1 112 112 ILE H H 112 8.249 8.249 8.018 0.231 25150 3211 1 5 . 1 1 113 113 ILE N N 113 121.123 121.123 120.284 0.839 25150 3212 1 5 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.538 0.058 25150 3213 1 5 . 1 1 113 113 ILE C C 113 179.525 179.525 178.219 1.306 25150 3214 1 5 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.467 0.793 25150 3215 1 5 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.700 1.079 25150 3216 1 5 . 1 1 113 113 ILE H H 113 8.415 8.415 8.213 0.202 25150 3217 1 5 . 1 1 114 114 SER N N 114 115.247 115.247 115.312 -0.065 25150 3218 1 5 . 1 1 114 114 SER HA H 114 4.300 4.300 4.158 0.142 25150 3219 1 5 . 1 1 114 114 SER C C 114 176.915 176.915 176.499 0.416 25150 3220 1 5 . 1 1 114 114 SER CA C 114 61.510 61.510 61.825 -0.315 25150 3221 1 5 . 1 1 114 114 SER CB C 114 62.990 62.990 63.169 -0.179 25150 3222 1 5 . 1 1 114 114 SER H H 114 8.241 8.241 8.022 0.219 25150 3223 1 5 . 1 1 115 115 MET N N 115 122.921 122.921 122.178 0.743 25150 3224 1 5 . 1 1 115 115 MET C C 115 179.552 179.552 178.890 0.662 25150 3225 1 5 . 1 1 115 115 MET CA C 115 59.030 59.030 59.289 -0.259 25150 3226 1 5 . 1 1 115 115 MET CB C 115 33.040 33.040 32.520 0.520 25150 3227 1 5 . 1 1 115 115 MET H H 115 8.216 8.216 8.153 0.063 25150 3228 1 5 . 1 1 116 116 LEU N N 116 120.553 120.553 117.044 3.509 25150 3229 1 5 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.031 0.046 25150 3230 1 5 . 1 1 116 116 LEU C C 116 179.264 179.264 178.026 1.238 25150 3231 1 5 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.162 1.608 25150 3232 1 5 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.428 -0.798 25150 3233 1 5 . 1 1 116 116 LEU H H 116 7.981 7.981 7.698 0.283 25150 3234 1 5 . 1 1 117 117 SER N N 117 114.100 114.100 111.626 2.474 25150 3235 1 5 . 1 1 117 117 SER HA H 117 4.342 4.342 4.625 -0.283 25150 3236 1 5 . 1 1 117 117 SER C C 117 175.042 175.042 176.088 -1.046 25150 3237 1 5 . 1 1 117 117 SER CA C 117 61.700 61.700 59.813 1.887 25150 3238 1 5 . 1 1 117 117 SER CB C 117 63.120 63.120 64.766 -1.647 25150 3239 1 5 . 1 1 117 117 SER H H 117 8.467 8.467 7.918 0.549 25150 3240 1 5 . 1 1 118 118 SER N N 118 113.628 113.628 117.977 -4.349 25150 3241 1 5 . 1 1 118 118 SER HA H 118 4.485 4.485 4.507 -0.022 25150 3242 1 5 . 1 1 118 118 SER C C 118 174.142 174.142 175.464 -1.322 25150 3243 1 5 . 1 1 118 118 SER CA C 118 59.000 59.000 60.322 -1.322 25150 3244 1 5 . 1 1 118 118 SER CB C 118 64.040 64.040 64.269 -0.229 25150 3245 1 5 . 1 1 118 118 SER H H 118 8.037 8.037 8.651 -0.614 25150 3246 1 5 . 1 1 119 119 CYS N N 119 122.293 122.293 120.972 1.321 25150 3247 1 5 . 1 1 119 119 CYS CA C 119 59.190 59.190 58.349 0.841 25150 3248 1 5 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.438 -0.168 25150 3249 1 5 . 1 1 119 119 CYS H H 119 7.250 7.250 8.086 -0.836 25150 3250 1 5 . 1 1 120 120 LYS HA H 120 4.540 4.540 3.973 0.567 25150 3251 1 5 . 1 1 120 120 LYS C C 120 176.345 176.345 176.053 0.292 25150 3252 1 5 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.445 7.605 25150 3253 1 5 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.430 1.120 25150 3254 1 5 . 1 1 121 121 GLU N N 121 120.936 120.936 119.955 0.981 25150 3255 1 5 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.299 -0.070 25150 3256 1 5 . 1 1 121 121 GLU C C 121 174.053 174.053 176.353 -2.300 25150 3257 1 5 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.073 0.117 25150 3258 1 5 . 1 1 121 121 GLU CB C 121 32.690 32.690 29.987 2.703 25150 3259 1 5 . 1 1 121 121 GLU H H 121 7.700 7.700 8.054 -0.354 25150 3260 1 5 . 1 1 122 122 LYS N N 122 127.472 127.472 124.482 2.990 25150 3261 1 5 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.292 -0.430 25150 3262 1 5 . 1 1 122 122 LYS C C 122 174.440 174.440 176.808 -2.368 25150 3263 1 5 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.068 2.212 25150 3264 1 5 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.762 -0.352 25150 3265 1 5 . 1 1 122 122 LYS H H 122 8.890 8.890 8.613 0.277 25150 3266 1 5 . 1 1 123 123 ARG N N 123 123.268 123.268 121.963 1.305 25150 3267 1 5 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.264 0.006 25150 3268 1 5 . 1 1 123 123 ARG C C 123 172.653 172.653 175.950 -3.297 25150 3269 1 5 . 1 1 123 123 ARG CA C 123 54.580 54.580 56.028 -1.448 25150 3270 1 5 . 1 1 123 123 ARG CB C 123 32.230 32.230 30.755 1.475 25150 3271 1 5 . 1 1 123 123 ARG H H 123 6.841 6.841 7.674 -0.833 25150 3272 1 5 . 1 1 124 124 ARG N N 124 116.787 116.787 125.995 -9.208 25150 3273 1 5 . 1 1 124 124 ARG CA C 124 54.710 54.710 53.520 1.190 25150 3274 1 5 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.372 -0.291 25150 3275 1 5 . 1 1 124 124 ARG H H 124 8.044 8.044 8.376 -0.332 25150 3276 1 5 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.995 -0.195 25150 3277 1 5 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.702 0.078 25150 3278 1 5 . 1 1 127 127 ASP N N 127 115.165 115.165 112.844 2.321 25150 3279 1 5 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.743 0.381 25150 3280 1 5 . 1 1 127 127 ASP C C 127 172.871 172.871 176.585 -3.714 25150 3281 1 5 . 1 1 127 127 ASP CA C 127 52.670 52.670 52.289 0.381 25150 3282 1 5 . 1 1 127 127 ASP CB C 127 39.140 39.140 39.080 0.060 25150 3283 1 5 . 1 1 127 127 ASP H H 127 8.711 8.711 8.421 0.289 25150 3284 1 5 . 1 1 128 128 ASN N N 128 127.858 127.858 120.387 7.471 25150 3285 1 5 . 1 1 128 128 ASN CA C 128 56.480 56.480 56.808 -0.328 25150 3286 1 5 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.862 -0.302 25150 3287 1 5 . 1 1 128 128 ASN H H 128 8.502 8.502 8.210 0.292 25150 3288 1 5 . 1 1 129 129 SER C C 129 176.346 176.346 176.495 -0.149 25150 3289 1 5 . 1 1 129 129 SER CA C 129 62.330 62.330 60.955 1.375 25150 3290 1 5 . 1 1 130 130 PHE N N 130 121.897 121.897 124.591 -2.694 25150 3291 1 5 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.213 -0.093 25150 3292 1 5 . 1 1 130 130 PHE C C 130 177.740 177.740 177.185 0.555 25150 3293 1 5 . 1 1 130 130 PHE CA C 130 60.960 60.960 60.941 0.019 25150 3294 1 5 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.067 0.693 25150 3295 1 5 . 1 1 130 130 PHE H H 130 8.022 8.022 7.831 0.191 25150 3296 1 5 . 1 1 131 131 TYR N N 131 122.173 122.173 121.417 0.756 25150 3297 1 5 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.078 -0.332 25150 3298 1 5 . 1 1 131 131 TYR C C 131 178.140 178.140 177.414 0.726 25150 3299 1 5 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.447 0.843 25150 3300 1 5 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.560 0.980 25150 3301 1 5 . 1 1 131 131 TYR H H 131 8.871 8.871 8.593 0.278 25150 3302 1 5 . 1 1 132 132 VAL N N 132 116.993 116.993 117.528 -0.535 25150 3303 1 5 . 1 1 132 132 VAL C C 132 178.082 178.082 178.582 -0.500 25150 3304 1 5 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.156 0.174 25150 3305 1 5 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.492 -0.042 25150 3306 1 5 . 1 1 132 132 VAL H H 132 8.551 8.551 8.126 0.425 25150 3307 1 5 . 1 1 133 133 ARG N N 133 118.860 118.860 119.301 -0.441 25150 3308 1 5 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.883 0.097 25150 3309 1 5 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.405 -0.155 25150 3310 1 5 . 1 1 133 133 ARG H H 133 7.545 7.545 8.179 -0.634 25150 3311 1 5 . 1 1 134 134 THR CA C 134 62.280 62.280 60.146 2.134 25150 3312 1 5 . 1 1 134 134 THR CB C 134 69.790 69.790 68.457 1.333 25150 3313 1 5 . 1 1 135 135 CYS N N 135 125.959 125.959 122.794 3.165 25150 3314 1 5 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.221 -0.461 25150 3315 1 5 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.128 11.882 25150 3316 1 5 . 1 1 135 135 CYS H H 135 7.881 7.881 7.295 0.586 25150 3317 1 5 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.777 -0.767 25150 3318 1 5 . 1 1 136 136 ASN C C 136 177.768 177.768 174.251 3.517 25150 3319 1 5 . 1 1 136 136 ASN CA C 136 54.160 54.160 52.627 1.533 25150 3320 1 5 . 1 1 136 136 ASN CB C 136 38.470 38.470 39.815 -1.345 25150 3321 1 5 . 1 1 137 137 LYS N N 137 119.224 119.224 121.117 -1.893 25150 3322 1 5 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.137 0.059 25150 3323 1 5 . 1 1 137 137 LYS C C 137 176.185 176.185 175.856 0.329 25150 3324 1 5 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.596 0.384 25150 3325 1 5 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.730 0.140 25150 3326 1 5 . 1 1 137 137 LYS H H 137 7.678 7.678 8.442 -0.764 25150 3327 1 5 . 1 1 138 138 ASN N N 138 117.174 117.174 124.423 -7.249 25150 3328 1 5 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.601 -0.071 25150 3329 1 5 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.492 0.448 25150 3330 1 5 . 1 1 138 138 ASN H H 138 7.969 7.969 8.503 -0.534 25150 3331 1 5 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.503 -0.105 25150 3332 1 5 . 1 1 139 139 PRO C C 139 177.335 177.335 176.087 1.248 25150 3333 1 5 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.721 1.129 25150 3334 1 5 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.401 -0.291 25150 3335 1 5 . 1 1 140 140 LYS N N 140 118.218 118.218 122.109 -3.891 25150 3336 1 5 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.172 28.478 25150 3337 1 5 . 1 1 140 140 LYS C C 140 176.564 176.564 176.747 -0.183 25150 3338 1 5 . 1 1 140 140 LYS CA C 140 56.990 56.990 56.454 0.536 25150 3339 1 5 . 1 1 140 140 LYS H H 140 8.108 8.108 8.367 -0.259 25150 3340 1 5 . 1 1 141 141 LYS N N 141 119.276 119.276 125.427 -6.151 25150 3341 1 5 . 1 1 141 141 LYS C C 141 177.924 177.924 176.709 1.215 25150 3342 1 5 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.184 -0.084 25150 3343 1 5 . 1 1 141 141 LYS CB C 141 29.780 29.780 33.130 -3.350 25150 3344 1 5 . 1 1 141 141 LYS H H 141 8.135 8.135 8.424 -0.289 25150 3345 1 5 . 1 1 142 142 THR N N 142 115.380 115.380 119.568 -4.188 25150 3346 1 5 . 1 1 142 142 THR CA C 142 61.850 61.850 62.593 -0.743 25150 3347 1 5 . 1 1 142 142 THR CB C 142 69.660 69.660 69.820 -0.160 25150 3348 1 5 . 1 1 142 142 THR H H 142 8.030 8.030 8.621 -0.591 25150 3349 1 5 . 1 1 143 143 LYS C C 143 178.955 178.955 176.289 2.666 25150 3350 1 5 . 1 1 144 144 TRP N N 144 120.470 120.470 123.304 -2.834 25150 3351 1 5 . 1 1 144 144 TRP C C 144 176.557 176.557 176.088 0.469 25150 3352 1 5 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.818 0.052 25150 3353 1 5 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.938 3.062 25150 3354 1 5 . 1 1 144 144 TRP H H 144 8.094 8.094 7.748 0.346 25150 3355 1 5 . 1 1 145 145 TRP N N 145 120.330 120.330 130.603 -10.273 25150 3356 1 5 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.877 1.242 25150 3357 1 5 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.520 2.330 25150 3358 1 5 . 1 1 145 145 TRP H H 145 8.488 8.488 7.995 0.493 25150 3359 1 5 . 1 1 146 146 TYR C C 146 174.706 174.706 174.477 0.229 25150 3360 1 5 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.708 -0.278 25150 3361 1 5 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.784 -0.044 25150 3362 1 5 . 1 1 147 147 HIS N N 147 121.604 121.604 125.221 -3.617 25150 3363 1 5 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.141 0.045 25150 3364 1 5 . 1 1 147 147 HIS C C 147 176.874 176.874 174.297 2.577 25150 3365 1 5 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.563 -0.323 25150 3366 1 5 . 1 1 147 147 HIS CB C 147 31.200 31.200 29.570 1.631 25150 3367 1 5 . 1 1 147 147 HIS H H 147 7.886 7.886 7.572 0.314 25150 3368 1 5 . 1 1 148 148 ASP N N 148 122.629 122.629 126.472 -3.843 25150 3369 1 5 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.424 0.120 25150 3370 1 5 . 1 1 148 148 ASP C C 148 175.661 175.661 175.682 -0.021 25150 3371 1 5 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.343 -0.163 25150 3372 1 5 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.196 0.484 25150 3373 1 5 . 1 1 148 148 ASP H H 148 8.109 8.109 7.914 0.195 25150 3374 1 5 . 1 1 149 149 ASP N N 149 121.321 121.321 121.075 0.246 25150 3375 1 5 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.518 0.136 25150 3376 1 5 . 1 1 149 149 ASP C C 149 176.551 176.551 176.716 -0.165 25150 3377 1 5 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.245 -0.635 25150 3378 1 5 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.245 0.115 25150 3379 1 5 . 1 1 149 149 ASP H H 149 8.395 8.395 8.572 -0.177 25150 3380 1 5 . 1 1 150 150 THR N N 150 113.450 113.450 113.365 0.085 25150 3381 1 5 . 1 1 150 150 THR HA H 150 4.296 4.296 4.379 -0.083 25150 3382 1 5 . 1 1 150 150 THR C C 150 173.994 173.994 174.996 -1.002 25150 3383 1 5 . 1 1 150 150 THR CA C 150 62.310 62.310 62.697 -0.387 25150 3384 1 5 . 1 1 150 150 THR CB C 150 69.870 69.870 69.283 0.587 25150 3385 1 5 . 1 1 150 150 THR H H 150 8.259 8.259 8.291 -0.032 25150 3386 1 6 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.274 0.020 25150 3387 1 6 . 1 1 6 6 LYS C C 6 176.970 176.970 179.030 -2.060 25150 3388 1 6 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.591 -1.221 25150 3389 1 6 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.311 0.169 25150 3390 1 6 . 1 1 7 7 ARG N N 7 119.704 119.704 120.309 -0.605 25150 3391 1 6 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.109 0.089 25150 3392 1 6 . 1 1 7 7 ARG C C 7 178.270 178.270 178.611 -0.341 25150 3393 1 6 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.383 -0.353 25150 3394 1 6 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.290 -1.730 25150 3395 1 6 . 1 1 7 7 ARG H H 7 8.599 8.599 7.993 0.606 25150 3396 1 6 . 1 1 8 8 LEU N N 8 119.704 119.704 120.718 -1.014 25150 3397 1 6 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.151 -0.061 25150 3398 1 6 . 1 1 8 8 LEU C C 8 178.980 178.980 178.550 0.430 25150 3399 1 6 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.209 0.081 25150 3400 1 6 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.723 0.337 25150 3401 1 6 . 1 1 8 8 LEU H H 8 8.599 8.599 8.394 0.205 25150 3402 1 6 . 1 1 9 9 GLN N N 9 117.512 117.512 117.926 -0.414 25150 3403 1 6 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.824 0.213 25150 3404 1 6 . 1 1 9 9 GLN C C 9 178.610 178.610 178.601 0.009 25150 3405 1 6 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.457 -0.147 25150 3406 1 6 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.441 0.039 25150 3407 1 6 . 1 1 9 9 GLN H H 9 8.066 8.066 8.328 -0.262 25150 3408 1 6 . 1 1 10 10 LYS N N 10 119.556 119.556 120.009 -0.453 25150 3409 1 6 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.965 0.115 25150 3410 1 6 . 1 1 10 10 LYS C C 10 180.040 180.040 179.207 0.833 25150 3411 1 6 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.811 -0.131 25150 3412 1 6 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.308 0.152 25150 3413 1 6 . 1 1 10 10 LYS H H 10 7.678 7.678 8.231 -0.553 25150 3414 1 6 . 1 1 11 11 GLU N N 11 120.347 120.347 119.896 0.451 25150 3415 1 6 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.037 0.139 25150 3416 1 6 . 1 1 11 11 GLU C C 11 178.770 178.770 178.916 -0.146 25150 3417 1 6 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.505 1.535 25150 3418 1 6 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.697 0.963 25150 3419 1 6 . 1 1 11 11 GLU H H 11 8.533 8.533 8.245 0.288 25150 3420 1 6 . 1 1 12 12 LEU N N 12 123.285 123.285 120.521 2.764 25150 3421 1 6 . 1 1 12 12 LEU C C 12 178.570 178.570 179.193 -0.623 25150 3422 1 6 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.948 0.172 25150 3423 1 6 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.738 -0.658 25150 3424 1 6 . 1 1 12 12 LEU H H 12 8.685 8.685 8.430 0.255 25150 3425 1 6 . 1 1 13 13 LEU N N 13 118.881 118.881 118.237 0.644 25150 3426 1 6 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.950 0.047 25150 3427 1 6 . 1 1 13 13 LEU C C 13 179.260 179.260 178.811 0.449 25150 3428 1 6 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.445 0.455 25150 3429 1 6 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.332 0.558 25150 3430 1 6 . 1 1 13 13 LEU H H 13 7.588 7.588 8.222 -0.634 25150 3431 1 6 . 1 1 14 14 ALA N N 14 120.667 120.667 122.747 -2.080 25150 3432 1 6 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.046 0.144 25150 3433 1 6 . 1 1 14 14 ALA C C 14 176.270 176.270 179.668 -3.398 25150 3434 1 6 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.277 -0.087 25150 3435 1 6 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.383 -0.353 25150 3436 1 6 . 1 1 14 14 ALA H H 14 7.617 7.617 8.313 -0.696 25150 3437 1 6 . 1 1 15 15 LEU N N 15 119.965 119.965 117.138 2.827 25150 3438 1 6 . 1 1 15 15 LEU CA C 15 57.450 57.450 55.395 2.055 25150 3439 1 6 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.481 0.779 25150 3440 1 6 . 1 1 15 15 LEU H H 15 7.726 7.726 8.055 -0.329 25150 3441 1 6 . 1 1 16 16 GLN N N 16 115.381 115.381 119.602 -4.221 25150 3442 1 6 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.026 -0.048 25150 3443 1 6 . 1 1 16 16 GLN C C 16 177.950 177.950 178.112 -0.162 25150 3444 1 6 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.296 0.164 25150 3445 1 6 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.517 1.274 25150 3446 1 6 . 1 1 16 16 GLN H H 16 8.028 8.028 8.118 -0.090 25150 3447 1 6 . 1 1 17 17 ASN N N 17 114.975 114.975 117.246 -2.271 25150 3448 1 6 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.577 0.053 25150 3449 1 6 . 1 1 17 17 ASN C C 17 175.303 175.303 175.481 -0.178 25150 3450 1 6 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.987 -0.107 25150 3451 1 6 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.301 0.549 25150 3452 1 6 . 1 1 17 17 ASN H H 17 8.136 8.136 8.112 0.024 25150 3453 1 6 . 1 1 18 18 ASP N N 18 119.698 119.698 118.719 0.979 25150 3454 1 6 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.156 1.304 25150 3455 1 6 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.085 -0.575 25150 3456 1 6 . 1 1 18 18 ASP H H 18 8.218 8.218 7.925 0.293 25150 3457 1 6 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.326 -0.011 25150 3458 1 6 . 1 1 21 21 PRO C C 21 177.867 177.867 177.598 0.269 25150 3459 1 6 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.068 -0.248 25150 3460 1 6 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.727 -0.157 25150 3461 1 6 . 1 1 22 22 GLY N N 22 111.293 111.293 111.727 -0.434 25150 3462 1 6 . 1 1 22 22 GLY C C 22 174.342 174.342 173.522 0.820 25150 3463 1 6 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.154 0.836 25150 3464 1 6 . 1 1 22 22 GLY H H 22 8.506 8.506 8.725 -0.219 25150 3465 1 6 . 1 1 23 23 MET N N 23 118.966 118.966 120.352 -1.386 25150 3466 1 6 . 1 1 23 23 MET HA H 23 5.699 5.699 5.451 0.248 25150 3467 1 6 . 1 1 23 23 MET C C 23 175.386 175.386 174.444 0.942 25150 3468 1 6 . 1 1 23 23 MET CA C 23 55.270 55.270 54.579 0.691 25150 3469 1 6 . 1 1 23 23 MET CB C 23 35.890 35.890 36.066 -0.176 25150 3470 1 6 . 1 1 23 23 MET H H 23 8.017 8.017 8.014 0.003 25150 3471 1 6 . 1 1 24 24 THR N N 24 112.647 112.647 122.967 -10.320 25150 3472 1 6 . 1 1 24 24 THR HA H 24 4.596 4.596 4.654 -0.058 25150 3473 1 6 . 1 1 24 24 THR C C 24 173.407 173.407 172.959 0.448 25150 3474 1 6 . 1 1 24 24 THR CA C 24 60.850 60.850 61.580 -0.730 25150 3475 1 6 . 1 1 24 24 THR CB C 24 72.360 72.360 70.820 1.540 25150 3476 1 6 . 1 1 24 24 THR H H 24 8.565 8.565 8.884 -0.319 25150 3477 1 6 . 1 1 25 25 LEU N N 25 126.920 126.920 129.004 -2.084 25150 3478 1 6 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.533 -0.237 25150 3479 1 6 . 1 1 25 25 LEU C C 25 175.624 175.624 175.234 0.390 25150 3480 1 6 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.611 1.559 25150 3481 1 6 . 1 1 25 25 LEU CB C 25 42.710 42.710 42.856 -0.146 25150 3482 1 6 . 1 1 25 25 LEU H H 25 9.189 9.189 8.700 0.489 25150 3483 1 6 . 1 1 26 26 ASN N N 26 127.108 127.108 125.979 1.129 25150 3484 1 6 . 1 1 26 26 ASN C C 26 173.783 173.783 174.124 -0.341 25150 3485 1 6 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.413 2.687 25150 3486 1 6 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.663 -0.293 25150 3487 1 6 . 1 1 26 26 ASN H H 26 9.000 9.000 8.740 0.260 25150 3488 1 6 . 1 1 27 27 GLU N N 27 108.990 108.990 126.051 -17.061 25150 3489 1 6 . 1 1 27 27 GLU CA C 27 56.610 56.610 57.602 -0.993 25150 3490 1 6 . 1 1 27 27 GLU H H 27 7.631 7.631 8.767 -1.136 25150 3491 1 6 . 1 1 30 30 VAL C C 30 177.011 177.011 176.643 0.368 25150 3492 1 6 . 1 1 30 30 VAL CA C 30 55.230 55.230 60.332 -5.102 25150 3493 1 6 . 1 1 30 30 VAL CB C 30 30.860 30.860 35.245 -4.385 25150 3494 1 6 . 1 1 31 31 GLN N N 31 125.960 125.960 122.752 3.208 25150 3495 1 6 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.178 0.252 25150 3496 1 6 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.099 1.031 25150 3497 1 6 . 1 1 31 31 GLN H H 31 7.880 7.880 8.889 -1.009 25150 3498 1 6 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.398 0.262 25150 3499 1 6 . 1 1 34 34 ILE C C 34 178.642 178.642 174.714 3.928 25150 3500 1 6 . 1 1 34 34 ILE CA C 34 54.970 54.970 59.938 -4.968 25150 3501 1 6 . 1 1 34 34 ILE CB C 34 42.000 42.000 41.548 0.452 25150 3502 1 6 . 1 1 35 35 THR N N 35 110.980 110.980 118.285 -7.305 25150 3503 1 6 . 1 1 35 35 THR CA C 35 61.070 61.070 62.557 -1.487 25150 3504 1 6 . 1 1 35 35 THR CB C 35 69.090 69.090 67.346 1.744 25150 3505 1 6 . 1 1 35 35 THR H H 35 7.825 7.825 8.758 -0.933 25150 3506 1 6 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.454 0.170 25150 3507 1 6 . 1 1 36 36 GLN C C 36 174.178 174.178 175.228 -1.050 25150 3508 1 6 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.417 0.673 25150 3509 1 6 . 1 1 36 36 GLN CB C 36 32.290 32.290 33.021 -0.731 25150 3510 1 6 . 1 1 37 37 TRP N N 37 123.942 123.942 119.928 4.014 25150 3511 1 6 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.063 0.513 25150 3512 1 6 . 1 1 37 37 TRP C C 37 174.959 174.959 173.210 1.749 25150 3513 1 6 . 1 1 37 37 TRP CA C 37 53.630 53.630 56.440 -2.810 25150 3514 1 6 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.368 1.582 25150 3515 1 6 . 1 1 37 37 TRP H H 37 9.242 9.242 8.643 0.599 25150 3516 1 6 . 1 1 38 38 ILE N N 38 121.559 121.559 120.255 1.304 25150 3517 1 6 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.221 0.058 25150 3518 1 6 . 1 1 38 38 ILE CA C 38 59.430 59.430 59.873 -0.443 25150 3519 1 6 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.990 -1.750 25150 3520 1 6 . 1 1 38 38 ILE H H 38 8.778 8.778 8.687 0.091 25150 3521 1 6 . 1 1 39 39 VAL N N 39 128.719 128.719 127.664 1.055 25150 3522 1 6 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.980 -0.399 25150 3523 1 6 . 1 1 39 39 VAL C C 39 175.175 175.175 175.211 -0.036 25150 3524 1 6 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.545 0.705 25150 3525 1 6 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.249 1.601 25150 3526 1 6 . 1 1 39 39 VAL H H 39 9.533 9.533 9.203 0.330 25150 3527 1 6 . 1 1 40 40 ASP N N 40 128.451 128.451 128.871 -0.420 25150 3528 1 6 . 1 1 40 40 ASP HA H 40 5.218 5.218 4.968 0.250 25150 3529 1 6 . 1 1 40 40 ASP C C 40 175.157 175.157 174.878 0.279 25150 3530 1 6 . 1 1 40 40 ASP CA C 40 55.310 55.310 54.303 1.007 25150 3531 1 6 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.726 -0.226 25150 3532 1 6 . 1 1 40 40 ASP H H 40 9.165 9.165 8.806 0.358 25150 3533 1 6 . 1 1 41 41 MET N N 41 120.544 120.544 123.049 -2.505 25150 3534 1 6 . 1 1 41 41 MET HA H 41 5.467 5.467 5.527 -0.060 25150 3535 1 6 . 1 1 41 41 MET C C 41 173.590 173.590 174.168 -0.578 25150 3536 1 6 . 1 1 41 41 MET CA C 41 54.610 54.610 54.432 0.178 25150 3537 1 6 . 1 1 41 41 MET CB C 41 37.490 37.490 37.206 0.284 25150 3538 1 6 . 1 1 41 41 MET H H 41 8.756 8.756 8.785 -0.029 25150 3539 1 6 . 1 1 42 42 GLU N N 42 125.740 125.740 127.398 -1.658 25150 3540 1 6 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.410 -0.400 25150 3541 1 6 . 1 1 42 42 GLU C C 42 177.323 177.323 177.046 0.277 25150 3542 1 6 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.298 0.182 25150 3543 1 6 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.263 -1.003 25150 3544 1 6 . 1 1 42 42 GLU H H 42 8.706 8.706 8.548 0.158 25150 3545 1 6 . 1 1 43 43 GLY N N 43 111.314 111.314 113.003 -1.689 25150 3546 1 6 . 1 1 43 43 GLY C C 43 174.121 174.121 173.544 0.577 25150 3547 1 6 . 1 1 43 43 GLY CA C 43 45.390 45.390 44.991 0.399 25150 3548 1 6 . 1 1 43 43 GLY H H 43 8.917 8.917 8.768 0.149 25150 3549 1 6 . 1 1 44 44 ALA N N 44 128.665 128.665 126.280 2.385 25150 3550 1 6 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.347 0.713 25150 3551 1 6 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.690 -0.220 25150 3552 1 6 . 1 1 44 44 ALA H H 44 8.918 8.918 8.618 0.300 25150 3553 1 6 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.128 0.172 25150 3554 1 6 . 1 1 45 45 PRO C C 45 177.598 177.598 177.556 0.042 25150 3555 1 6 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.545 -1.135 25150 3556 1 6 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.295 0.495 25150 3557 1 6 . 1 1 46 46 GLY N N 46 111.319 111.319 113.307 -1.988 25150 3558 1 6 . 1 1 46 46 GLY C C 46 174.290 174.290 174.712 -0.422 25150 3559 1 6 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.261 0.649 25150 3560 1 6 . 1 1 46 46 GLY H H 46 9.449 9.449 9.322 0.127 25150 3561 1 6 . 1 1 47 47 THR N N 47 107.981 107.981 112.344 -4.363 25150 3562 1 6 . 1 1 47 47 THR HA H 47 4.801 4.801 4.582 0.219 25150 3563 1 6 . 1 1 47 47 THR C C 47 176.158 176.158 175.937 0.221 25150 3564 1 6 . 1 1 47 47 THR CA C 47 60.380 60.380 60.107 0.273 25150 3565 1 6 . 1 1 47 47 THR CB C 47 73.420 73.420 71.214 2.206 25150 3566 1 6 . 1 1 47 47 THR H H 47 7.426 7.426 7.487 -0.061 25150 3567 1 6 . 1 1 48 48 LEU N N 48 119.132 119.132 120.520 -1.388 25150 3568 1 6 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.110 -0.053 25150 3569 1 6 . 1 1 48 48 LEU C C 48 175.907 175.907 177.112 -1.205 25150 3570 1 6 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.702 -0.211 25150 3571 1 6 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.228 0.392 25150 3572 1 6 . 1 1 48 48 LEU H H 48 8.966 8.966 8.874 0.092 25150 3573 1 6 . 1 1 49 49 TYR N N 49 113.649 113.649 114.744 -1.095 25150 3574 1 6 . 1 1 49 49 TYR HA H 49 4.825 4.825 5.046 -0.221 25150 3575 1 6 . 1 1 49 49 TYR C C 49 174.634 174.634 175.631 -0.997 25150 3576 1 6 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.121 -0.011 25150 3577 1 6 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.744 -0.354 25150 3578 1 6 . 1 1 49 49 TYR H H 49 7.205 7.205 7.736 -0.531 25150 3579 1 6 . 1 1 50 50 GLU N N 50 122.006 122.006 122.464 -0.458 25150 3580 1 6 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.160 -0.683 25150 3581 1 6 . 1 1 50 50 GLU C C 50 177.182 177.182 177.779 -0.597 25150 3582 1 6 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.101 -0.001 25150 3583 1 6 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.737 1.303 25150 3584 1 6 . 1 1 50 50 GLU H H 50 6.934 6.934 7.605 -0.671 25150 3585 1 6 . 1 1 51 51 GLY N N 51 115.165 115.165 115.755 -0.590 25150 3586 1 6 . 1 1 51 51 GLY C C 51 173.997 173.997 174.321 -0.324 25150 3587 1 6 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.990 0.510 25150 3588 1 6 . 1 1 51 51 GLY H H 51 8.752 8.752 8.732 0.020 25150 3589 1 6 . 1 1 52 52 GLU N N 52 120.251 120.251 121.138 -0.887 25150 3590 1 6 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.315 -0.345 25150 3591 1 6 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.746 0.694 25150 3592 1 6 . 1 1 52 52 GLU CB C 52 32.700 32.700 31.010 1.690 25150 3593 1 6 . 1 1 52 52 GLU H H 52 7.900 7.900 8.248 -0.348 25150 3594 1 6 . 1 1 53 53 LYS N N 53 120.435 120.435 122.868 -2.433 25150 3595 1 6 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.021 -0.335 25150 3596 1 6 . 1 1 53 53 LYS C C 53 175.285 175.285 176.010 -0.725 25150 3597 1 6 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.336 0.044 25150 3598 1 6 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.891 0.169 25150 3599 1 6 . 1 1 53 53 LYS H H 53 8.046 8.046 8.321 -0.275 25150 3600 1 6 . 1 1 54 54 PHE N N 54 122.724 122.724 126.857 -4.133 25150 3601 1 6 . 1 1 54 54 PHE HA H 54 5.520 5.520 5.013 0.507 25150 3602 1 6 . 1 1 54 54 PHE C C 54 175.151 175.151 174.697 0.454 25150 3603 1 6 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.980 -2.289 25150 3604 1 6 . 1 1 54 54 PHE CB C 54 43.600 43.600 38.972 4.628 25150 3605 1 6 . 1 1 54 54 PHE H H 54 9.082 9.082 8.966 0.116 25150 3606 1 6 . 1 1 55 55 GLN N N 55 121.971 121.971 121.016 0.955 25150 3607 1 6 . 1 1 55 55 GLN HA H 55 5.351 5.351 4.609 0.742 25150 3608 1 6 . 1 1 55 55 GLN C C 55 173.802 173.802 175.293 -1.491 25150 3609 1 6 . 1 1 55 55 GLN CA C 55 56.200 56.200 56.190 0.010 25150 3610 1 6 . 1 1 55 55 GLN CB C 55 34.320 34.320 29.578 4.742 25150 3611 1 6 . 1 1 55 55 GLN H H 55 10.001 10.001 8.405 1.596 25150 3612 1 6 . 1 1 56 56 LEU N N 56 124.898 124.898 122.871 2.027 25150 3613 1 6 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.060 -0.368 25150 3614 1 6 . 1 1 56 56 LEU C C 56 174.265 174.265 174.922 -0.657 25150 3615 1 6 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.061 0.359 25150 3616 1 6 . 1 1 56 56 LEU CB C 56 46.690 46.690 46.158 0.532 25150 3617 1 6 . 1 1 56 56 LEU H H 56 9.573 9.573 9.006 0.567 25150 3618 1 6 . 1 1 57 57 LEU N N 57 124.234 124.234 122.792 1.442 25150 3619 1 6 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.005 0.165 25150 3620 1 6 . 1 1 57 57 LEU C C 57 174.551 174.551 174.551 0.000 25150 3621 1 6 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.250 0.420 25150 3622 1 6 . 1 1 57 57 LEU CB C 57 45.520 45.520 43.825 1.695 25150 3623 1 6 . 1 1 57 57 LEU H H 57 8.890 8.890 8.758 0.132 25150 3624 1 6 . 1 1 58 58 PHE N N 58 124.003 124.003 127.089 -3.086 25150 3625 1 6 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.355 -0.605 25150 3626 1 6 . 1 1 58 58 PHE C C 58 174.407 174.407 174.029 0.378 25150 3627 1 6 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.408 0.592 25150 3628 1 6 . 1 1 58 58 PHE CB C 58 42.940 42.940 42.271 0.669 25150 3629 1 6 . 1 1 58 58 PHE H H 58 9.134 9.134 8.808 0.326 25150 3630 1 6 . 1 1 59 59 LYS N N 59 120.089 120.089 121.772 -1.683 25150 3631 1 6 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.946 -0.063 25150 3632 1 6 . 1 1 59 59 LYS C C 59 175.192 175.192 174.862 0.330 25150 3633 1 6 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.705 0.115 25150 3634 1 6 . 1 1 59 59 LYS CB C 59 35.530 35.530 36.573 -1.043 25150 3635 1 6 . 1 1 59 59 LYS H H 59 8.732 8.732 8.347 0.385 25150 3636 1 6 . 1 1 60 60 PHE N N 60 123.988 123.988 125.257 -1.269 25150 3637 1 6 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.667 -0.363 25150 3638 1 6 . 1 1 60 60 PHE C C 60 174.636 174.636 175.435 -0.799 25150 3639 1 6 . 1 1 60 60 PHE CA C 60 57.250 57.250 55.862 1.388 25150 3640 1 6 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.377 0.783 25150 3641 1 6 . 1 1 60 60 PHE H H 60 8.649 8.649 8.138 0.511 25150 3642 1 6 . 1 1 61 61 SER N N 61 117.599 117.599 118.673 -1.074 25150 3643 1 6 . 1 1 61 61 SER C C 61 174.771 174.771 175.435 -0.664 25150 3644 1 6 . 1 1 61 61 SER CA C 61 57.130 57.130 57.255 -0.125 25150 3645 1 6 . 1 1 61 61 SER CB C 61 66.030 66.030 65.271 0.759 25150 3646 1 6 . 1 1 61 61 SER H H 61 8.066 8.066 8.567 -0.501 25150 3647 1 6 . 1 1 62 62 SER N N 62 119.994 119.994 115.072 4.922 25150 3648 1 6 . 1 1 62 62 SER CA C 62 61.650 61.650 59.724 1.926 25150 3649 1 6 . 1 1 62 62 SER H H 62 8.265 8.265 8.787 -0.522 25150 3650 1 6 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.541 -0.091 25150 3651 1 6 . 1 1 63 63 ARG C C 63 175.086 175.086 176.679 -1.593 25150 3652 1 6 . 1 1 63 63 ARG CA C 63 57.670 57.670 54.703 2.967 25150 3653 1 6 . 1 1 63 63 ARG CB C 63 30.050 30.050 31.483 -1.433 25150 3654 1 6 . 1 1 64 64 TYR N N 64 120.957 120.957 126.317 -5.360 25150 3655 1 6 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.935 0.745 25150 3656 1 6 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.014 -0.294 25150 3657 1 6 . 1 1 64 64 TYR H H 64 7.471 7.471 8.132 -0.661 25150 3658 1 6 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.921 -0.251 25150 3659 1 6 . 1 1 65 65 PRO C C 65 174.345 174.345 176.661 -2.316 25150 3660 1 6 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.280 1.180 25150 3661 1 6 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.983 2.388 25150 3662 1 6 . 1 1 66 66 PHE N N 66 126.070 126.070 122.245 3.825 25150 3663 1 6 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.265 -0.022 25150 3664 1 6 . 1 1 66 66 PHE C C 66 175.867 175.867 174.819 1.048 25150 3665 1 6 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.474 -0.394 25150 3666 1 6 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.547 -1.537 25150 3667 1 6 . 1 1 66 66 PHE H H 66 8.630 8.630 8.186 0.444 25150 3668 1 6 . 1 1 67 67 ASP N N 67 118.021 118.021 117.341 0.680 25150 3669 1 6 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.638 -0.679 25150 3670 1 6 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.388 -47.758 25150 3671 1 6 . 1 1 67 67 ASP CB C 67 34.840 34.840 43.200 -8.360 25150 3672 1 6 . 1 1 67 67 ASP H H 67 7.126 7.126 8.399 -1.273 25150 3673 1 6 . 1 1 68 68 SER N N 68 120.730 120.730 116.307 4.423 25150 3674 1 6 . 1 1 68 68 SER CA C 68 55.750 55.750 55.698 0.052 25150 3675 1 6 . 1 1 68 68 SER CB C 68 61.900 61.900 62.496 -0.596 25150 3676 1 6 . 1 1 68 68 SER H H 68 8.091 8.091 8.037 0.054 25150 3677 1 6 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.618 -0.262 25150 3678 1 6 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.441 -0.361 25150 3679 1 6 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.986 -0.276 25150 3680 1 6 . 1 1 70 70 GLN N N 70 119.493 119.493 120.659 -1.166 25150 3681 1 6 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.249 -0.179 25150 3682 1 6 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.688 0.802 25150 3683 1 6 . 1 1 70 70 GLN H H 70 8.049 8.049 8.523 -0.474 25150 3684 1 6 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.332 0.068 25150 3685 1 6 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.665 -0.855 25150 3686 1 6 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.104 -0.264 25150 3687 1 6 . 1 1 72 72 MET N N 72 120.767 120.767 122.965 -2.198 25150 3688 1 6 . 1 1 72 72 MET HA H 72 4.731 4.731 5.200 -0.469 25150 3689 1 6 . 1 1 72 72 MET C C 72 174.779 174.779 174.849 -0.070 25150 3690 1 6 . 1 1 72 72 MET CA C 72 54.390 54.390 53.484 0.906 25150 3691 1 6 . 1 1 72 72 MET CB C 72 36.140 36.140 37.736 -1.596 25150 3692 1 6 . 1 1 72 72 MET H H 72 8.245 8.245 8.462 -0.217 25150 3693 1 6 . 1 1 73 73 PHE N N 73 120.458 120.458 123.598 -3.140 25150 3694 1 6 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.589 0.625 25150 3695 1 6 . 1 1 73 73 PHE C C 73 175.404 175.404 175.409 -0.005 25150 3696 1 6 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.410 1.170 25150 3697 1 6 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.154 0.466 25150 3698 1 6 . 1 1 73 73 PHE H H 73 9.193 9.193 8.582 0.611 25150 3699 1 6 . 1 1 74 74 THR N N 74 113.842 113.842 124.236 -10.394 25150 3700 1 6 . 1 1 74 74 THR HA H 74 4.777 4.777 4.281 0.496 25150 3701 1 6 . 1 1 74 74 THR C C 74 173.551 173.551 172.491 1.060 25150 3702 1 6 . 1 1 74 74 THR CA C 74 59.580 59.580 61.773 -2.193 25150 3703 1 6 . 1 1 74 74 THR CB C 74 71.300 71.300 69.327 1.973 25150 3704 1 6 . 1 1 74 74 THR H H 74 8.894 8.894 8.004 0.890 25150 3705 1 6 . 1 1 75 75 GLY N N 75 109.259 109.259 112.806 -3.547 25150 3706 1 6 . 1 1 75 75 GLY C C 75 173.980 173.980 173.551 0.429 25150 3707 1 6 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.018 -0.308 25150 3708 1 6 . 1 1 75 75 GLY H H 75 8.058 8.058 7.874 0.184 25150 3709 1 6 . 1 1 76 76 GLU N N 76 116.661 116.661 119.542 -2.881 25150 3710 1 6 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.284 -0.143 25150 3711 1 6 . 1 1 76 76 GLU C C 76 176.624 176.624 176.112 0.512 25150 3712 1 6 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.953 1.087 25150 3713 1 6 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.003 0.907 25150 3714 1 6 . 1 1 76 76 GLU H H 76 8.356 8.356 8.682 -0.326 25150 3715 1 6 . 1 1 77 77 ASN N N 77 118.469 118.469 117.770 0.699 25150 3716 1 6 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.832 0.278 25150 3717 1 6 . 1 1 77 77 ASN C C 77 176.525 176.525 174.078 2.447 25150 3718 1 6 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.672 -0.432 25150 3719 1 6 . 1 1 77 77 ASN CB C 77 39.710 39.710 38.542 1.168 25150 3720 1 6 . 1 1 77 77 ASN H H 77 8.614 8.614 8.260 0.354 25150 3721 1 6 . 1 1 78 78 ILE N N 78 117.605 117.605 124.793 -7.188 25150 3722 1 6 . 1 1 78 78 ILE CA C 78 59.390 59.390 59.088 0.302 25150 3723 1 6 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.454 4.186 25150 3724 1 6 . 1 1 78 78 ILE H H 78 7.736 7.736 8.208 -0.472 25150 3725 1 6 . 1 1 79 79 PRO C C 79 176.134 176.134 175.851 0.283 25150 3726 1 6 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.874 -0.044 25150 3727 1 6 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.995 -0.836 25150 3728 1 6 . 1 1 80 80 VAL N N 80 123.378 123.378 124.078 -0.700 25150 3729 1 6 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.856 -0.026 25150 3730 1 6 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.546 -1.626 25150 3731 1 6 . 1 1 80 80 VAL H H 80 8.297 8.297 8.554 -0.257 25150 3732 1 6 . 1 1 82 82 PRO C C 82 176.169 176.169 176.689 -0.520 25150 3733 1 6 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.892 -0.182 25150 3734 1 6 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.781 -0.111 25150 3735 1 6 . 1 1 83 83 HIS N N 83 121.199 121.199 113.970 7.229 25150 3736 1 6 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.844 -0.003 25150 3737 1 6 . 1 1 83 83 HIS C C 83 173.457 173.457 174.108 -0.651 25150 3738 1 6 . 1 1 83 83 HIS CA C 83 54.680 54.680 56.180 -1.500 25150 3739 1 6 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.440 0.790 25150 3740 1 6 . 1 1 83 83 HIS H H 83 10.996 10.996 8.786 2.210 25150 3741 1 6 . 1 1 84 84 VAL N N 84 121.050 121.050 121.366 -0.316 25150 3742 1 6 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.639 0.138 25150 3743 1 6 . 1 1 84 84 VAL C C 84 175.155 175.155 174.597 0.558 25150 3744 1 6 . 1 1 84 84 VAL CA C 84 61.100 61.100 61.325 -0.225 25150 3745 1 6 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.083 1.027 25150 3746 1 6 . 1 1 84 84 VAL H H 84 8.058 8.058 7.580 0.478 25150 3747 1 6 . 1 1 85 85 TYR N N 85 126.195 126.195 125.678 0.517 25150 3748 1 6 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.775 -0.090 25150 3749 1 6 . 1 1 85 85 TYR C C 85 179.268 179.268 177.353 1.915 25150 3750 1 6 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.405 1.985 25150 3751 1 6 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.657 0.613 25150 3752 1 6 . 1 1 85 85 TYR H H 85 9.136 9.136 9.126 0.010 25150 3753 1 6 . 1 1 86 86 SER N N 86 115.546 115.546 117.231 -1.685 25150 3754 1 6 . 1 1 86 86 SER HA H 86 3.935 3.935 4.313 -0.378 25150 3755 1 6 . 1 1 86 86 SER C C 86 174.309 174.309 174.844 -0.535 25150 3756 1 6 . 1 1 86 86 SER CA C 86 61.890 61.890 60.664 1.226 25150 3757 1 6 . 1 1 86 86 SER CB C 86 62.230 62.230 62.673 -0.443 25150 3758 1 6 . 1 1 86 86 SER H H 86 10.052 10.052 8.876 1.176 25150 3759 1 6 . 1 1 87 87 ASN N N 87 116.470 116.470 118.269 -1.799 25150 3760 1 6 . 1 1 87 87 ASN C C 87 175.624 175.624 175.410 0.214 25150 3761 1 6 . 1 1 87 87 ASN CA C 87 52.340 52.340 53.151 -0.812 25150 3762 1 6 . 1 1 87 87 ASN CB C 87 37.490 37.490 38.603 -1.113 25150 3763 1 6 . 1 1 87 87 ASN H H 87 7.331 7.331 8.538 -1.207 25150 3764 1 6 . 1 1 88 88 GLY N N 88 108.412 108.412 107.948 0.464 25150 3765 1 6 . 1 1 88 88 GLY C C 88 174.247 174.247 173.446 0.801 25150 3766 1 6 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.296 0.614 25150 3767 1 6 . 1 1 88 88 GLY H H 88 8.737 8.737 8.187 0.550 25150 3768 1 6 . 1 1 89 89 HIS N N 89 119.508 119.508 122.185 -2.677 25150 3769 1 6 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.280 -0.980 25150 3770 1 6 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.362 1.498 25150 3771 1 6 . 1 1 89 89 HIS H H 89 7.494 7.494 8.164 -0.670 25150 3772 1 6 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.723 -0.309 25150 3773 1 6 . 1 1 90 90 ILE C C 90 174.510 174.510 175.564 -1.054 25150 3774 1 6 . 1 1 90 90 ILE CA C 90 58.320 58.320 58.605 -0.285 25150 3775 1 6 . 1 1 90 90 ILE CB C 90 39.280 39.280 37.319 1.961 25150 3776 1 6 . 1 1 91 91 CYS N N 91 123.587 123.587 128.173 -4.586 25150 3777 1 6 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.285 5.295 25150 3778 1 6 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.459 6.931 25150 3779 1 6 . 1 1 91 91 CYS H H 91 7.304 7.304 8.953 -1.649 25150 3780 1 6 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.718 -0.048 25150 3781 1 6 . 1 1 92 92 LEU C C 92 175.822 175.822 177.720 -1.898 25150 3782 1 6 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.661 5.799 25150 3783 1 6 . 1 1 92 92 LEU CB C 92 41.420 41.420 43.660 -2.240 25150 3784 1 6 . 1 1 93 93 SER N N 93 111.707 111.707 119.769 -8.062 25150 3785 1 6 . 1 1 93 93 SER HA H 93 4.331 4.331 4.302 0.029 25150 3786 1 6 . 1 1 93 93 SER C C 93 177.433 177.433 176.042 1.391 25150 3787 1 6 . 1 1 93 93 SER CA C 93 62.150 62.150 60.950 1.200 25150 3788 1 6 . 1 1 93 93 SER H H 93 9.037 9.037 9.091 -0.054 25150 3789 1 6 . 1 1 94 94 ILE N N 94 118.993 118.993 115.988 3.005 25150 3790 1 6 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.953 169.585 25150 3791 1 6 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.749 1.561 25150 3792 1 6 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.098 0.802 25150 3793 1 6 . 1 1 94 94 ILE H H 94 7.859 7.859 7.737 0.122 25150 3794 1 6 . 1 1 95 95 LEU N N 95 113.763 113.763 118.912 -5.149 25150 3795 1 6 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.513 0.139 25150 3796 1 6 . 1 1 95 95 LEU C C 95 178.458 178.458 177.609 0.849 25150 3797 1 6 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.805 -0.475 25150 3798 1 6 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.841 0.239 25150 3799 1 6 . 1 1 95 95 LEU H H 95 7.351 7.351 8.008 -0.657 25150 3800 1 6 . 1 1 96 96 THR N N 96 109.929 109.929 112.395 -2.466 25150 3801 1 6 . 1 1 96 96 THR HA H 96 4.338 4.338 4.463 -0.125 25150 3802 1 6 . 1 1 96 96 THR C C 96 175.947 175.947 176.242 -0.295 25150 3803 1 6 . 1 1 96 96 THR CA C 96 60.960 60.960 63.060 -2.100 25150 3804 1 6 . 1 1 96 96 THR CB C 96 69.280 69.280 69.074 0.206 25150 3805 1 6 . 1 1 96 96 THR H H 96 7.794 7.794 7.906 -0.112 25150 3806 1 6 . 1 1 97 97 GLU N N 97 123.314 123.314 122.172 1.142 25150 3807 1 6 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.087 0.230 25150 3808 1 6 . 1 1 97 97 GLU C C 97 176.907 176.907 177.396 -0.489 25150 3809 1 6 . 1 1 97 97 GLU CA C 97 58.680 58.680 59.015 -0.335 25150 3810 1 6 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.566 1.224 25150 3811 1 6 . 1 1 97 97 GLU H H 97 8.913 8.913 8.602 0.311 25150 3812 1 6 . 1 1 98 98 ASP N N 98 116.420 116.420 117.277 -0.857 25150 3813 1 6 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.998 0.192 25150 3814 1 6 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.045 0.454 25150 3815 1 6 . 1 1 98 98 ASP H H 98 8.124 8.124 8.040 0.084 25150 3816 1 6 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.599 -0.179 25150 3817 1 6 . 1 1 99 99 TRP C C 99 176.495 176.495 174.991 1.504 25150 3818 1 6 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.620 0.810 25150 3819 1 6 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.111 -0.531 25150 3820 1 6 . 1 1 100 100 SER N N 100 120.993 120.993 120.149 0.844 25150 3821 1 6 . 1 1 100 100 SER CA C 100 55.370 55.370 54.242 1.128 25150 3822 1 6 . 1 1 100 100 SER CB C 100 64.860 64.860 64.439 0.421 25150 3823 1 6 . 1 1 100 100 SER H H 100 5.703 5.703 6.980 -1.277 25150 3824 1 6 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.350 -0.157 25150 3825 1 6 . 1 1 101 101 PRO C C 101 175.227 175.227 176.338 -1.111 25150 3826 1 6 . 1 1 101 101 PRO CA C 101 63.700 63.700 63.840 -0.140 25150 3827 1 6 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.673 -0.253 25150 3828 1 6 . 1 1 102 102 ALA N N 102 118.668 118.668 120.303 -1.635 25150 3829 1 6 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.189 -0.095 25150 3830 1 6 . 1 1 102 102 ALA C C 102 178.797 178.797 178.223 0.574 25150 3831 1 6 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.385 0.445 25150 3832 1 6 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.067 -0.057 25150 3833 1 6 . 1 1 102 102 ALA H H 102 7.290 7.290 7.161 0.129 25150 3834 1 6 . 1 1 103 103 LEU N N 103 119.365 119.365 119.332 0.033 25150 3835 1 6 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.436 -0.226 25150 3836 1 6 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.474 -0.763 25150 3837 1 6 . 1 1 103 103 LEU H H 103 7.263 7.263 7.108 0.155 25150 3838 1 6 . 1 1 104 104 SER HA H 104 4.381 4.381 5.639 -1.258 25150 3839 1 6 . 1 1 104 104 SER C C 104 175.278 175.278 175.506 -0.228 25150 3840 1 6 . 1 1 104 104 SER CA C 104 56.500 56.500 56.248 0.252 25150 3841 1 6 . 1 1 104 104 SER CB C 104 66.770 66.770 66.975 -0.205 25150 3842 1 6 . 1 1 105 105 VAL N N 105 123.025 123.025 122.007 1.018 25150 3843 1 6 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.840 -0.228 25150 3844 1 6 . 1 1 105 105 VAL C C 105 179.053 179.053 176.936 2.117 25150 3845 1 6 . 1 1 105 105 VAL CA C 105 68.070 68.070 65.907 2.163 25150 3846 1 6 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.986 -0.366 25150 3847 1 6 . 1 1 105 105 VAL H H 105 9.841 9.841 9.365 0.476 25150 3848 1 6 . 1 1 106 106 GLN N N 106 121.218 121.218 120.167 1.051 25150 3849 1 6 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.006 -0.151 25150 3850 1 6 . 1 1 106 106 GLN C C 106 177.698 177.698 177.993 -0.295 25150 3851 1 6 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.419 1.711 25150 3852 1 6 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.589 -0.359 25150 3853 1 6 . 1 1 106 106 GLN H H 106 9.109 9.109 8.713 0.396 25150 3854 1 6 . 1 1 107 107 SER N N 107 115.531 115.531 115.769 -0.238 25150 3855 1 6 . 1 1 107 107 SER C C 107 177.828 177.828 176.716 1.112 25150 3856 1 6 . 1 1 107 107 SER CA C 107 62.500 62.500 61.669 0.831 25150 3857 1 6 . 1 1 107 107 SER CB C 107 62.670 62.670 62.755 -0.085 25150 3858 1 6 . 1 1 107 107 SER H H 107 8.209 8.209 7.881 0.328 25150 3859 1 6 . 1 1 108 108 VAL N N 108 123.756 123.756 122.964 0.792 25150 3860 1 6 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.830 -0.169 25150 3861 1 6 . 1 1 108 108 VAL C C 108 178.087 178.087 178.067 0.020 25150 3862 1 6 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.917 0.053 25150 3863 1 6 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.882 -0.172 25150 3864 1 6 . 1 1 108 108 VAL H H 108 8.256 8.256 8.294 -0.038 25150 3865 1 6 . 1 1 109 109 CYS N N 109 118.175 118.175 118.336 -0.161 25150 3866 1 6 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.267 -0.332 25150 3867 1 6 . 1 1 109 109 CYS C C 109 176.918 176.918 177.003 -0.085 25150 3868 1 6 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.572 1.319 25150 3869 1 6 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.994 0.806 25150 3870 1 6 . 1 1 109 109 CYS H H 109 8.781 8.781 8.368 0.413 25150 3871 1 6 . 1 1 110 110 LEU N N 110 118.491 118.491 120.822 -2.331 25150 3872 1 6 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.050 0.060 25150 3873 1 6 . 1 1 110 110 LEU C C 110 180.150 180.150 179.035 1.115 25150 3874 1 6 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.980 0.500 25150 3875 1 6 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.484 -0.474 25150 3876 1 6 . 1 1 110 110 LEU H H 110 8.543 8.543 8.649 -0.106 25150 3877 1 6 . 1 1 111 111 SER N N 111 117.917 117.917 116.137 1.780 25150 3878 1 6 . 1 1 111 111 SER C C 111 177.009 177.009 176.628 0.381 25150 3879 1 6 . 1 1 111 111 SER CA C 111 63.050 63.050 62.702 0.348 25150 3880 1 6 . 1 1 111 111 SER CB C 111 62.980 62.980 62.742 0.238 25150 3881 1 6 . 1 1 111 111 SER H H 111 8.181 8.181 7.970 0.211 25150 3882 1 6 . 1 1 112 112 ILE N N 112 124.764 124.764 123.348 1.416 25150 3883 1 6 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.631 0.042 25150 3884 1 6 . 1 1 112 112 ILE C C 112 177.441 177.441 177.787 -0.346 25150 3885 1 6 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.757 -0.327 25150 3886 1 6 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.875 0.075 25150 3887 1 6 . 1 1 112 112 ILE H H 112 8.249 8.249 8.137 0.112 25150 3888 1 6 . 1 1 113 113 ILE N N 113 121.123 121.123 120.789 0.334 25150 3889 1 6 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.503 0.093 25150 3890 1 6 . 1 1 113 113 ILE C C 113 179.525 179.525 178.128 1.397 25150 3891 1 6 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.892 0.368 25150 3892 1 6 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.550 1.230 25150 3893 1 6 . 1 1 113 113 ILE H H 113 8.415 8.415 8.411 0.004 25150 3894 1 6 . 1 1 114 114 SER N N 114 115.247 115.247 116.037 -0.790 25150 3895 1 6 . 1 1 114 114 SER HA H 114 4.300 4.300 4.167 0.133 25150 3896 1 6 . 1 1 114 114 SER C C 114 176.915 176.915 176.658 0.257 25150 3897 1 6 . 1 1 114 114 SER CA C 114 61.510 61.510 62.173 -0.663 25150 3898 1 6 . 1 1 114 114 SER CB C 114 62.990 62.990 63.029 -0.039 25150 3899 1 6 . 1 1 114 114 SER H H 114 8.241 8.241 8.248 -0.007 25150 3900 1 6 . 1 1 115 115 MET N N 115 122.921 122.921 122.172 0.749 25150 3901 1 6 . 1 1 115 115 MET C C 115 179.552 179.552 177.713 1.839 25150 3902 1 6 . 1 1 115 115 MET CA C 115 59.030 59.030 58.908 0.122 25150 3903 1 6 . 1 1 115 115 MET CB C 115 33.040 33.040 32.560 0.480 25150 3904 1 6 . 1 1 115 115 MET H H 115 8.216 8.216 8.089 0.127 25150 3905 1 6 . 1 1 116 116 LEU N N 116 120.553 120.553 120.789 -0.236 25150 3906 1 6 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.870 0.207 25150 3907 1 6 . 1 1 116 116 LEU C C 116 179.264 179.264 178.210 1.054 25150 3908 1 6 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.543 1.227 25150 3909 1 6 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.595 -0.965 25150 3910 1 6 . 1 1 116 116 LEU H H 116 7.981 7.981 8.267 -0.286 25150 3911 1 6 . 1 1 117 117 SER N N 117 114.100 114.100 111.781 2.319 25150 3912 1 6 . 1 1 117 117 SER HA H 117 4.342 4.342 4.421 -0.079 25150 3913 1 6 . 1 1 117 117 SER C C 117 175.042 175.042 176.123 -1.081 25150 3914 1 6 . 1 1 117 117 SER CA C 117 61.700 61.700 60.553 1.147 25150 3915 1 6 . 1 1 117 117 SER CB C 117 63.120 63.120 63.720 -0.600 25150 3916 1 6 . 1 1 117 117 SER H H 117 8.467 8.467 8.242 0.225 25150 3917 1 6 . 1 1 118 118 SER N N 118 113.628 113.628 117.979 -4.351 25150 3918 1 6 . 1 1 118 118 SER HA H 118 4.485 4.485 4.422 0.063 25150 3919 1 6 . 1 1 118 118 SER C C 118 174.142 174.142 175.515 -1.373 25150 3920 1 6 . 1 1 118 118 SER CA C 118 59.000 59.000 60.366 -1.366 25150 3921 1 6 . 1 1 118 118 SER CB C 118 64.040 64.040 63.735 0.305 25150 3922 1 6 . 1 1 118 118 SER H H 118 8.037 8.037 7.959 0.078 25150 3923 1 6 . 1 1 119 119 CYS N N 119 122.293 122.293 122.513 -0.220 25150 3924 1 6 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.071 -0.881 25150 3925 1 6 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.398 -0.128 25150 3926 1 6 . 1 1 119 119 CYS H H 119 7.250 7.250 7.886 -0.636 25150 3927 1 6 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.334 0.206 25150 3928 1 6 . 1 1 120 120 LYS C C 120 176.345 176.345 176.491 -0.146 25150 3929 1 6 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.172 7.878 25150 3930 1 6 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.806 0.744 25150 3931 1 6 . 1 1 121 121 GLU N N 121 120.936 120.936 117.761 3.175 25150 3932 1 6 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.428 -0.199 25150 3933 1 6 . 1 1 121 121 GLU C C 121 174.053 174.053 174.589 -0.536 25150 3934 1 6 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.547 0.643 25150 3935 1 6 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.351 1.339 25150 3936 1 6 . 1 1 121 121 GLU H H 121 7.700 7.700 7.746 -0.046 25150 3937 1 6 . 1 1 122 122 LYS N N 122 127.472 127.472 121.879 5.593 25150 3938 1 6 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.358 -0.496 25150 3939 1 6 . 1 1 122 122 LYS C C 122 174.440 174.440 176.249 -1.809 25150 3940 1 6 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.217 2.063 25150 3941 1 6 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.834 -0.424 25150 3942 1 6 . 1 1 122 122 LYS H H 122 8.890 8.890 8.410 0.480 25150 3943 1 6 . 1 1 123 123 ARG N N 123 123.268 123.268 122.364 0.904 25150 3944 1 6 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.518 -0.248 25150 3945 1 6 . 1 1 123 123 ARG C C 123 172.653 172.653 175.534 -2.881 25150 3946 1 6 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.004 -0.424 25150 3947 1 6 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.341 -0.111 25150 3948 1 6 . 1 1 123 123 ARG H H 123 6.841 6.841 8.516 -1.675 25150 3949 1 6 . 1 1 124 124 ARG N N 124 116.787 116.787 124.549 -7.762 25150 3950 1 6 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.735 -0.025 25150 3951 1 6 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.199 -1.119 25150 3952 1 6 . 1 1 124 124 ARG H H 124 8.044 8.044 8.410 -0.366 25150 3953 1 6 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.083 0.717 25150 3954 1 6 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.919 -0.139 25150 3955 1 6 . 1 1 127 127 ASP N N 127 115.165 115.165 119.407 -4.242 25150 3956 1 6 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.516 0.608 25150 3957 1 6 . 1 1 127 127 ASP C C 127 172.871 172.871 175.934 -3.063 25150 3958 1 6 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.944 -1.274 25150 3959 1 6 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.901 -1.761 25150 3960 1 6 . 1 1 127 127 ASP H H 127 8.711 8.711 8.176 0.535 25150 3961 1 6 . 1 1 128 128 ASN N N 128 127.858 127.858 119.836 8.022 25150 3962 1 6 . 1 1 128 128 ASN CA C 128 56.480 56.480 53.002 3.478 25150 3963 1 6 . 1 1 128 128 ASN CB C 128 38.560 38.560 40.739 -2.179 25150 3964 1 6 . 1 1 128 128 ASN H H 128 8.502 8.502 8.564 -0.062 25150 3965 1 6 . 1 1 129 129 SER C C 129 176.346 176.346 176.582 -0.236 25150 3966 1 6 . 1 1 129 129 SER CA C 129 62.330 62.330 61.399 0.931 25150 3967 1 6 . 1 1 130 130 PHE N N 130 121.897 121.897 123.388 -1.491 25150 3968 1 6 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.089 0.031 25150 3969 1 6 . 1 1 130 130 PHE C C 130 177.740 177.740 176.406 1.334 25150 3970 1 6 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.065 -0.105 25150 3971 1 6 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.592 1.168 25150 3972 1 6 . 1 1 130 130 PHE H H 130 8.022 8.022 8.277 -0.255 25150 3973 1 6 . 1 1 131 131 TYR N N 131 122.173 122.173 116.413 5.760 25150 3974 1 6 . 1 1 131 131 TYR HA H 131 3.746 3.746 3.863 -0.117 25150 3975 1 6 . 1 1 131 131 TYR C C 131 178.140 178.140 177.303 0.837 25150 3976 1 6 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.057 1.233 25150 3977 1 6 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.078 1.462 25150 3978 1 6 . 1 1 131 131 TYR H H 131 8.871 8.871 7.810 1.061 25150 3979 1 6 . 1 1 132 132 VAL N N 132 116.993 116.993 117.677 -0.684 25150 3980 1 6 . 1 1 132 132 VAL C C 132 178.082 178.082 178.595 -0.513 25150 3981 1 6 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.636 0.694 25150 3982 1 6 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.955 -0.505 25150 3983 1 6 . 1 1 132 132 VAL H H 132 8.551 8.551 7.771 0.780 25150 3984 1 6 . 1 1 133 133 ARG N N 133 118.860 118.860 118.886 -0.026 25150 3985 1 6 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.801 -0.821 25150 3986 1 6 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.566 -0.316 25150 3987 1 6 . 1 1 133 133 ARG H H 133 7.545 7.545 8.449 -0.904 25150 3988 1 6 . 1 1 134 134 THR CA C 134 62.280 62.280 63.379 -1.099 25150 3989 1 6 . 1 1 134 134 THR CB C 134 69.790 69.790 67.724 2.066 25150 3990 1 6 . 1 1 135 135 CYS N N 135 125.959 125.959 115.950 10.009 25150 3991 1 6 . 1 1 135 135 CYS CA C 135 59.760 59.760 57.099 2.661 25150 3992 1 6 . 1 1 135 135 CYS CB C 135 39.010 39.010 29.131 9.879 25150 3993 1 6 . 1 1 135 135 CYS H H 135 7.881 7.881 7.792 0.089 25150 3994 1 6 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.841 -0.831 25150 3995 1 6 . 1 1 136 136 ASN C C 136 177.768 177.768 175.898 1.870 25150 3996 1 6 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.114 0.046 25150 3997 1 6 . 1 1 136 136 ASN CB C 136 38.470 38.470 40.723 -2.253 25150 3998 1 6 . 1 1 137 137 LYS N N 137 119.224 119.224 117.849 1.375 25150 3999 1 6 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.430 -0.234 25150 4000 1 6 . 1 1 137 137 LYS C C 137 176.185 176.185 176.403 -0.218 25150 4001 1 6 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.462 0.518 25150 4002 1 6 . 1 1 137 137 LYS CB C 137 32.870 32.870 33.767 -0.897 25150 4003 1 6 . 1 1 137 137 LYS H H 137 7.678 7.678 8.182 -0.504 25150 4004 1 6 . 1 1 138 138 ASN N N 138 117.174 117.174 118.759 -1.585 25150 4005 1 6 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.041 0.489 25150 4006 1 6 . 1 1 138 138 ASN CB C 138 38.940 38.940 39.055 -0.115 25150 4007 1 6 . 1 1 138 138 ASN H H 138 7.969 7.969 8.231 -0.262 25150 4008 1 6 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.236 0.162 25150 4009 1 6 . 1 1 139 139 PRO C C 139 177.335 177.335 178.008 -0.673 25150 4010 1 6 . 1 1 139 139 PRO CA C 139 63.850 63.850 65.341 -1.491 25150 4011 1 6 . 1 1 139 139 PRO CB C 139 32.110 32.110 31.942 0.168 25150 4012 1 6 . 1 1 140 140 LYS N N 140 118.218 118.218 115.708 2.510 25150 4013 1 6 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.081 28.569 25150 4014 1 6 . 1 1 140 140 LYS C C 140 176.564 176.564 177.605 -1.041 25150 4015 1 6 . 1 1 140 140 LYS CA C 140 56.990 56.990 58.354 -1.364 25150 4016 1 6 . 1 1 140 140 LYS H H 140 8.108 8.108 8.505 -0.397 25150 4017 1 6 . 1 1 141 141 LYS N N 141 119.276 119.276 117.467 1.809 25150 4018 1 6 . 1 1 141 141 LYS C C 141 177.924 177.924 176.457 1.467 25150 4019 1 6 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.981 0.119 25150 4020 1 6 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.916 -3.136 25150 4021 1 6 . 1 1 141 141 LYS H H 141 8.135 8.135 7.887 0.248 25150 4022 1 6 . 1 1 142 142 THR N N 142 115.380 115.380 118.506 -3.126 25150 4023 1 6 . 1 1 142 142 THR CA C 142 61.850 61.850 63.451 -1.601 25150 4024 1 6 . 1 1 142 142 THR CB C 142 69.660 69.660 67.213 2.447 25150 4025 1 6 . 1 1 142 142 THR H H 142 8.030 8.030 7.712 0.318 25150 4026 1 6 . 1 1 143 143 LYS C C 143 178.955 178.955 177.302 1.653 25150 4027 1 6 . 1 1 144 144 TRP N N 144 120.470 120.470 118.325 2.145 25150 4028 1 6 . 1 1 144 144 TRP C C 144 176.557 176.557 175.819 0.738 25150 4029 1 6 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.704 1.166 25150 4030 1 6 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.700 3.300 25150 4031 1 6 . 1 1 144 144 TRP H H 144 8.094 8.094 7.665 0.429 25150 4032 1 6 . 1 1 145 145 TRP N N 145 120.330 120.330 122.056 -1.726 25150 4033 1 6 . 1 1 145 145 TRP CA C 145 57.120 57.120 57.102 0.018 25150 4034 1 6 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.852 1.998 25150 4035 1 6 . 1 1 145 145 TRP H H 145 8.488 8.488 7.185 1.303 25150 4036 1 6 . 1 1 146 146 TYR C C 146 174.706 174.706 173.447 1.259 25150 4037 1 6 . 1 1 146 146 TYR CA C 146 57.430 57.430 56.366 1.064 25150 4038 1 6 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.999 -0.259 25150 4039 1 6 . 1 1 147 147 HIS N N 147 121.604 121.604 120.667 0.937 25150 4040 1 6 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.269 -0.083 25150 4041 1 6 . 1 1 147 147 HIS C C 147 176.874 176.874 175.106 1.768 25150 4042 1 6 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.386 -0.146 25150 4043 1 6 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.106 1.094 25150 4044 1 6 . 1 1 147 147 HIS H H 147 7.886 7.886 6.347 1.539 25150 4045 1 6 . 1 1 148 148 ASP N N 148 122.629 122.629 120.327 2.302 25150 4046 1 6 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.647 -0.103 25150 4047 1 6 . 1 1 148 148 ASP C C 148 175.661 175.661 176.112 -0.451 25150 4048 1 6 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.732 -0.552 25150 4049 1 6 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.255 0.425 25150 4050 1 6 . 1 1 148 148 ASP H H 148 8.109 8.109 8.476 -0.367 25150 4051 1 6 . 1 1 149 149 ASP N N 149 121.321 121.321 120.523 0.798 25150 4052 1 6 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.662 -0.008 25150 4053 1 6 . 1 1 149 149 ASP C C 149 176.551 176.551 176.475 0.076 25150 4054 1 6 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.575 0.035 25150 4055 1 6 . 1 1 149 149 ASP CB C 149 41.360 41.360 39.572 1.788 25150 4056 1 6 . 1 1 149 149 ASP H H 149 8.395 8.395 8.274 0.121 25150 4057 1 6 . 1 1 150 150 THR N N 150 113.450 113.450 114.014 -0.564 25150 4058 1 6 . 1 1 150 150 THR HA H 150 4.296 4.296 4.541 -0.245 25150 4059 1 6 . 1 1 150 150 THR C C 150 173.994 173.994 174.905 -0.911 25150 4060 1 6 . 1 1 150 150 THR CA C 150 62.310 62.310 60.885 1.425 25150 4061 1 6 . 1 1 150 150 THR CB C 150 69.870 69.870 69.113 0.757 25150 4062 1 6 . 1 1 150 150 THR H H 150 8.259 8.259 8.327 -0.068 25150 4063 1 7 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.247 0.047 25150 4064 1 7 . 1 1 6 6 LYS C C 6 176.970 176.970 179.182 -2.212 25150 4065 1 7 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.398 -1.028 25150 4066 1 7 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.293 0.187 25150 4067 1 7 . 1 1 7 7 ARG N N 7 119.704 119.704 120.440 -0.736 25150 4068 1 7 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.075 0.123 25150 4069 1 7 . 1 1 7 7 ARG C C 7 178.270 178.270 178.522 -0.252 25150 4070 1 7 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.603 0.427 25150 4071 1 7 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.480 -0.920 25150 4072 1 7 . 1 1 7 7 ARG H H 7 8.599 8.599 8.002 0.597 25150 4073 1 7 . 1 1 8 8 LEU N N 8 119.704 119.704 119.163 0.541 25150 4074 1 7 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.847 0.243 25150 4075 1 7 . 1 1 8 8 LEU C C 8 178.980 178.980 178.900 0.080 25150 4076 1 7 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.616 0.674 25150 4077 1 7 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.217 0.843 25150 4078 1 7 . 1 1 8 8 LEU H H 8 8.599 8.599 8.181 0.418 25150 4079 1 7 . 1 1 9 9 GLN N N 9 117.512 117.512 119.267 -1.755 25150 4080 1 7 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.907 0.130 25150 4081 1 7 . 1 1 9 9 GLN C C 9 178.610 178.610 178.446 0.164 25150 4082 1 7 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.448 -0.138 25150 4083 1 7 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.382 0.098 25150 4084 1 7 . 1 1 9 9 GLN H H 9 8.066 8.066 8.373 -0.307 25150 4085 1 7 . 1 1 10 10 LYS N N 10 119.556 119.556 119.950 -0.394 25150 4086 1 7 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.948 0.132 25150 4087 1 7 . 1 1 10 10 LYS C C 10 180.040 180.040 179.285 0.755 25150 4088 1 7 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.776 -0.096 25150 4089 1 7 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.220 0.240 25150 4090 1 7 . 1 1 10 10 LYS H H 10 7.678 7.678 7.953 -0.275 25150 4091 1 7 . 1 1 11 11 GLU N N 11 120.347 120.347 119.649 0.698 25150 4092 1 7 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.056 0.120 25150 4093 1 7 . 1 1 11 11 GLU C C 11 178.770 178.770 178.639 0.131 25150 4094 1 7 . 1 1 11 11 GLU CA C 11 61.040 61.040 58.844 2.196 25150 4095 1 7 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.289 1.371 25150 4096 1 7 . 1 1 11 11 GLU H H 11 8.533 8.533 8.188 0.345 25150 4097 1 7 . 1 1 12 12 LEU N N 12 123.285 123.285 121.870 1.415 25150 4098 1 7 . 1 1 12 12 LEU C C 12 178.570 178.570 178.530 0.040 25150 4099 1 7 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.920 0.199 25150 4100 1 7 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.709 -0.629 25150 4101 1 7 . 1 1 12 12 LEU H H 12 8.685 8.685 8.170 0.515 25150 4102 1 7 . 1 1 13 13 LEU N N 13 118.881 118.881 118.538 0.343 25150 4103 1 7 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.132 -0.135 25150 4104 1 7 . 1 1 13 13 LEU C C 13 179.260 179.260 179.111 0.149 25150 4105 1 7 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.825 0.076 25150 4106 1 7 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.299 0.591 25150 4107 1 7 . 1 1 13 13 LEU H H 13 7.588 7.588 8.155 -0.567 25150 4108 1 7 . 1 1 14 14 ALA N N 14 120.667 120.667 122.420 -1.753 25150 4109 1 7 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.985 0.205 25150 4110 1 7 . 1 1 14 14 ALA C C 14 176.270 176.270 179.591 -3.321 25150 4111 1 7 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.215 -0.025 25150 4112 1 7 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.107 -0.076 25150 4113 1 7 . 1 1 14 14 ALA H H 14 7.617 7.617 8.099 -0.482 25150 4114 1 7 . 1 1 15 15 LEU N N 15 119.965 119.965 119.214 0.751 25150 4115 1 7 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.297 0.153 25150 4116 1 7 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.627 0.633 25150 4117 1 7 . 1 1 15 15 LEU H H 15 7.726 7.726 8.136 -0.410 25150 4118 1 7 . 1 1 16 16 GLN N N 16 115.381 115.381 117.790 -2.409 25150 4119 1 7 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.036 -0.058 25150 4120 1 7 . 1 1 16 16 GLN C C 16 177.950 177.950 178.129 -0.179 25150 4121 1 7 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.213 0.247 25150 4122 1 7 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.980 0.810 25150 4123 1 7 . 1 1 16 16 GLN H H 16 8.028 8.028 8.294 -0.266 25150 4124 1 7 . 1 1 17 17 ASN N N 17 114.975 114.975 116.775 -1.800 25150 4125 1 7 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.605 0.025 25150 4126 1 7 . 1 1 17 17 ASN C C 17 175.303 175.303 175.492 -0.189 25150 4127 1 7 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.097 -0.217 25150 4128 1 7 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.349 0.500 25150 4129 1 7 . 1 1 17 17 ASN H H 17 8.136 8.136 8.216 -0.080 25150 4130 1 7 . 1 1 18 18 ASP N N 18 119.698 119.698 118.143 1.555 25150 4131 1 7 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.227 1.233 25150 4132 1 7 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.480 -0.970 25150 4133 1 7 . 1 1 18 18 ASP H H 18 8.218 8.218 8.241 -0.023 25150 4134 1 7 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.259 0.056 25150 4135 1 7 . 1 1 21 21 PRO C C 21 177.867 177.867 177.696 0.171 25150 4136 1 7 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.042 -0.222 25150 4137 1 7 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.808 -0.238 25150 4138 1 7 . 1 1 22 22 GLY N N 22 111.293 111.293 111.600 -0.307 25150 4139 1 7 . 1 1 22 22 GLY C C 22 174.342 174.342 174.148 0.194 25150 4140 1 7 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.446 0.544 25150 4141 1 7 . 1 1 22 22 GLY H H 22 8.506 8.506 8.575 -0.069 25150 4142 1 7 . 1 1 23 23 MET N N 23 118.966 118.966 120.049 -1.083 25150 4143 1 7 . 1 1 23 23 MET HA H 23 5.699 5.699 5.614 0.085 25150 4144 1 7 . 1 1 23 23 MET C C 23 175.386 175.386 176.080 -0.694 25150 4145 1 7 . 1 1 23 23 MET CA C 23 55.270 55.270 53.314 1.956 25150 4146 1 7 . 1 1 23 23 MET CB C 23 35.890 35.890 34.422 1.468 25150 4147 1 7 . 1 1 23 23 MET H H 23 8.017 8.017 7.849 0.168 25150 4148 1 7 . 1 1 24 24 THR N N 24 112.647 112.647 120.449 -7.802 25150 4149 1 7 . 1 1 24 24 THR HA H 24 4.596 4.596 4.629 -0.033 25150 4150 1 7 . 1 1 24 24 THR C C 24 173.407 173.407 173.239 0.168 25150 4151 1 7 . 1 1 24 24 THR CA C 24 60.850 60.850 61.826 -0.976 25150 4152 1 7 . 1 1 24 24 THR CB C 24 72.360 72.360 70.023 2.337 25150 4153 1 7 . 1 1 24 24 THR H H 24 8.565 8.565 9.025 -0.460 25150 4154 1 7 . 1 1 25 25 LEU N N 25 126.920 126.920 128.673 -1.753 25150 4155 1 7 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.490 -0.194 25150 4156 1 7 . 1 1 25 25 LEU C C 25 175.624 175.624 176.622 -0.998 25150 4157 1 7 . 1 1 25 25 LEU CA C 25 56.170 56.170 55.233 0.937 25150 4158 1 7 . 1 1 25 25 LEU CB C 25 42.710 42.710 42.191 0.519 25150 4159 1 7 . 1 1 25 25 LEU H H 25 9.189 9.189 8.663 0.526 25150 4160 1 7 . 1 1 26 26 ASN N N 26 127.108 127.108 122.979 4.129 25150 4161 1 7 . 1 1 26 26 ASN C C 26 173.783 173.783 175.068 -1.285 25150 4162 1 7 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.837 2.264 25150 4163 1 7 . 1 1 26 26 ASN CB C 26 40.370 40.370 39.703 0.667 25150 4164 1 7 . 1 1 26 26 ASN H H 26 9.000 9.000 8.567 0.433 25150 4165 1 7 . 1 1 27 27 GLU N N 27 108.990 108.990 122.546 -13.556 25150 4166 1 7 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.862 -0.252 25150 4167 1 7 . 1 1 27 27 GLU H H 27 7.631 7.631 8.555 -0.923 25150 4168 1 7 . 1 1 30 30 VAL C C 30 177.011 177.011 176.078 0.933 25150 4169 1 7 . 1 1 30 30 VAL CA C 30 55.230 55.230 61.449 -6.219 25150 4170 1 7 . 1 1 30 30 VAL CB C 30 30.860 30.860 33.405 -2.545 25150 4171 1 7 . 1 1 31 31 GLN N N 31 125.960 125.960 126.023 -0.063 25150 4172 1 7 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.722 -0.292 25150 4173 1 7 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.675 0.455 25150 4174 1 7 . 1 1 31 31 GLN H H 31 7.880 7.880 8.927 -1.047 25150 4175 1 7 . 1 1 34 34 ILE HA H 34 4.660 4.660 3.953 0.707 25150 4176 1 7 . 1 1 34 34 ILE C C 34 178.642 178.642 176.391 2.251 25150 4177 1 7 . 1 1 34 34 ILE CA C 34 54.970 54.970 62.576 -7.606 25150 4178 1 7 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.252 3.748 25150 4179 1 7 . 1 1 35 35 THR N N 35 110.980 110.980 113.888 -2.908 25150 4180 1 7 . 1 1 35 35 THR CA C 35 61.070 61.070 65.778 -4.708 25150 4181 1 7 . 1 1 35 35 THR CB C 35 69.090 69.090 69.013 0.077 25150 4182 1 7 . 1 1 35 35 THR H H 35 7.825 7.825 8.066 -0.241 25150 4183 1 7 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.343 0.281 25150 4184 1 7 . 1 1 36 36 GLN C C 36 174.178 174.178 174.627 -0.449 25150 4185 1 7 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.443 0.647 25150 4186 1 7 . 1 1 36 36 GLN CB C 36 32.290 32.290 32.547 -0.257 25150 4187 1 7 . 1 1 37 37 TRP N N 37 123.942 123.942 122.849 1.093 25150 4188 1 7 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.110 0.466 25150 4189 1 7 . 1 1 37 37 TRP C C 37 174.959 174.959 173.640 1.319 25150 4190 1 7 . 1 1 37 37 TRP CA C 37 53.630 53.630 55.278 -1.648 25150 4191 1 7 . 1 1 37 37 TRP CB C 37 32.950 32.950 30.984 1.966 25150 4192 1 7 . 1 1 37 37 TRP H H 37 9.242 9.242 8.980 0.262 25150 4193 1 7 . 1 1 38 38 ILE N N 38 121.559 121.559 120.824 0.735 25150 4194 1 7 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.229 0.050 25150 4195 1 7 . 1 1 38 38 ILE CA C 38 59.430 59.430 59.996 -0.566 25150 4196 1 7 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.562 -1.322 25150 4197 1 7 . 1 1 38 38 ILE H H 38 8.778 8.778 8.965 -0.187 25150 4198 1 7 . 1 1 39 39 VAL N N 39 128.719 128.719 125.245 3.474 25150 4199 1 7 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.921 -0.340 25150 4200 1 7 . 1 1 39 39 VAL C C 39 175.175 175.175 173.480 1.695 25150 4201 1 7 . 1 1 39 39 VAL CA C 39 61.250 61.250 59.542 1.708 25150 4202 1 7 . 1 1 39 39 VAL CB C 39 35.850 35.850 36.105 -0.255 25150 4203 1 7 . 1 1 39 39 VAL H H 39 9.533 9.533 8.934 0.599 25150 4204 1 7 . 1 1 40 40 ASP N N 40 128.451 128.451 128.126 0.325 25150 4205 1 7 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.515 -0.297 25150 4206 1 7 . 1 1 40 40 ASP C C 40 175.157 175.157 175.020 0.137 25150 4207 1 7 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.650 1.660 25150 4208 1 7 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.394 -0.894 25150 4209 1 7 . 1 1 40 40 ASP H H 40 9.165 9.165 8.724 0.441 25150 4210 1 7 . 1 1 41 41 MET N N 41 120.544 120.544 121.524 -0.980 25150 4211 1 7 . 1 1 41 41 MET HA H 41 5.467 5.467 5.325 0.142 25150 4212 1 7 . 1 1 41 41 MET C C 41 173.590 173.590 173.977 -0.387 25150 4213 1 7 . 1 1 41 41 MET CA C 41 54.610 54.610 54.449 0.161 25150 4214 1 7 . 1 1 41 41 MET CB C 41 37.490 37.490 37.411 0.079 25150 4215 1 7 . 1 1 41 41 MET H H 41 8.756 8.756 9.135 -0.379 25150 4216 1 7 . 1 1 42 42 GLU N N 42 125.740 125.740 127.686 -1.946 25150 4217 1 7 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.331 -0.321 25150 4218 1 7 . 1 1 42 42 GLU C C 42 177.323 177.323 176.771 0.552 25150 4219 1 7 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.070 0.410 25150 4220 1 7 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.694 -1.434 25150 4221 1 7 . 1 1 42 42 GLU H H 42 8.706 8.706 8.671 0.035 25150 4222 1 7 . 1 1 43 43 GLY N N 43 111.314 111.314 112.551 -1.237 25150 4223 1 7 . 1 1 43 43 GLY C C 43 174.121 174.121 173.663 0.458 25150 4224 1 7 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.137 0.253 25150 4225 1 7 . 1 1 43 43 GLY H H 43 8.917 8.917 8.827 0.090 25150 4226 1 7 . 1 1 44 44 ALA N N 44 128.665 128.665 126.549 2.116 25150 4227 1 7 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.207 0.853 25150 4228 1 7 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.757 -0.287 25150 4229 1 7 . 1 1 44 44 ALA H H 44 8.918 8.918 8.621 0.297 25150 4230 1 7 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.130 0.170 25150 4231 1 7 . 1 1 45 45 PRO C C 45 177.598 177.598 177.389 0.209 25150 4232 1 7 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.693 -1.283 25150 4233 1 7 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.101 0.689 25150 4234 1 7 . 1 1 46 46 GLY N N 46 111.319 111.319 113.480 -2.161 25150 4235 1 7 . 1 1 46 46 GLY C C 46 174.290 174.290 174.714 -0.424 25150 4236 1 7 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.258 0.652 25150 4237 1 7 . 1 1 46 46 GLY H H 46 9.449 9.449 9.340 0.109 25150 4238 1 7 . 1 1 47 47 THR N N 47 107.981 107.981 112.072 -4.091 25150 4239 1 7 . 1 1 47 47 THR HA H 47 4.801 4.801 4.615 0.186 25150 4240 1 7 . 1 1 47 47 THR C C 47 176.158 176.158 176.059 0.099 25150 4241 1 7 . 1 1 47 47 THR CA C 47 60.380 60.380 59.964 0.416 25150 4242 1 7 . 1 1 47 47 THR CB C 47 73.420 73.420 71.203 2.217 25150 4243 1 7 . 1 1 47 47 THR H H 47 7.426 7.426 7.533 -0.107 25150 4244 1 7 . 1 1 48 48 LEU N N 48 119.132 119.132 120.638 -1.506 25150 4245 1 7 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.063 -0.006 25150 4246 1 7 . 1 1 48 48 LEU C C 48 175.907 175.907 177.056 -1.149 25150 4247 1 7 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.992 -0.502 25150 4248 1 7 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.607 0.013 25150 4249 1 7 . 1 1 48 48 LEU H H 48 8.966 8.966 8.835 0.131 25150 4250 1 7 . 1 1 49 49 TYR N N 49 113.649 113.649 114.438 -0.789 25150 4251 1 7 . 1 1 49 49 TYR HA H 49 4.825 4.825 5.032 -0.207 25150 4252 1 7 . 1 1 49 49 TYR C C 49 174.634 174.634 175.554 -0.920 25150 4253 1 7 . 1 1 49 49 TYR CA C 49 56.110 56.110 55.982 0.128 25150 4254 1 7 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.682 -0.292 25150 4255 1 7 . 1 1 49 49 TYR H H 49 7.205 7.205 7.702 -0.497 25150 4256 1 7 . 1 1 50 50 GLU N N 50 122.006 122.006 122.467 -0.461 25150 4257 1 7 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.039 -0.562 25150 4258 1 7 . 1 1 50 50 GLU C C 50 177.182 177.182 177.734 -0.552 25150 4259 1 7 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.144 -0.044 25150 4260 1 7 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.663 1.377 25150 4261 1 7 . 1 1 50 50 GLU H H 50 6.934 6.934 7.612 -0.678 25150 4262 1 7 . 1 1 51 51 GLY N N 51 115.165 115.165 115.741 -0.576 25150 4263 1 7 . 1 1 51 51 GLY C C 51 173.997 173.997 174.288 -0.291 25150 4264 1 7 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.906 0.594 25150 4265 1 7 . 1 1 51 51 GLY H H 51 8.752 8.752 8.684 0.068 25150 4266 1 7 . 1 1 52 52 GLU N N 52 120.251 120.251 121.775 -1.524 25150 4267 1 7 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.252 -0.282 25150 4268 1 7 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.052 0.388 25150 4269 1 7 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.770 1.930 25150 4270 1 7 . 1 1 52 52 GLU H H 52 7.900 7.900 8.309 -0.409 25150 4271 1 7 . 1 1 53 53 LYS N N 53 120.435 120.435 121.693 -1.258 25150 4272 1 7 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.142 -0.456 25150 4273 1 7 . 1 1 53 53 LYS C C 53 175.285 175.285 175.418 -0.133 25150 4274 1 7 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.702 0.678 25150 4275 1 7 . 1 1 53 53 LYS CB C 53 34.060 34.060 35.176 -1.116 25150 4276 1 7 . 1 1 53 53 LYS H H 53 8.046 8.046 8.153 -0.107 25150 4277 1 7 . 1 1 54 54 PHE N N 54 122.724 122.724 119.234 3.490 25150 4278 1 7 . 1 1 54 54 PHE HA H 54 5.520 5.520 5.033 0.487 25150 4279 1 7 . 1 1 54 54 PHE C C 54 175.151 175.151 174.472 0.679 25150 4280 1 7 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.125 -1.435 25150 4281 1 7 . 1 1 54 54 PHE CB C 54 43.600 43.600 43.106 0.494 25150 4282 1 7 . 1 1 54 54 PHE H H 54 9.082 9.082 8.713 0.369 25150 4283 1 7 . 1 1 55 55 GLN N N 55 121.971 121.971 120.333 1.638 25150 4284 1 7 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.151 0.201 25150 4285 1 7 . 1 1 55 55 GLN C C 55 173.802 173.802 173.717 0.085 25150 4286 1 7 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.784 1.416 25150 4287 1 7 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.655 1.665 25150 4288 1 7 . 1 1 55 55 GLN H H 55 10.001 10.001 8.790 1.211 25150 4289 1 7 . 1 1 56 56 LEU N N 56 124.898 124.898 125.483 -0.585 25150 4290 1 7 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.176 -0.484 25150 4291 1 7 . 1 1 56 56 LEU C C 56 174.265 174.265 174.613 -0.348 25150 4292 1 7 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.025 0.395 25150 4293 1 7 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.556 1.134 25150 4294 1 7 . 1 1 56 56 LEU H H 56 9.573 9.573 9.127 0.446 25150 4295 1 7 . 1 1 57 57 LEU N N 57 124.234 124.234 122.817 1.417 25150 4296 1 7 . 1 1 57 57 LEU HA H 57 5.170 5.170 4.972 0.198 25150 4297 1 7 . 1 1 57 57 LEU C C 57 174.551 174.551 174.357 0.194 25150 4298 1 7 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.042 0.628 25150 4299 1 7 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.911 0.609 25150 4300 1 7 . 1 1 57 57 LEU H H 57 8.890 8.890 8.521 0.369 25150 4301 1 7 . 1 1 58 58 PHE N N 58 124.003 124.003 126.998 -2.995 25150 4302 1 7 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.267 -0.517 25150 4303 1 7 . 1 1 58 58 PHE C C 58 174.407 174.407 174.494 -0.087 25150 4304 1 7 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.716 0.284 25150 4305 1 7 . 1 1 58 58 PHE CB C 58 42.940 42.940 41.625 1.315 25150 4306 1 7 . 1 1 58 58 PHE H H 58 9.134 9.134 9.071 0.063 25150 4307 1 7 . 1 1 59 59 LYS N N 59 120.089 120.089 122.498 -2.409 25150 4308 1 7 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.251 -0.368 25150 4309 1 7 . 1 1 59 59 LYS C C 59 175.192 175.192 174.445 0.747 25150 4310 1 7 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.731 0.089 25150 4311 1 7 . 1 1 59 59 LYS CB C 59 35.530 35.530 36.525 -0.995 25150 4312 1 7 . 1 1 59 59 LYS H H 59 8.732 8.732 8.572 0.160 25150 4313 1 7 . 1 1 60 60 PHE N N 60 123.988 123.988 124.725 -0.737 25150 4314 1 7 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.651 -0.347 25150 4315 1 7 . 1 1 60 60 PHE C C 60 174.636 174.636 175.178 -0.542 25150 4316 1 7 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.010 0.240 25150 4317 1 7 . 1 1 60 60 PHE CB C 60 41.160 41.160 41.186 -0.026 25150 4318 1 7 . 1 1 60 60 PHE H H 60 8.649 8.649 8.536 0.113 25150 4319 1 7 . 1 1 61 61 SER N N 61 117.599 117.599 117.216 0.383 25150 4320 1 7 . 1 1 61 61 SER C C 61 174.771 174.771 174.707 0.064 25150 4321 1 7 . 1 1 61 61 SER CA C 61 57.130 57.130 57.163 -0.033 25150 4322 1 7 . 1 1 61 61 SER CB C 61 66.030 66.030 65.069 0.962 25150 4323 1 7 . 1 1 61 61 SER H H 61 8.066 8.066 8.449 -0.383 25150 4324 1 7 . 1 1 62 62 SER N N 62 119.994 119.994 113.479 6.515 25150 4325 1 7 . 1 1 62 62 SER CA C 62 61.650 61.650 59.839 1.811 25150 4326 1 7 . 1 1 62 62 SER H H 62 8.265 8.265 8.701 -0.436 25150 4327 1 7 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.270 0.180 25150 4328 1 7 . 1 1 63 63 ARG C C 63 175.086 175.086 176.783 -1.697 25150 4329 1 7 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.152 0.518 25150 4330 1 7 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.436 -0.386 25150 4331 1 7 . 1 1 64 64 TYR N N 64 120.957 120.957 123.974 -3.017 25150 4332 1 7 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.344 1.336 25150 4333 1 7 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.618 -0.898 25150 4334 1 7 . 1 1 64 64 TYR H H 64 7.471 7.471 8.029 -0.558 25150 4335 1 7 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.391 0.279 25150 4336 1 7 . 1 1 65 65 PRO C C 65 174.345 174.345 177.456 -3.111 25150 4337 1 7 . 1 1 65 65 PRO CA C 65 63.460 63.460 63.767 -0.307 25150 4338 1 7 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.377 1.993 25150 4339 1 7 . 1 1 66 66 PHE N N 66 126.070 126.070 121.475 4.595 25150 4340 1 7 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.238 0.005 25150 4341 1 7 . 1 1 66 66 PHE C C 66 175.867 175.867 174.882 0.985 25150 4342 1 7 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.687 -0.607 25150 4343 1 7 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.407 -1.397 25150 4344 1 7 . 1 1 66 66 PHE H H 66 8.630 8.630 8.249 0.381 25150 4345 1 7 . 1 1 67 67 ASP N N 67 118.021 118.021 116.731 1.290 25150 4346 1 7 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.756 -0.797 25150 4347 1 7 . 1 1 67 67 ASP CA C 67 5.630 5.630 52.980 -47.349 25150 4348 1 7 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.589 -7.749 25150 4349 1 7 . 1 1 67 67 ASP H H 67 7.126 7.126 8.282 -1.156 25150 4350 1 7 . 1 1 68 68 SER N N 68 120.730 120.730 115.599 5.131 25150 4351 1 7 . 1 1 68 68 SER CA C 68 55.750 55.750 55.706 0.044 25150 4352 1 7 . 1 1 68 68 SER CB C 68 61.900 61.900 62.664 -0.764 25150 4353 1 7 . 1 1 68 68 SER H H 68 8.091 8.091 8.007 0.084 25150 4354 1 7 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.230 0.126 25150 4355 1 7 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.514 -0.434 25150 4356 1 7 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.613 0.097 25150 4357 1 7 . 1 1 70 70 GLN N N 70 119.493 119.493 121.528 -2.035 25150 4358 1 7 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.044 0.026 25150 4359 1 7 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.966 1.524 25150 4360 1 7 . 1 1 70 70 GLN H H 70 8.049 8.049 8.482 -0.433 25150 4361 1 7 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.052 0.348 25150 4362 1 7 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.641 -0.831 25150 4363 1 7 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.060 -0.220 25150 4364 1 7 . 1 1 72 72 MET N N 72 120.767 120.767 123.579 -2.812 25150 4365 1 7 . 1 1 72 72 MET HA H 72 4.731 4.731 5.011 -0.280 25150 4366 1 7 . 1 1 72 72 MET C C 72 174.779 174.779 175.085 -0.306 25150 4367 1 7 . 1 1 72 72 MET CA C 72 54.390 54.390 53.550 0.840 25150 4368 1 7 . 1 1 72 72 MET CB C 72 36.140 36.140 36.405 -0.265 25150 4369 1 7 . 1 1 72 72 MET H H 72 8.245 8.245 8.384 -0.139 25150 4370 1 7 . 1 1 73 73 PHE N N 73 120.458 120.458 126.183 -5.725 25150 4371 1 7 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.916 0.298 25150 4372 1 7 . 1 1 73 73 PHE C C 73 175.404 175.404 174.759 0.645 25150 4373 1 7 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.376 1.204 25150 4374 1 7 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.444 0.175 25150 4375 1 7 . 1 1 73 73 PHE H H 73 9.193 9.193 8.655 0.538 25150 4376 1 7 . 1 1 74 74 THR N N 74 113.842 113.842 120.353 -6.511 25150 4377 1 7 . 1 1 74 74 THR HA H 74 4.777 4.777 4.406 0.371 25150 4378 1 7 . 1 1 74 74 THR C C 74 173.551 173.551 172.609 0.942 25150 4379 1 7 . 1 1 74 74 THR CA C 74 59.580 59.580 60.299 -0.719 25150 4380 1 7 . 1 1 74 74 THR CB C 74 71.300 71.300 71.261 0.039 25150 4381 1 7 . 1 1 74 74 THR H H 74 8.894 8.894 7.846 1.048 25150 4382 1 7 . 1 1 75 75 GLY N N 75 109.259 109.259 112.701 -3.442 25150 4383 1 7 . 1 1 75 75 GLY C C 75 173.980 173.980 173.701 0.279 25150 4384 1 7 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.642 0.069 25150 4385 1 7 . 1 1 75 75 GLY H H 75 8.058 8.058 7.825 0.233 25150 4386 1 7 . 1 1 76 76 GLU N N 76 116.661 116.661 118.408 -1.747 25150 4387 1 7 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.391 -0.250 25150 4388 1 7 . 1 1 76 76 GLU C C 76 176.624 176.624 177.068 -0.444 25150 4389 1 7 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.894 1.146 25150 4390 1 7 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.206 0.704 25150 4391 1 7 . 1 1 76 76 GLU H H 76 8.356 8.356 8.477 -0.121 25150 4392 1 7 . 1 1 77 77 ASN N N 77 118.469 118.469 119.575 -1.106 25150 4393 1 7 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.823 0.287 25150 4394 1 7 . 1 1 77 77 ASN C C 77 176.525 176.525 174.554 1.971 25150 4395 1 7 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.705 -0.465 25150 4396 1 7 . 1 1 77 77 ASN CB C 77 39.710 39.710 37.588 2.122 25150 4397 1 7 . 1 1 77 77 ASN H H 77 8.614 8.614 8.431 0.183 25150 4398 1 7 . 1 1 78 78 ILE N N 78 117.605 117.605 123.450 -5.845 25150 4399 1 7 . 1 1 78 78 ILE CA C 78 59.390 59.390 59.342 0.048 25150 4400 1 7 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.864 3.776 25150 4401 1 7 . 1 1 78 78 ILE H H 78 7.736 7.736 7.879 -0.143 25150 4402 1 7 . 1 1 79 79 PRO C C 79 176.134 176.134 176.100 0.034 25150 4403 1 7 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.101 0.729 25150 4404 1 7 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.057 -0.897 25150 4405 1 7 . 1 1 80 80 VAL N N 80 123.378 123.378 122.562 0.816 25150 4406 1 7 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.795 0.035 25150 4407 1 7 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.837 -1.917 25150 4408 1 7 . 1 1 80 80 VAL H H 80 8.297 8.297 8.478 -0.181 25150 4409 1 7 . 1 1 82 82 PRO C C 82 176.169 176.169 176.559 -0.390 25150 4410 1 7 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.617 0.093 25150 4411 1 7 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.669 0.001 25150 4412 1 7 . 1 1 83 83 HIS N N 83 121.199 121.199 112.227 8.972 25150 4413 1 7 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.859 -0.018 25150 4414 1 7 . 1 1 83 83 HIS C C 83 173.457 173.457 173.648 -0.191 25150 4415 1 7 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.337 -0.658 25150 4416 1 7 . 1 1 83 83 HIS CB C 83 31.230 31.230 31.277 -0.047 25150 4417 1 7 . 1 1 83 83 HIS H H 83 10.996 10.996 8.566 2.430 25150 4418 1 7 . 1 1 84 84 VAL N N 84 121.050 121.050 121.536 -0.486 25150 4419 1 7 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.583 0.194 25150 4420 1 7 . 1 1 84 84 VAL C C 84 175.155 175.155 174.266 0.889 25150 4421 1 7 . 1 1 84 84 VAL CA C 84 61.100 61.100 61.114 -0.014 25150 4422 1 7 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.090 1.020 25150 4423 1 7 . 1 1 84 84 VAL H H 84 8.058 8.058 7.440 0.618 25150 4424 1 7 . 1 1 85 85 TYR N N 85 126.195 126.195 124.922 1.273 25150 4425 1 7 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.804 -0.119 25150 4426 1 7 . 1 1 85 85 TYR C C 85 179.268 179.268 177.459 1.809 25150 4427 1 7 . 1 1 85 85 TYR CA C 85 59.390 59.390 56.980 2.410 25150 4428 1 7 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.670 0.600 25150 4429 1 7 . 1 1 85 85 TYR H H 85 9.136 9.136 9.000 0.136 25150 4430 1 7 . 1 1 86 86 SER N N 86 115.546 115.546 118.359 -2.813 25150 4431 1 7 . 1 1 86 86 SER HA H 86 3.935 3.935 4.218 -0.283 25150 4432 1 7 . 1 1 86 86 SER C C 86 174.309 174.309 174.580 -0.271 25150 4433 1 7 . 1 1 86 86 SER CA C 86 61.890 61.890 60.314 1.576 25150 4434 1 7 . 1 1 86 86 SER CB C 86 62.230 62.230 63.217 -0.987 25150 4435 1 7 . 1 1 86 86 SER H H 86 10.052 10.052 8.846 1.206 25150 4436 1 7 . 1 1 87 87 ASN N N 87 116.470 116.470 116.560 -0.090 25150 4437 1 7 . 1 1 87 87 ASN C C 87 175.624 175.624 175.924 -0.300 25150 4438 1 7 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.529 -0.189 25150 4439 1 7 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.908 -0.418 25150 4440 1 7 . 1 1 87 87 ASN H H 87 7.331 7.331 8.162 -0.831 25150 4441 1 7 . 1 1 88 88 GLY N N 88 108.412 108.412 107.782 0.630 25150 4442 1 7 . 1 1 88 88 GLY C C 88 174.247 174.247 174.079 0.168 25150 4443 1 7 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.127 0.783 25150 4444 1 7 . 1 1 88 88 GLY H H 88 8.737 8.737 8.182 0.555 25150 4445 1 7 . 1 1 89 89 HIS N N 89 119.508 119.508 122.716 -3.208 25150 4446 1 7 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.188 -0.888 25150 4447 1 7 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.976 0.884 25150 4448 1 7 . 1 1 89 89 HIS H H 89 7.494 7.494 8.922 -1.428 25150 4449 1 7 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.595 -0.181 25150 4450 1 7 . 1 1 90 90 ILE C C 90 174.510 174.510 176.098 -1.588 25150 4451 1 7 . 1 1 90 90 ILE CA C 90 58.320 58.320 58.966 -0.646 25150 4452 1 7 . 1 1 90 90 ILE CB C 90 39.280 39.280 37.585 1.695 25150 4453 1 7 . 1 1 91 91 CYS N N 91 123.587 123.587 128.854 -5.267 25150 4454 1 7 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.840 5.740 25150 4455 1 7 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.547 6.843 25150 4456 1 7 . 1 1 91 91 CYS H H 91 7.304 7.304 8.984 -1.680 25150 4457 1 7 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.664 0.006 25150 4458 1 7 . 1 1 92 92 LEU C C 92 175.822 175.822 176.921 -1.099 25150 4459 1 7 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.490 5.970 25150 4460 1 7 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.152 -3.732 25150 4461 1 7 . 1 1 93 93 SER N N 93 111.707 111.707 123.941 -12.234 25150 4462 1 7 . 1 1 93 93 SER HA H 93 4.331 4.331 4.243 0.088 25150 4463 1 7 . 1 1 93 93 SER C C 93 177.433 177.433 176.354 1.079 25150 4464 1 7 . 1 1 93 93 SER CA C 93 62.150 62.150 60.921 1.229 25150 4465 1 7 . 1 1 93 93 SER H H 93 9.037 9.037 8.813 0.224 25150 4466 1 7 . 1 1 94 94 ILE N N 94 118.993 118.993 121.248 -2.255 25150 4467 1 7 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.810 169.728 25150 4468 1 7 . 1 1 94 94 ILE CA C 94 64.310 64.310 64.104 0.206 25150 4469 1 7 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.837 0.063 25150 4470 1 7 . 1 1 94 94 ILE H H 94 7.859 7.859 8.128 -0.269 25150 4471 1 7 . 1 1 95 95 LEU N N 95 113.763 113.763 117.285 -3.522 25150 4472 1 7 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.242 0.410 25150 4473 1 7 . 1 1 95 95 LEU C C 95 178.458 178.458 177.381 1.077 25150 4474 1 7 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.877 -0.547 25150 4475 1 7 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.364 0.717 25150 4476 1 7 . 1 1 95 95 LEU H H 95 7.351 7.351 7.923 -0.572 25150 4477 1 7 . 1 1 96 96 THR N N 96 109.929 109.929 110.707 -0.778 25150 4478 1 7 . 1 1 96 96 THR HA H 96 4.338 4.338 4.462 -0.124 25150 4479 1 7 . 1 1 96 96 THR C C 96 175.947 175.947 175.383 0.564 25150 4480 1 7 . 1 1 96 96 THR CA C 96 60.960 60.960 62.137 -1.177 25150 4481 1 7 . 1 1 96 96 THR CB C 96 69.280 69.280 69.318 -0.038 25150 4482 1 7 . 1 1 96 96 THR H H 96 7.794 7.794 7.780 0.014 25150 4483 1 7 . 1 1 97 97 GLU N N 97 123.314 123.314 121.799 1.515 25150 4484 1 7 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.086 0.231 25150 4485 1 7 . 1 1 97 97 GLU C C 97 176.907 176.907 176.624 0.283 25150 4486 1 7 . 1 1 97 97 GLU CA C 97 58.680 58.680 59.401 -0.721 25150 4487 1 7 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.512 1.278 25150 4488 1 7 . 1 1 97 97 GLU H H 97 8.913 8.913 8.550 0.363 25150 4489 1 7 . 1 1 98 98 ASP N N 98 116.420 116.420 116.951 -0.531 25150 4490 1 7 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.990 0.200 25150 4491 1 7 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.000 0.500 25150 4492 1 7 . 1 1 98 98 ASP H H 98 8.124 8.124 8.080 0.044 25150 4493 1 7 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.506 -0.086 25150 4494 1 7 . 1 1 99 99 TRP C C 99 176.495 176.495 174.887 1.608 25150 4495 1 7 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.784 0.646 25150 4496 1 7 . 1 1 99 99 TRP CB C 99 29.580 29.580 29.910 -0.330 25150 4497 1 7 . 1 1 100 100 SER N N 100 120.993 120.993 121.249 -0.256 25150 4498 1 7 . 1 1 100 100 SER CA C 100 55.370 55.370 54.391 0.979 25150 4499 1 7 . 1 1 100 100 SER CB C 100 64.860 64.860 64.362 0.498 25150 4500 1 7 . 1 1 100 100 SER H H 100 5.703 5.703 7.007 -1.304 25150 4501 1 7 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.222 -0.029 25150 4502 1 7 . 1 1 101 101 PRO C C 101 175.227 175.227 177.032 -1.805 25150 4503 1 7 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.880 -1.180 25150 4504 1 7 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.749 -0.329 25150 4505 1 7 . 1 1 102 102 ALA N N 102 118.668 118.668 118.731 -0.063 25150 4506 1 7 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.156 -0.062 25150 4507 1 7 . 1 1 102 102 ALA C C 102 178.797 178.797 177.698 1.099 25150 4508 1 7 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.722 0.108 25150 4509 1 7 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.839 0.171 25150 4510 1 7 . 1 1 102 102 ALA H H 102 7.290 7.290 7.271 0.019 25150 4511 1 7 . 1 1 103 103 LEU N N 103 119.365 119.365 119.081 0.284 25150 4512 1 7 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.102 0.108 25150 4513 1 7 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.960 -1.250 25150 4514 1 7 . 1 1 103 103 LEU H H 103 7.263 7.263 7.212 0.051 25150 4515 1 7 . 1 1 104 104 SER HA H 104 4.381 4.381 4.916 -0.535 25150 4516 1 7 . 1 1 104 104 SER C C 104 175.278 175.278 175.603 -0.325 25150 4517 1 7 . 1 1 104 104 SER CA C 104 56.500 56.500 56.625 -0.125 25150 4518 1 7 . 1 1 104 104 SER CB C 104 66.770 66.770 65.843 0.927 25150 4519 1 7 . 1 1 105 105 VAL N N 105 123.025 123.025 121.611 1.414 25150 4520 1 7 . 1 1 105 105 VAL HA H 105 3.612 3.612 4.035 -0.423 25150 4521 1 7 . 1 1 105 105 VAL C C 105 179.053 179.053 177.027 2.026 25150 4522 1 7 . 1 1 105 105 VAL CA C 105 68.070 68.070 65.272 2.798 25150 4523 1 7 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.953 -0.332 25150 4524 1 7 . 1 1 105 105 VAL H H 105 9.841 9.841 9.525 0.316 25150 4525 1 7 . 1 1 106 106 GLN N N 106 121.218 121.218 120.288 0.930 25150 4526 1 7 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.049 -0.194 25150 4527 1 7 . 1 1 106 106 GLN C C 106 177.698 177.698 177.970 -0.272 25150 4528 1 7 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.554 1.576 25150 4529 1 7 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.415 -0.185 25150 4530 1 7 . 1 1 106 106 GLN H H 106 9.109 9.109 8.481 0.628 25150 4531 1 7 . 1 1 107 107 SER N N 107 115.531 115.531 116.923 -1.392 25150 4532 1 7 . 1 1 107 107 SER C C 107 177.828 177.828 176.793 1.035 25150 4533 1 7 . 1 1 107 107 SER CA C 107 62.500 62.500 62.624 -0.124 25150 4534 1 7 . 1 1 107 107 SER CB C 107 62.670 62.670 62.810 -0.140 25150 4535 1 7 . 1 1 107 107 SER H H 107 8.209 8.209 8.264 -0.055 25150 4536 1 7 . 1 1 108 108 VAL N N 108 123.756 123.756 122.285 1.471 25150 4537 1 7 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.758 -0.097 25150 4538 1 7 . 1 1 108 108 VAL C C 108 178.087 178.087 177.776 0.311 25150 4539 1 7 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.705 0.265 25150 4540 1 7 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.837 -0.127 25150 4541 1 7 . 1 1 108 108 VAL H H 108 8.256 8.256 7.769 0.487 25150 4542 1 7 . 1 1 109 109 CYS N N 109 118.175 118.175 118.135 0.040 25150 4543 1 7 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.282 -0.347 25150 4544 1 7 . 1 1 109 109 CYS C C 109 176.918 176.918 177.021 -0.103 25150 4545 1 7 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.657 1.233 25150 4546 1 7 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.836 0.964 25150 4547 1 7 . 1 1 109 109 CYS H H 109 8.781 8.781 8.190 0.591 25150 4548 1 7 . 1 1 110 110 LEU N N 110 118.491 118.491 120.594 -2.103 25150 4549 1 7 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.049 0.061 25150 4550 1 7 . 1 1 110 110 LEU C C 110 180.150 180.150 179.309 0.841 25150 4551 1 7 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.988 0.492 25150 4552 1 7 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.557 -0.547 25150 4553 1 7 . 1 1 110 110 LEU H H 110 8.543 8.543 8.471 0.072 25150 4554 1 7 . 1 1 111 111 SER N N 111 117.917 117.917 115.950 1.967 25150 4555 1 7 . 1 1 111 111 SER C C 111 177.009 177.009 177.176 -0.167 25150 4556 1 7 . 1 1 111 111 SER CA C 111 63.050 63.050 62.275 0.775 25150 4557 1 7 . 1 1 111 111 SER CB C 111 62.980 62.980 63.062 -0.082 25150 4558 1 7 . 1 1 111 111 SER H H 111 8.181 8.181 8.332 -0.151 25150 4559 1 7 . 1 1 112 112 ILE N N 112 124.764 124.764 123.511 1.253 25150 4560 1 7 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.706 -0.033 25150 4561 1 7 . 1 1 112 112 ILE C C 112 177.441 177.441 177.722 -0.281 25150 4562 1 7 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.246 0.184 25150 4563 1 7 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.847 0.103 25150 4564 1 7 . 1 1 112 112 ILE H H 112 8.249 8.249 8.221 0.028 25150 4565 1 7 . 1 1 113 113 ILE N N 113 121.123 121.123 120.527 0.596 25150 4566 1 7 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.635 -0.039 25150 4567 1 7 . 1 1 113 113 ILE C C 113 179.525 179.525 178.418 1.107 25150 4568 1 7 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.406 0.854 25150 4569 1 7 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.859 0.921 25150 4570 1 7 . 1 1 113 113 ILE H H 113 8.415 8.415 8.023 0.392 25150 4571 1 7 . 1 1 114 114 SER N N 114 115.247 115.247 116.396 -1.149 25150 4572 1 7 . 1 1 114 114 SER HA H 114 4.300 4.300 4.316 -0.016 25150 4573 1 7 . 1 1 114 114 SER C C 114 176.915 176.915 176.779 0.136 25150 4574 1 7 . 1 1 114 114 SER CA C 114 61.510 61.510 61.326 0.184 25150 4575 1 7 . 1 1 114 114 SER CB C 114 62.990 62.990 62.998 -0.008 25150 4576 1 7 . 1 1 114 114 SER H H 114 8.241 8.241 8.079 0.162 25150 4577 1 7 . 1 1 115 115 MET N N 115 122.921 122.921 123.021 -0.100 25150 4578 1 7 . 1 1 115 115 MET C C 115 179.552 179.552 179.121 0.431 25150 4579 1 7 . 1 1 115 115 MET CA C 115 59.030 59.030 59.367 -0.337 25150 4580 1 7 . 1 1 115 115 MET CB C 115 33.040 33.040 32.465 0.575 25150 4581 1 7 . 1 1 115 115 MET H H 115 8.216 8.216 8.055 0.161 25150 4582 1 7 . 1 1 116 116 LEU N N 116 120.553 120.553 118.662 1.891 25150 4583 1 7 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.934 0.143 25150 4584 1 7 . 1 1 116 116 LEU C C 116 179.264 179.264 179.081 0.183 25150 4585 1 7 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.001 1.769 25150 4586 1 7 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.654 -1.024 25150 4587 1 7 . 1 1 116 116 LEU H H 116 7.981 7.981 7.909 0.072 25150 4588 1 7 . 1 1 117 117 SER N N 117 114.100 114.100 111.830 2.270 25150 4589 1 7 . 1 1 117 117 SER HA H 117 4.342 4.342 4.391 -0.049 25150 4590 1 7 . 1 1 117 117 SER C C 117 175.042 175.042 175.244 -0.202 25150 4591 1 7 . 1 1 117 117 SER CA C 117 61.700 61.700 60.199 1.501 25150 4592 1 7 . 1 1 117 117 SER CB C 117 63.120 63.120 63.898 -0.778 25150 4593 1 7 . 1 1 117 117 SER H H 117 8.467 8.467 8.003 0.464 25150 4594 1 7 . 1 1 118 118 SER N N 118 113.628 113.628 117.719 -4.091 25150 4595 1 7 . 1 1 118 118 SER HA H 118 4.485 4.485 4.657 -0.172 25150 4596 1 7 . 1 1 118 118 SER C C 118 174.142 174.142 173.644 0.498 25150 4597 1 7 . 1 1 118 118 SER CA C 118 59.000 59.000 56.671 2.329 25150 4598 1 7 . 1 1 118 118 SER CB C 118 64.040 64.040 63.183 0.857 25150 4599 1 7 . 1 1 118 118 SER H H 118 8.037 8.037 7.965 0.072 25150 4600 1 7 . 1 1 119 119 CYS N N 119 122.293 122.293 125.744 -3.451 25150 4601 1 7 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.325 -0.135 25150 4602 1 7 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.412 -0.142 25150 4603 1 7 . 1 1 119 119 CYS H H 119 7.250 7.250 8.644 -1.394 25150 4604 1 7 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.191 0.349 25150 4605 1 7 . 1 1 120 120 LYS C C 120 176.345 176.345 176.303 0.042 25150 4606 1 7 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.133 7.917 25150 4607 1 7 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.611 0.939 25150 4608 1 7 . 1 1 121 121 GLU N N 121 120.936 120.936 126.509 -5.573 25150 4609 1 7 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.130 0.099 25150 4610 1 7 . 1 1 121 121 GLU C C 121 174.053 174.053 176.258 -2.205 25150 4611 1 7 . 1 1 121 121 GLU CA C 121 56.190 56.190 57.746 -1.556 25150 4612 1 7 . 1 1 121 121 GLU CB C 121 32.690 32.690 29.976 2.714 25150 4613 1 7 . 1 1 121 121 GLU H H 121 7.700 7.700 8.606 -0.906 25150 4614 1 7 . 1 1 122 122 LYS N N 122 127.472 127.472 124.716 2.756 25150 4615 1 7 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.294 -0.432 25150 4616 1 7 . 1 1 122 122 LYS C C 122 174.440 174.440 176.009 -1.569 25150 4617 1 7 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.078 2.202 25150 4618 1 7 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.698 -0.288 25150 4619 1 7 . 1 1 122 122 LYS H H 122 8.890 8.890 8.514 0.376 25150 4620 1 7 . 1 1 123 123 ARG N N 123 123.268 123.268 121.876 1.392 25150 4621 1 7 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.228 0.042 25150 4622 1 7 . 1 1 123 123 ARG C C 123 172.653 172.653 175.904 -3.251 25150 4623 1 7 . 1 1 123 123 ARG CA C 123 54.580 54.580 56.284 -1.704 25150 4624 1 7 . 1 1 123 123 ARG CB C 123 32.230 32.230 30.433 1.797 25150 4625 1 7 . 1 1 123 123 ARG H H 123 6.841 6.841 7.767 -0.926 25150 4626 1 7 . 1 1 124 124 ARG N N 124 116.787 116.787 127.666 -10.879 25150 4627 1 7 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.484 0.226 25150 4628 1 7 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.808 -0.728 25150 4629 1 7 . 1 1 124 124 ARG H H 124 8.044 8.044 8.426 -0.382 25150 4630 1 7 . 1 1 126 126 PRO CA C 126 64.800 64.800 65.005 -0.205 25150 4631 1 7 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.835 -0.055 25150 4632 1 7 . 1 1 127 127 ASP N N 127 115.165 115.165 115.576 -0.411 25150 4633 1 7 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.808 0.316 25150 4634 1 7 . 1 1 127 127 ASP C C 127 172.871 172.871 176.544 -3.673 25150 4635 1 7 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.705 -1.035 25150 4636 1 7 . 1 1 127 127 ASP CB C 127 39.140 39.140 39.882 -0.742 25150 4637 1 7 . 1 1 127 127 ASP H H 127 8.711 8.711 8.554 0.157 25150 4638 1 7 . 1 1 128 128 ASN N N 128 127.858 127.858 120.676 7.182 25150 4639 1 7 . 1 1 128 128 ASN CA C 128 56.480 56.480 56.956 -0.476 25150 4640 1 7 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.879 -0.319 25150 4641 1 7 . 1 1 128 128 ASN H H 128 8.502 8.502 8.338 0.164 25150 4642 1 7 . 1 1 129 129 SER C C 129 176.346 176.346 176.224 0.122 25150 4643 1 7 . 1 1 129 129 SER CA C 129 62.330 62.330 61.261 1.069 25150 4644 1 7 . 1 1 130 130 PHE N N 130 121.897 121.897 123.332 -1.435 25150 4645 1 7 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.076 0.044 25150 4646 1 7 . 1 1 130 130 PHE C C 130 177.740 177.740 176.977 0.763 25150 4647 1 7 . 1 1 130 130 PHE CA C 130 60.960 60.960 60.936 0.024 25150 4648 1 7 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.804 0.956 25150 4649 1 7 . 1 1 130 130 PHE H H 130 8.022 8.022 7.934 0.088 25150 4650 1 7 . 1 1 131 131 TYR N N 131 122.173 122.173 117.468 4.705 25150 4651 1 7 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.125 -0.379 25150 4652 1 7 . 1 1 131 131 TYR C C 131 178.140 178.140 178.217 -0.077 25150 4653 1 7 . 1 1 131 131 TYR CA C 131 62.290 62.290 60.773 1.517 25150 4654 1 7 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.023 1.517 25150 4655 1 7 . 1 1 131 131 TYR H H 131 8.871 8.871 8.070 0.801 25150 4656 1 7 . 1 1 132 132 VAL N N 132 116.993 116.993 118.673 -1.680 25150 4657 1 7 . 1 1 132 132 VAL C C 132 178.082 178.082 178.522 -0.440 25150 4658 1 7 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.206 0.124 25150 4659 1 7 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.506 -0.056 25150 4660 1 7 . 1 1 132 132 VAL H H 132 8.551 8.551 8.210 0.341 25150 4661 1 7 . 1 1 133 133 ARG N N 133 118.860 118.860 117.737 1.123 25150 4662 1 7 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.818 0.162 25150 4663 1 7 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.374 -0.124 25150 4664 1 7 . 1 1 133 133 ARG H H 133 7.545 7.545 8.019 -0.474 25150 4665 1 7 . 1 1 134 134 THR CA C 134 62.280 62.280 62.208 0.072 25150 4666 1 7 . 1 1 134 134 THR CB C 134 69.790 69.790 68.744 1.046 25150 4667 1 7 . 1 1 135 135 CYS N N 135 125.959 125.959 121.715 4.244 25150 4668 1 7 . 1 1 135 135 CYS CA C 135 59.760 59.760 59.215 0.545 25150 4669 1 7 . 1 1 135 135 CYS CB C 135 39.010 39.010 29.322 9.688 25150 4670 1 7 . 1 1 135 135 CYS H H 135 7.881 7.881 7.548 0.333 25150 4671 1 7 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.604 -0.594 25150 4672 1 7 . 1 1 136 136 ASN C C 136 177.768 177.768 175.724 2.044 25150 4673 1 7 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.333 -0.173 25150 4674 1 7 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.663 -0.193 25150 4675 1 7 . 1 1 137 137 LYS N N 137 119.224 119.224 120.285 -1.061 25150 4676 1 7 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.510 -0.314 25150 4677 1 7 . 1 1 137 137 LYS C C 137 176.185 176.185 175.148 1.037 25150 4678 1 7 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.166 1.814 25150 4679 1 7 . 1 1 137 137 LYS CB C 137 32.870 32.870 33.958 -1.088 25150 4680 1 7 . 1 1 137 137 LYS H H 137 7.678 7.678 7.572 0.106 25150 4681 1 7 . 1 1 138 138 ASN N N 138 117.174 117.174 120.497 -3.323 25150 4682 1 7 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.748 -0.218 25150 4683 1 7 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.180 0.760 25150 4684 1 7 . 1 1 138 138 ASN H H 138 7.969 7.969 8.365 -0.396 25150 4685 1 7 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.384 0.014 25150 4686 1 7 . 1 1 139 139 PRO C C 139 177.335 177.335 176.614 0.721 25150 4687 1 7 . 1 1 139 139 PRO CA C 139 63.850 63.850 63.092 0.758 25150 4688 1 7 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.463 -0.353 25150 4689 1 7 . 1 1 140 140 LYS N N 140 118.218 118.218 125.179 -6.961 25150 4690 1 7 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.505 28.145 25150 4691 1 7 . 1 1 140 140 LYS C C 140 176.564 176.564 176.633 -0.069 25150 4692 1 7 . 1 1 140 140 LYS CA C 140 56.990 56.990 57.564 -0.574 25150 4693 1 7 . 1 1 140 140 LYS H H 140 8.108 8.108 8.596 -0.488 25150 4694 1 7 . 1 1 141 141 LYS N N 141 119.276 119.276 121.031 -1.755 25150 4695 1 7 . 1 1 141 141 LYS C C 141 177.924 177.924 176.402 1.522 25150 4696 1 7 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.425 -0.325 25150 4697 1 7 . 1 1 141 141 LYS CB C 141 29.780 29.780 33.318 -3.538 25150 4698 1 7 . 1 1 141 141 LYS H H 141 8.135 8.135 8.734 -0.599 25150 4699 1 7 . 1 1 142 142 THR N N 142 115.380 115.380 113.032 2.348 25150 4700 1 7 . 1 1 142 142 THR CA C 142 61.850 61.850 60.827 1.023 25150 4701 1 7 . 1 1 142 142 THR CB C 142 69.660 69.660 69.943 -0.283 25150 4702 1 7 . 1 1 142 142 THR H H 142 8.030 8.030 7.546 0.484 25150 4703 1 7 . 1 1 143 143 LYS C C 143 178.955 178.955 175.690 3.265 25150 4704 1 7 . 1 1 144 144 TRP N N 144 120.470 120.470 125.501 -5.031 25150 4705 1 7 . 1 1 144 144 TRP C C 144 176.557 176.557 176.560 -0.003 25150 4706 1 7 . 1 1 144 144 TRP CA C 144 57.870 57.870 55.856 2.014 25150 4707 1 7 . 1 1 144 144 TRP CB C 144 33.000 33.000 31.072 1.928 25150 4708 1 7 . 1 1 144 144 TRP H H 144 8.094 8.094 8.412 -0.318 25150 4709 1 7 . 1 1 145 145 TRP N N 145 120.330 120.330 123.360 -3.030 25150 4710 1 7 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.899 0.221 25150 4711 1 7 . 1 1 145 145 TRP CB C 145 32.850 32.850 29.011 3.839 25150 4712 1 7 . 1 1 145 145 TRP H H 145 8.488 8.488 8.327 0.161 25150 4713 1 7 . 1 1 146 146 TYR C C 146 174.706 174.706 175.014 -0.308 25150 4714 1 7 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.819 -0.389 25150 4715 1 7 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.188 0.552 25150 4716 1 7 . 1 1 147 147 HIS N N 147 121.604 121.604 126.441 -4.837 25150 4717 1 7 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.462 -0.276 25150 4718 1 7 . 1 1 147 147 HIS C C 147 176.874 176.874 173.730 3.144 25150 4719 1 7 . 1 1 147 147 HIS CA C 147 56.240 56.240 54.994 1.246 25150 4720 1 7 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.573 0.627 25150 4721 1 7 . 1 1 147 147 HIS H H 147 7.886 7.886 7.600 0.286 25150 4722 1 7 . 1 1 148 148 ASP N N 148 122.629 122.629 125.057 -2.428 25150 4723 1 7 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.448 0.096 25150 4724 1 7 . 1 1 148 148 ASP C C 148 175.661 175.661 176.666 -1.005 25150 4725 1 7 . 1 1 148 148 ASP CA C 148 54.180 54.180 52.502 1.678 25150 4726 1 7 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.938 0.742 25150 4727 1 7 . 1 1 148 148 ASP H H 148 8.109 8.109 8.498 -0.389 25150 4728 1 7 . 1 1 149 149 ASP N N 149 121.321 121.321 127.601 -6.280 25150 4729 1 7 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.463 0.191 25150 4730 1 7 . 1 1 149 149 ASP C C 149 176.551 176.551 177.416 -0.865 25150 4731 1 7 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.926 -1.316 25150 4732 1 7 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.702 0.658 25150 4733 1 7 . 1 1 149 149 ASP H H 149 8.395 8.395 8.298 0.097 25150 4734 1 7 . 1 1 150 150 THR N N 150 113.450 113.450 113.111 0.339 25150 4735 1 7 . 1 1 150 150 THR HA H 150 4.296 4.296 4.301 -0.005 25150 4736 1 7 . 1 1 150 150 THR C C 150 173.994 173.994 175.439 -1.445 25150 4737 1 7 . 1 1 150 150 THR CA C 150 62.310 62.310 61.957 0.353 25150 4738 1 7 . 1 1 150 150 THR CB C 150 69.870 69.870 69.354 0.516 25150 4739 1 7 . 1 1 150 150 THR H H 150 8.259 8.259 8.262 -0.003 25150 4740 1 8 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.295 -0.001 25150 4741 1 8 . 1 1 6 6 LYS C C 6 176.970 176.970 179.110 -2.140 25150 4742 1 8 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.432 -1.062 25150 4743 1 8 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.312 0.168 25150 4744 1 8 . 1 1 7 7 ARG N N 7 119.704 119.704 120.231 -0.527 25150 4745 1 8 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.106 0.092 25150 4746 1 8 . 1 1 7 7 ARG C C 7 178.270 178.270 178.459 -0.189 25150 4747 1 8 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.514 0.516 25150 4748 1 8 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.556 -0.996 25150 4749 1 8 . 1 1 7 7 ARG H H 7 8.599 8.599 7.774 0.825 25150 4750 1 8 . 1 1 8 8 LEU N N 8 119.704 119.704 120.870 -1.166 25150 4751 1 8 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.085 0.005 25150 4752 1 8 . 1 1 8 8 LEU C C 8 178.980 178.980 178.801 0.179 25150 4753 1 8 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.192 0.098 25150 4754 1 8 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.630 0.430 25150 4755 1 8 . 1 1 8 8 LEU H H 8 8.599 8.599 8.191 0.408 25150 4756 1 8 . 1 1 9 9 GLN N N 9 117.512 117.512 118.022 -0.510 25150 4757 1 8 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.994 0.043 25150 4758 1 8 . 1 1 9 9 GLN C C 9 178.610 178.610 178.637 -0.027 25150 4759 1 8 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.461 -0.151 25150 4760 1 8 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.497 -0.017 25150 4761 1 8 . 1 1 9 9 GLN H H 9 8.066 8.066 8.300 -0.234 25150 4762 1 8 . 1 1 10 10 LYS N N 10 119.556 119.556 120.244 -0.688 25150 4763 1 8 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.987 0.093 25150 4764 1 8 . 1 1 10 10 LYS C C 10 180.040 180.040 179.232 0.808 25150 4765 1 8 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.830 -0.150 25150 4766 1 8 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.300 0.160 25150 4767 1 8 . 1 1 10 10 LYS H H 10 7.678 7.678 8.291 -0.613 25150 4768 1 8 . 1 1 11 11 GLU N N 11 120.347 120.347 119.874 0.473 25150 4769 1 8 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.055 0.121 25150 4770 1 8 . 1 1 11 11 GLU C C 11 178.770 178.770 178.730 0.040 25150 4771 1 8 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.505 1.535 25150 4772 1 8 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.702 0.958 25150 4773 1 8 . 1 1 11 11 GLU H H 11 8.533 8.533 8.147 0.386 25150 4774 1 8 . 1 1 12 12 LEU N N 12 123.285 123.285 122.103 1.182 25150 4775 1 8 . 1 1 12 12 LEU C C 12 178.570 178.570 178.185 0.385 25150 4776 1 8 . 1 1 12 12 LEU CA C 12 58.120 58.120 58.154 -0.034 25150 4777 1 8 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.717 -0.637 25150 4778 1 8 . 1 1 12 12 LEU H H 12 8.685 8.685 8.373 0.312 25150 4779 1 8 . 1 1 13 13 LEU N N 13 118.881 118.881 118.057 0.824 25150 4780 1 8 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.148 -0.151 25150 4781 1 8 . 1 1 13 13 LEU C C 13 179.260 179.260 179.168 0.092 25150 4782 1 8 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.678 0.222 25150 4783 1 8 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.371 0.519 25150 4784 1 8 . 1 1 13 13 LEU H H 13 7.588 7.588 8.039 -0.451 25150 4785 1 8 . 1 1 14 14 ALA N N 14 120.667 120.667 122.675 -2.008 25150 4786 1 8 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.998 0.192 25150 4787 1 8 . 1 1 14 14 ALA C C 14 176.270 176.270 179.669 -3.399 25150 4788 1 8 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.273 -0.083 25150 4789 1 8 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.134 -0.104 25150 4790 1 8 . 1 1 14 14 ALA H H 14 7.617 7.617 8.105 -0.488 25150 4791 1 8 . 1 1 15 15 LEU N N 15 119.965 119.965 118.459 1.506 25150 4792 1 8 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.370 0.080 25150 4793 1 8 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.712 0.548 25150 4794 1 8 . 1 1 15 15 LEU H H 15 7.726 7.726 8.070 -0.344 25150 4795 1 8 . 1 1 16 16 GLN N N 16 115.381 115.381 117.075 -1.694 25150 4796 1 8 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.963 0.015 25150 4797 1 8 . 1 1 16 16 GLN C C 16 177.950 177.950 178.211 -0.261 25150 4798 1 8 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.303 0.157 25150 4799 1 8 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.795 0.995 25150 4800 1 8 . 1 1 16 16 GLN H H 16 8.028 8.028 8.036 -0.008 25150 4801 1 8 . 1 1 17 17 ASN N N 17 114.975 114.975 116.736 -1.761 25150 4802 1 8 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.596 0.034 25150 4803 1 8 . 1 1 17 17 ASN C C 17 175.303 175.303 175.437 -0.134 25150 4804 1 8 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.081 -0.202 25150 4805 1 8 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.305 0.545 25150 4806 1 8 . 1 1 17 17 ASN H H 17 8.136 8.136 8.173 -0.037 25150 4807 1 8 . 1 1 18 18 ASP N N 18 119.698 119.698 118.782 0.916 25150 4808 1 8 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.239 1.221 25150 4809 1 8 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.179 -0.669 25150 4810 1 8 . 1 1 18 18 ASP H H 18 8.218 8.218 8.066 0.152 25150 4811 1 8 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.322 -0.007 25150 4812 1 8 . 1 1 21 21 PRO C C 21 177.867 177.867 177.737 0.130 25150 4813 1 8 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.241 -0.421 25150 4814 1 8 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.303 0.267 25150 4815 1 8 . 1 1 22 22 GLY N N 22 111.293 111.293 111.204 0.089 25150 4816 1 8 . 1 1 22 22 GLY C C 22 174.342 174.342 173.827 0.515 25150 4817 1 8 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.246 0.744 25150 4818 1 8 . 1 1 22 22 GLY H H 22 8.506 8.506 8.741 -0.235 25150 4819 1 8 . 1 1 23 23 MET N N 23 118.966 118.966 119.377 -0.411 25150 4820 1 8 . 1 1 23 23 MET HA H 23 5.699 5.699 5.288 0.411 25150 4821 1 8 . 1 1 23 23 MET C C 23 175.386 175.386 174.887 0.499 25150 4822 1 8 . 1 1 23 23 MET CA C 23 55.270 55.270 54.901 0.369 25150 4823 1 8 . 1 1 23 23 MET CB C 23 35.890 35.890 36.925 -1.035 25150 4824 1 8 . 1 1 23 23 MET H H 23 8.017 8.017 8.006 0.011 25150 4825 1 8 . 1 1 24 24 THR N N 24 112.647 112.647 119.196 -6.549 25150 4826 1 8 . 1 1 24 24 THR HA H 24 4.596 4.596 4.715 -0.119 25150 4827 1 8 . 1 1 24 24 THR C C 24 173.407 173.407 173.220 0.187 25150 4828 1 8 . 1 1 24 24 THR CA C 24 60.850 60.850 61.340 -0.490 25150 4829 1 8 . 1 1 24 24 THR CB C 24 72.360 72.360 71.893 0.467 25150 4830 1 8 . 1 1 24 24 THR H H 24 8.565 8.565 9.242 -0.677 25150 4831 1 8 . 1 1 25 25 LEU N N 25 126.920 126.920 128.517 -1.597 25150 4832 1 8 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.328 -0.032 25150 4833 1 8 . 1 1 25 25 LEU C C 25 175.624 175.624 176.034 -0.410 25150 4834 1 8 . 1 1 25 25 LEU CA C 25 56.170 56.170 55.311 0.859 25150 4835 1 8 . 1 1 25 25 LEU CB C 25 42.710 42.710 42.361 0.349 25150 4836 1 8 . 1 1 25 25 LEU H H 25 9.189 9.189 8.776 0.413 25150 4837 1 8 . 1 1 26 26 ASN N N 26 127.108 127.108 127.912 -0.804 25150 4838 1 8 . 1 1 26 26 ASN C C 26 173.783 173.783 173.751 0.032 25150 4839 1 8 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.185 1.915 25150 4840 1 8 . 1 1 26 26 ASN CB C 26 40.370 40.370 38.097 2.273 25150 4841 1 8 . 1 1 26 26 ASN H H 26 9.000 9.000 8.747 0.253 25150 4842 1 8 . 1 1 27 27 GLU N N 27 108.990 108.990 121.313 -12.323 25150 4843 1 8 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.609 1.001 25150 4844 1 8 . 1 1 27 27 GLU H H 27 7.631 7.631 7.551 0.080 25150 4845 1 8 . 1 1 30 30 VAL C C 30 177.011 177.011 176.527 0.484 25150 4846 1 8 . 1 1 30 30 VAL CA C 30 55.230 55.230 60.471 -5.241 25150 4847 1 8 . 1 1 30 30 VAL CB C 30 30.860 30.860 35.207 -4.347 25150 4848 1 8 . 1 1 31 31 GLN N N 31 125.960 125.960 122.657 3.303 25150 4849 1 8 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.073 0.357 25150 4850 1 8 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.383 0.747 25150 4851 1 8 . 1 1 31 31 GLN H H 31 7.880 7.880 8.720 -0.840 25150 4852 1 8 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.214 0.446 25150 4853 1 8 . 1 1 34 34 ILE C C 34 178.642 178.642 176.900 1.742 25150 4854 1 8 . 1 1 34 34 ILE CA C 34 54.970 54.970 61.120 -6.150 25150 4855 1 8 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.559 3.441 25150 4856 1 8 . 1 1 35 35 THR N N 35 110.980 110.980 123.271 -12.291 25150 4857 1 8 . 1 1 35 35 THR CA C 35 61.070 61.070 61.700 -0.630 25150 4858 1 8 . 1 1 35 35 THR CB C 35 69.090 69.090 67.899 1.191 25150 4859 1 8 . 1 1 35 35 THR H H 35 7.825 7.825 8.978 -1.153 25150 4860 1 8 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.973 0.651 25150 4861 1 8 . 1 1 36 36 GLN C C 36 174.178 174.178 174.903 -0.725 25150 4862 1 8 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.895 0.195 25150 4863 1 8 . 1 1 36 36 GLN CB C 36 32.290 32.290 31.340 0.950 25150 4864 1 8 . 1 1 37 37 TRP N N 37 123.942 123.942 123.803 0.139 25150 4865 1 8 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.124 0.452 25150 4866 1 8 . 1 1 37 37 TRP C C 37 174.959 174.959 175.779 -0.820 25150 4867 1 8 . 1 1 37 37 TRP CA C 37 53.630 53.630 53.958 -0.328 25150 4868 1 8 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.128 1.822 25150 4869 1 8 . 1 1 37 37 TRP H H 37 9.242 9.242 9.184 0.058 25150 4870 1 8 . 1 1 38 38 ILE N N 38 121.559 121.559 123.725 -2.166 25150 4871 1 8 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.130 0.149 25150 4872 1 8 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.775 -1.345 25150 4873 1 8 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.322 -0.082 25150 4874 1 8 . 1 1 38 38 ILE H H 38 8.778 8.778 9.434 -0.656 25150 4875 1 8 . 1 1 39 39 VAL N N 39 128.719 128.719 128.606 0.113 25150 4876 1 8 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.726 -0.145 25150 4877 1 8 . 1 1 39 39 VAL C C 39 175.175 175.175 174.806 0.369 25150 4878 1 8 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.914 0.336 25150 4879 1 8 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.531 1.319 25150 4880 1 8 . 1 1 39 39 VAL H H 39 9.533 9.533 9.286 0.247 25150 4881 1 8 . 1 1 40 40 ASP N N 40 128.451 128.451 128.416 0.035 25150 4882 1 8 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.766 -0.548 25150 4883 1 8 . 1 1 40 40 ASP C C 40 175.157 175.157 175.618 -0.461 25150 4884 1 8 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.232 2.078 25150 4885 1 8 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.413 -0.913 25150 4886 1 8 . 1 1 40 40 ASP H H 40 9.165 9.165 8.910 0.255 25150 4887 1 8 . 1 1 41 41 MET N N 41 120.544 120.544 116.883 3.661 25150 4888 1 8 . 1 1 41 41 MET HA H 41 5.467 5.467 5.489 -0.022 25150 4889 1 8 . 1 1 41 41 MET C C 41 173.590 173.590 173.826 -0.236 25150 4890 1 8 . 1 1 41 41 MET CA C 41 54.610 54.610 54.585 0.025 25150 4891 1 8 . 1 1 41 41 MET CB C 41 37.490 37.490 38.034 -0.544 25150 4892 1 8 . 1 1 41 41 MET H H 41 8.756 8.756 9.245 -0.489 25150 4893 1 8 . 1 1 42 42 GLU N N 42 125.740 125.740 121.597 4.143 25150 4894 1 8 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.288 -0.278 25150 4895 1 8 . 1 1 42 42 GLU C C 42 177.323 177.323 177.470 -0.147 25150 4896 1 8 . 1 1 42 42 GLU CA C 42 54.480 54.480 53.996 0.484 25150 4897 1 8 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.417 -1.157 25150 4898 1 8 . 1 1 42 42 GLU H H 42 8.706 8.706 8.535 0.171 25150 4899 1 8 . 1 1 43 43 GLY N N 43 111.314 111.314 112.803 -1.489 25150 4900 1 8 . 1 1 43 43 GLY C C 43 174.121 174.121 173.957 0.164 25150 4901 1 8 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.460 -0.070 25150 4902 1 8 . 1 1 43 43 GLY H H 43 8.917 8.917 8.593 0.324 25150 4903 1 8 . 1 1 44 44 ALA N N 44 128.665 128.665 127.706 0.959 25150 4904 1 8 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.279 0.781 25150 4905 1 8 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.895 -0.425 25150 4906 1 8 . 1 1 44 44 ALA H H 44 8.918 8.918 8.547 0.371 25150 4907 1 8 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.057 0.243 25150 4908 1 8 . 1 1 45 45 PRO C C 45 177.598 177.598 177.318 0.280 25150 4909 1 8 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.693 -1.283 25150 4910 1 8 . 1 1 45 45 PRO CB C 45 31.790 31.790 30.967 0.823 25150 4911 1 8 . 1 1 46 46 GLY N N 46 111.319 111.319 113.709 -2.390 25150 4912 1 8 . 1 1 46 46 GLY C C 46 174.290 174.290 174.533 -0.243 25150 4913 1 8 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.045 0.865 25150 4914 1 8 . 1 1 46 46 GLY H H 46 9.449 9.449 9.364 0.085 25150 4915 1 8 . 1 1 47 47 THR N N 47 107.981 107.981 113.772 -5.791 25150 4916 1 8 . 1 1 47 47 THR HA H 47 4.801 4.801 4.432 0.369 25150 4917 1 8 . 1 1 47 47 THR C C 47 176.158 176.158 176.326 -0.168 25150 4918 1 8 . 1 1 47 47 THR CA C 47 60.380 60.380 60.154 0.226 25150 4919 1 8 . 1 1 47 47 THR CB C 47 73.420 73.420 69.799 3.621 25150 4920 1 8 . 1 1 47 47 THR H H 47 7.426 7.426 7.430 -0.004 25150 4921 1 8 . 1 1 48 48 LEU N N 48 119.132 119.132 121.210 -2.078 25150 4922 1 8 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.215 -0.158 25150 4923 1 8 . 1 1 48 48 LEU C C 48 175.907 175.907 177.043 -1.136 25150 4924 1 8 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.994 -0.504 25150 4925 1 8 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.695 -0.075 25150 4926 1 8 . 1 1 48 48 LEU H H 48 8.966 8.966 8.584 0.382 25150 4927 1 8 . 1 1 49 49 TYR N N 49 113.649 113.649 112.624 1.025 25150 4928 1 8 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.884 -0.059 25150 4929 1 8 . 1 1 49 49 TYR C C 49 174.634 174.634 175.136 -0.502 25150 4930 1 8 . 1 1 49 49 TYR CA C 49 56.110 56.110 54.031 2.079 25150 4931 1 8 . 1 1 49 49 TYR CB C 49 38.390 38.390 37.341 1.049 25150 4932 1 8 . 1 1 49 49 TYR H H 49 7.205 7.205 6.871 0.334 25150 4933 1 8 . 1 1 50 50 GLU N N 50 122.006 122.006 123.473 -1.467 25150 4934 1 8 . 1 1 50 50 GLU HA H 50 3.477 3.477 3.904 -0.427 25150 4935 1 8 . 1 1 50 50 GLU C C 50 177.182 177.182 177.481 -0.299 25150 4936 1 8 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.312 -0.212 25150 4937 1 8 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.162 0.878 25150 4938 1 8 . 1 1 50 50 GLU H H 50 6.934 6.934 7.512 -0.578 25150 4939 1 8 . 1 1 51 51 GLY N N 51 115.165 115.165 115.654 -0.489 25150 4940 1 8 . 1 1 51 51 GLY C C 51 173.997 173.997 174.031 -0.034 25150 4941 1 8 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.824 0.676 25150 4942 1 8 . 1 1 51 51 GLY H H 51 8.752 8.752 8.663 0.089 25150 4943 1 8 . 1 1 52 52 GLU N N 52 120.251 120.251 121.997 -1.746 25150 4944 1 8 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.193 -0.223 25150 4945 1 8 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.123 0.317 25150 4946 1 8 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.718 1.982 25150 4947 1 8 . 1 1 52 52 GLU H H 52 7.900 7.900 8.091 -0.191 25150 4948 1 8 . 1 1 53 53 LYS N N 53 120.435 120.435 125.773 -5.338 25150 4949 1 8 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.947 -0.261 25150 4950 1 8 . 1 1 53 53 LYS C C 53 175.285 175.285 175.785 -0.500 25150 4951 1 8 . 1 1 53 53 LYS CA C 53 55.380 55.380 56.218 -0.838 25150 4952 1 8 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.281 0.780 25150 4953 1 8 . 1 1 53 53 LYS H H 53 8.046 8.046 8.312 -0.266 25150 4954 1 8 . 1 1 54 54 PHE N N 54 122.724 122.724 124.964 -2.240 25150 4955 1 8 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.849 0.671 25150 4956 1 8 . 1 1 54 54 PHE C C 54 175.151 175.151 174.411 0.740 25150 4957 1 8 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.897 -2.207 25150 4958 1 8 . 1 1 54 54 PHE CB C 54 43.600 43.600 43.502 0.098 25150 4959 1 8 . 1 1 54 54 PHE H H 54 9.082 9.082 9.099 -0.017 25150 4960 1 8 . 1 1 55 55 GLN N N 55 121.971 121.971 121.648 0.323 25150 4961 1 8 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.484 -0.133 25150 4962 1 8 . 1 1 55 55 GLN C C 55 173.802 173.802 174.258 -0.456 25150 4963 1 8 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.936 1.264 25150 4964 1 8 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.573 1.747 25150 4965 1 8 . 1 1 55 55 GLN H H 55 10.001 10.001 9.051 0.950 25150 4966 1 8 . 1 1 56 56 LEU N N 56 124.898 124.898 126.675 -1.777 25150 4967 1 8 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.058 -0.366 25150 4968 1 8 . 1 1 56 56 LEU C C 56 174.265 174.265 174.990 -0.725 25150 4969 1 8 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.504 -0.084 25150 4970 1 8 . 1 1 56 56 LEU CB C 56 46.690 46.690 44.886 1.804 25150 4971 1 8 . 1 1 56 56 LEU H H 56 9.573 9.573 9.220 0.353 25150 4972 1 8 . 1 1 57 57 LEU N N 57 124.234 124.234 123.949 0.285 25150 4973 1 8 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.342 -0.172 25150 4974 1 8 . 1 1 57 57 LEU C C 57 174.551 174.551 174.636 -0.085 25150 4975 1 8 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.143 0.527 25150 4976 1 8 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.137 0.383 25150 4977 1 8 . 1 1 57 57 LEU H H 57 8.890 8.890 8.808 0.082 25150 4978 1 8 . 1 1 58 58 PHE N N 58 124.003 124.003 127.944 -3.941 25150 4979 1 8 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.927 -0.177 25150 4980 1 8 . 1 1 58 58 PHE C C 58 174.407 174.407 174.913 -0.506 25150 4981 1 8 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.006 -0.006 25150 4982 1 8 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.442 2.498 25150 4983 1 8 . 1 1 58 58 PHE H H 58 9.134 9.134 9.386 -0.252 25150 4984 1 8 . 1 1 59 59 LYS N N 59 120.089 120.089 122.796 -2.707 25150 4985 1 8 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.120 -0.237 25150 4986 1 8 . 1 1 59 59 LYS C C 59 175.192 175.192 175.350 -0.158 25150 4987 1 8 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.678 0.142 25150 4988 1 8 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.726 0.804 25150 4989 1 8 . 1 1 59 59 LYS H H 59 8.732 8.732 8.447 0.285 25150 4990 1 8 . 1 1 60 60 PHE N N 60 123.988 123.988 121.027 2.961 25150 4991 1 8 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.663 -0.359 25150 4992 1 8 . 1 1 60 60 PHE C C 60 174.636 174.636 175.189 -0.553 25150 4993 1 8 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.582 0.668 25150 4994 1 8 . 1 1 60 60 PHE CB C 60 41.160 41.160 42.432 -1.272 25150 4995 1 8 . 1 1 60 60 PHE H H 60 8.649 8.649 8.384 0.265 25150 4996 1 8 . 1 1 61 61 SER N N 61 117.599 117.599 117.099 0.500 25150 4997 1 8 . 1 1 61 61 SER C C 61 174.771 174.771 175.070 -0.299 25150 4998 1 8 . 1 1 61 61 SER CA C 61 57.130 57.130 56.744 0.386 25150 4999 1 8 . 1 1 61 61 SER CB C 61 66.030 66.030 65.808 0.222 25150 5000 1 8 . 1 1 61 61 SER H H 61 8.066 8.066 8.667 -0.601 25150 5001 1 8 . 1 1 62 62 SER N N 62 119.994 119.994 113.819 6.175 25150 5002 1 8 . 1 1 62 62 SER CA C 62 61.650 61.650 60.005 1.645 25150 5003 1 8 . 1 1 62 62 SER H H 62 8.265 8.265 8.831 -0.566 25150 5004 1 8 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.520 -0.070 25150 5005 1 8 . 1 1 63 63 ARG C C 63 175.086 175.086 176.333 -1.247 25150 5006 1 8 . 1 1 63 63 ARG CA C 63 57.670 57.670 56.163 1.507 25150 5007 1 8 . 1 1 63 63 ARG CB C 63 30.050 30.050 31.765 -1.715 25150 5008 1 8 . 1 1 64 64 TYR N N 64 120.957 120.957 124.353 -3.396 25150 5009 1 8 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.424 1.256 25150 5010 1 8 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.402 -0.682 25150 5011 1 8 . 1 1 64 64 TYR H H 64 7.471 7.471 8.011 -0.540 25150 5012 1 8 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.194 0.476 25150 5013 1 8 . 1 1 65 65 PRO C C 65 174.345 174.345 177.246 -2.901 25150 5014 1 8 . 1 1 65 65 PRO CA C 65 63.460 63.460 64.069 -0.609 25150 5015 1 8 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.864 1.506 25150 5016 1 8 . 1 1 66 66 PHE N N 66 126.070 126.070 120.551 5.519 25150 5017 1 8 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.241 0.002 25150 5018 1 8 . 1 1 66 66 PHE C C 66 175.867 175.867 175.212 0.655 25150 5019 1 8 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.180 -0.100 25150 5020 1 8 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.334 -1.324 25150 5021 1 8 . 1 1 66 66 PHE H H 66 8.630 8.630 8.327 0.303 25150 5022 1 8 . 1 1 67 67 ASP N N 67 118.021 118.021 118.297 -0.276 25150 5023 1 8 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.627 -0.668 25150 5024 1 8 . 1 1 67 67 ASP CA C 67 5.630 5.630 54.191 -48.561 25150 5025 1 8 . 1 1 67 67 ASP CB C 67 34.840 34.840 41.747 -6.907 25150 5026 1 8 . 1 1 67 67 ASP H H 67 7.126 7.126 8.491 -1.365 25150 5027 1 8 . 1 1 68 68 SER N N 68 120.730 120.730 115.840 4.890 25150 5028 1 8 . 1 1 68 68 SER CA C 68 55.750 55.750 55.120 0.630 25150 5029 1 8 . 1 1 68 68 SER CB C 68 61.900 61.900 62.693 -0.793 25150 5030 1 8 . 1 1 68 68 SER H H 68 8.091 8.091 7.929 0.162 25150 5031 1 8 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.310 0.046 25150 5032 1 8 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.125 -0.045 25150 5033 1 8 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.624 0.086 25150 5034 1 8 . 1 1 70 70 GLN N N 70 119.493 119.493 121.461 -1.968 25150 5035 1 8 . 1 1 70 70 GLN CA C 70 55.070 55.070 54.926 0.144 25150 5036 1 8 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.922 1.568 25150 5037 1 8 . 1 1 70 70 GLN H H 70 8.049 8.049 7.987 0.062 25150 5038 1 8 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.661 -0.261 25150 5039 1 8 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.266 -0.456 25150 5040 1 8 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.192 -0.352 25150 5041 1 8 . 1 1 72 72 MET N N 72 120.767 120.767 121.861 -1.094 25150 5042 1 8 . 1 1 72 72 MET HA H 72 4.731 4.731 4.827 -0.096 25150 5043 1 8 . 1 1 72 72 MET C C 72 174.779 174.779 174.819 -0.040 25150 5044 1 8 . 1 1 72 72 MET CA C 72 54.390 54.390 53.721 0.669 25150 5045 1 8 . 1 1 72 72 MET CB C 72 36.140 36.140 37.663 -1.523 25150 5046 1 8 . 1 1 72 72 MET H H 72 8.245 8.245 8.270 -0.025 25150 5047 1 8 . 1 1 73 73 PHE N N 73 120.458 120.458 120.922 -0.464 25150 5048 1 8 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.468 -0.254 25150 5049 1 8 . 1 1 73 73 PHE C C 73 175.404 175.404 176.767 -1.363 25150 5050 1 8 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.282 1.298 25150 5051 1 8 . 1 1 73 73 PHE CB C 73 40.620 40.620 39.911 0.709 25150 5052 1 8 . 1 1 73 73 PHE H H 73 9.193 9.193 8.773 0.420 25150 5053 1 8 . 1 1 74 74 THR N N 74 113.842 113.842 114.905 -1.063 25150 5054 1 8 . 1 1 74 74 THR HA H 74 4.777 4.777 4.768 0.009 25150 5055 1 8 . 1 1 74 74 THR C C 74 173.551 173.551 174.049 -0.498 25150 5056 1 8 . 1 1 74 74 THR CA C 74 59.580 59.580 59.938 -0.358 25150 5057 1 8 . 1 1 74 74 THR CB C 74 71.300 71.300 71.788 -0.488 25150 5058 1 8 . 1 1 74 74 THR H H 74 8.894 8.894 9.063 -0.169 25150 5059 1 8 . 1 1 75 75 GLY N N 75 109.259 109.259 107.944 1.315 25150 5060 1 8 . 1 1 75 75 GLY C C 75 173.980 173.980 173.871 0.109 25150 5061 1 8 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.539 0.171 25150 5062 1 8 . 1 1 75 75 GLY H H 75 8.058 8.058 7.972 0.086 25150 5063 1 8 . 1 1 76 76 GLU N N 76 116.661 116.661 120.088 -3.427 25150 5064 1 8 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.396 -0.255 25150 5065 1 8 . 1 1 76 76 GLU C C 76 176.624 176.624 175.468 1.156 25150 5066 1 8 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.322 1.718 25150 5067 1 8 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.083 0.827 25150 5068 1 8 . 1 1 76 76 GLU H H 76 8.356 8.356 8.411 -0.055 25150 5069 1 8 . 1 1 77 77 ASN N N 77 118.469 118.469 118.104 0.365 25150 5070 1 8 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.767 0.343 25150 5071 1 8 . 1 1 77 77 ASN C C 77 176.525 176.525 173.758 2.767 25150 5072 1 8 . 1 1 77 77 ASN CA C 77 52.240 52.240 53.065 -0.824 25150 5073 1 8 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.177 0.533 25150 5074 1 8 . 1 1 77 77 ASN H H 77 8.614 8.614 8.042 0.572 25150 5075 1 8 . 1 1 78 78 ILE N N 78 117.605 117.605 124.592 -6.987 25150 5076 1 8 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.920 2.470 25150 5077 1 8 . 1 1 78 78 ILE CB C 78 41.640 41.640 36.920 4.720 25150 5078 1 8 . 1 1 78 78 ILE H H 78 7.736 7.736 8.204 -0.468 25150 5079 1 8 . 1 1 79 79 PRO C C 79 176.134 176.134 175.467 0.667 25150 5080 1 8 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.151 0.679 25150 5081 1 8 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.478 -1.318 25150 5082 1 8 . 1 1 80 80 VAL N N 80 123.378 123.378 119.833 3.545 25150 5083 1 8 . 1 1 80 80 VAL CA C 80 62.830 62.830 61.208 1.622 25150 5084 1 8 . 1 1 80 80 VAL CB C 80 29.920 29.920 33.827 -3.907 25150 5085 1 8 . 1 1 80 80 VAL H H 80 8.297 8.297 8.129 0.168 25150 5086 1 8 . 1 1 82 82 PRO C C 82 176.169 176.169 176.446 -0.277 25150 5087 1 8 . 1 1 82 82 PRO CA C 82 64.710 64.710 65.168 -0.458 25150 5088 1 8 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.829 -0.159 25150 5089 1 8 . 1 1 83 83 HIS N N 83 121.199 121.199 112.603 8.596 25150 5090 1 8 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.768 0.073 25150 5091 1 8 . 1 1 83 83 HIS C C 83 173.457 173.457 173.727 -0.270 25150 5092 1 8 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.218 -0.538 25150 5093 1 8 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.800 0.430 25150 5094 1 8 . 1 1 83 83 HIS H H 83 10.996 10.996 8.440 2.556 25150 5095 1 8 . 1 1 84 84 VAL N N 84 121.050 121.050 121.100 -0.050 25150 5096 1 8 . 1 1 84 84 VAL HA H 84 4.777 4.777 5.052 -0.275 25150 5097 1 8 . 1 1 84 84 VAL C C 84 175.155 175.155 174.678 0.477 25150 5098 1 8 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.916 0.184 25150 5099 1 8 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.540 -0.430 25150 5100 1 8 . 1 1 84 84 VAL H H 84 8.058 8.058 7.608 0.450 25150 5101 1 8 . 1 1 85 85 TYR N N 85 126.195 126.195 125.964 0.231 25150 5102 1 8 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.878 -0.193 25150 5103 1 8 . 1 1 85 85 TYR C C 85 179.268 179.268 177.302 1.966 25150 5104 1 8 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.188 2.202 25150 5105 1 8 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.553 0.717 25150 5106 1 8 . 1 1 85 85 TYR H H 85 9.136 9.136 9.234 -0.098 25150 5107 1 8 . 1 1 86 86 SER N N 86 115.546 115.546 117.078 -1.532 25150 5108 1 8 . 1 1 86 86 SER HA H 86 3.935 3.935 4.173 -0.238 25150 5109 1 8 . 1 1 86 86 SER C C 86 174.309 174.309 174.434 -0.125 25150 5110 1 8 . 1 1 86 86 SER CA C 86 61.890 61.890 60.498 1.392 25150 5111 1 8 . 1 1 86 86 SER CB C 86 62.230 62.230 63.277 -1.047 25150 5112 1 8 . 1 1 86 86 SER H H 86 10.052 10.052 8.821 1.231 25150 5113 1 8 . 1 1 87 87 ASN N N 87 116.470 116.470 115.543 0.927 25150 5114 1 8 . 1 1 87 87 ASN C C 87 175.624 175.624 175.794 -0.170 25150 5115 1 8 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.435 -0.096 25150 5116 1 8 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.830 -0.340 25150 5117 1 8 . 1 1 87 87 ASN H H 87 7.331 7.331 8.061 -0.730 25150 5118 1 8 . 1 1 88 88 GLY N N 88 108.412 108.412 107.721 0.691 25150 5119 1 8 . 1 1 88 88 GLY C C 88 174.247 174.247 174.039 0.208 25150 5120 1 8 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.213 0.697 25150 5121 1 8 . 1 1 88 88 GLY H H 88 8.737 8.737 8.348 0.389 25150 5122 1 8 . 1 1 89 89 HIS N N 89 119.508 119.508 122.496 -2.988 25150 5123 1 8 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.599 -1.299 25150 5124 1 8 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.608 1.252 25150 5125 1 8 . 1 1 89 89 HIS H H 89 7.494 7.494 8.766 -1.272 25150 5126 1 8 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.614 -0.200 25150 5127 1 8 . 1 1 90 90 ILE C C 90 174.510 174.510 175.890 -1.380 25150 5128 1 8 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.177 -1.857 25150 5129 1 8 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.073 0.207 25150 5130 1 8 . 1 1 91 91 CYS N N 91 123.587 123.587 129.228 -5.641 25150 5131 1 8 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.306 5.274 25150 5132 1 8 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.648 7.742 25150 5133 1 8 . 1 1 91 91 CYS H H 91 7.304 7.304 8.968 -1.664 25150 5134 1 8 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.638 0.032 25150 5135 1 8 . 1 1 92 92 LEU C C 92 175.822 175.822 176.811 -0.989 25150 5136 1 8 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.627 5.832 25150 5137 1 8 . 1 1 92 92 LEU CB C 92 41.420 41.420 44.587 -3.167 25150 5138 1 8 . 1 1 93 93 SER N N 93 111.707 111.707 124.317 -12.610 25150 5139 1 8 . 1 1 93 93 SER HA H 93 4.331 4.331 4.297 0.034 25150 5140 1 8 . 1 1 93 93 SER C C 93 177.433 177.433 176.129 1.304 25150 5141 1 8 . 1 1 93 93 SER CA C 93 62.150 62.150 60.816 1.334 25150 5142 1 8 . 1 1 93 93 SER H H 93 9.037 9.037 8.876 0.161 25150 5143 1 8 . 1 1 94 94 ILE N N 94 118.993 118.993 115.872 3.121 25150 5144 1 8 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.124 169.414 25150 5145 1 8 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.124 1.185 25150 5146 1 8 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.300 0.600 25150 5147 1 8 . 1 1 94 94 ILE H H 94 7.859 7.859 8.047 -0.188 25150 5148 1 8 . 1 1 95 95 LEU N N 95 113.763 113.763 119.508 -5.745 25150 5149 1 8 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.449 0.203 25150 5150 1 8 . 1 1 95 95 LEU C C 95 178.458 178.458 177.341 1.117 25150 5151 1 8 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.495 -0.165 25150 5152 1 8 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.651 0.429 25150 5153 1 8 . 1 1 95 95 LEU H H 95 7.351 7.351 8.097 -0.746 25150 5154 1 8 . 1 1 96 96 THR N N 96 109.929 109.929 112.837 -2.908 25150 5155 1 8 . 1 1 96 96 THR HA H 96 4.338 4.338 4.526 -0.188 25150 5156 1 8 . 1 1 96 96 THR C C 96 175.947 175.947 176.149 -0.202 25150 5157 1 8 . 1 1 96 96 THR CA C 96 60.960 60.960 63.259 -2.299 25150 5158 1 8 . 1 1 96 96 THR CB C 96 69.280 69.280 69.566 -0.286 25150 5159 1 8 . 1 1 96 96 THR H H 96 7.794 7.794 8.072 -0.278 25150 5160 1 8 . 1 1 97 97 GLU N N 97 123.314 123.314 120.303 3.011 25150 5161 1 8 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.403 -0.086 25150 5162 1 8 . 1 1 97 97 GLU C C 97 176.907 176.907 177.398 -0.491 25150 5163 1 8 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.319 0.361 25150 5164 1 8 . 1 1 97 97 GLU CB C 97 30.790 30.790 30.691 0.099 25150 5165 1 8 . 1 1 97 97 GLU H H 97 8.913 8.913 8.150 0.763 25150 5166 1 8 . 1 1 98 98 ASP N N 98 116.420 116.420 118.252 -1.832 25150 5167 1 8 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.983 0.207 25150 5168 1 8 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.015 0.485 25150 5169 1 8 . 1 1 98 98 ASP H H 98 8.124 8.124 8.114 0.010 25150 5170 1 8 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.604 -0.184 25150 5171 1 8 . 1 1 99 99 TRP C C 99 176.495 176.495 175.803 0.692 25150 5172 1 8 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.400 1.030 25150 5173 1 8 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.133 -0.552 25150 5174 1 8 . 1 1 100 100 SER N N 100 120.993 120.993 120.480 0.513 25150 5175 1 8 . 1 1 100 100 SER CA C 100 55.370 55.370 53.899 1.471 25150 5176 1 8 . 1 1 100 100 SER CB C 100 64.860 64.860 64.838 0.021 25150 5177 1 8 . 1 1 100 100 SER H H 100 5.703 5.703 6.889 -1.186 25150 5178 1 8 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.479 -0.286 25150 5179 1 8 . 1 1 101 101 PRO C C 101 175.227 175.227 176.420 -1.193 25150 5180 1 8 . 1 1 101 101 PRO CA C 101 63.700 63.700 63.880 -0.180 25150 5181 1 8 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.754 -0.334 25150 5182 1 8 . 1 1 102 102 ALA N N 102 118.668 118.668 120.242 -1.574 25150 5183 1 8 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.185 -0.091 25150 5184 1 8 . 1 1 102 102 ALA C C 102 178.797 178.797 177.911 0.886 25150 5185 1 8 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.317 0.513 25150 5186 1 8 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.089 -0.079 25150 5187 1 8 . 1 1 102 102 ALA H H 102 7.290 7.290 7.192 0.097 25150 5188 1 8 . 1 1 103 103 LEU N N 103 119.365 119.365 119.552 -0.187 25150 5189 1 8 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.380 -0.171 25150 5190 1 8 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.703 -0.993 25150 5191 1 8 . 1 1 103 103 LEU H H 103 7.263 7.263 7.095 0.168 25150 5192 1 8 . 1 1 104 104 SER HA H 104 4.381 4.381 5.093 -0.712 25150 5193 1 8 . 1 1 104 104 SER C C 104 175.278 175.278 175.907 -0.629 25150 5194 1 8 . 1 1 104 104 SER CA C 104 56.500 56.500 56.159 0.341 25150 5195 1 8 . 1 1 104 104 SER CB C 104 66.770 66.770 66.158 0.612 25150 5196 1 8 . 1 1 105 105 VAL N N 105 123.025 123.025 122.644 0.381 25150 5197 1 8 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.763 -0.151 25150 5198 1 8 . 1 1 105 105 VAL C C 105 179.053 179.053 177.522 1.531 25150 5199 1 8 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.675 1.395 25150 5200 1 8 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.555 0.065 25150 5201 1 8 . 1 1 105 105 VAL H H 105 9.841 9.841 8.362 1.479 25150 5202 1 8 . 1 1 106 106 GLN N N 106 121.218 121.218 119.342 1.876 25150 5203 1 8 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.932 -0.077 25150 5204 1 8 . 1 1 106 106 GLN C C 106 177.698 177.698 178.203 -0.505 25150 5205 1 8 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.671 1.459 25150 5206 1 8 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.222 0.008 25150 5207 1 8 . 1 1 106 106 GLN H H 106 9.109 9.109 8.557 0.552 25150 5208 1 8 . 1 1 107 107 SER N N 107 115.531 115.531 116.142 -0.611 25150 5209 1 8 . 1 1 107 107 SER C C 107 177.828 177.828 177.067 0.761 25150 5210 1 8 . 1 1 107 107 SER CA C 107 62.500 62.500 62.183 0.317 25150 5211 1 8 . 1 1 107 107 SER CB C 107 62.670 62.670 62.885 -0.215 25150 5212 1 8 . 1 1 107 107 SER H H 107 8.209 8.209 8.128 0.081 25150 5213 1 8 . 1 1 108 108 VAL N N 108 123.756 123.756 122.341 1.415 25150 5214 1 8 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.821 -0.160 25150 5215 1 8 . 1 1 108 108 VAL C C 108 178.087 178.087 177.993 0.094 25150 5216 1 8 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.702 0.268 25150 5217 1 8 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.868 -0.158 25150 5218 1 8 . 1 1 108 108 VAL H H 108 8.256 8.256 8.050 0.206 25150 5219 1 8 . 1 1 109 109 CYS N N 109 118.175 118.175 118.558 -0.383 25150 5220 1 8 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.216 -0.281 25150 5221 1 8 . 1 1 109 109 CYS C C 109 176.918 176.918 176.903 0.015 25150 5222 1 8 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.818 1.072 25150 5223 1 8 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.978 0.822 25150 5224 1 8 . 1 1 109 109 CYS H H 109 8.781 8.781 8.499 0.282 25150 5225 1 8 . 1 1 110 110 LEU N N 110 118.491 118.491 121.674 -3.183 25150 5226 1 8 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.130 -0.020 25150 5227 1 8 . 1 1 110 110 LEU C C 110 180.150 180.150 178.417 1.733 25150 5228 1 8 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.910 0.570 25150 5229 1 8 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.735 -0.725 25150 5230 1 8 . 1 1 110 110 LEU H H 110 8.543 8.543 8.467 0.076 25150 5231 1 8 . 1 1 111 111 SER N N 111 117.917 117.917 116.338 1.579 25150 5232 1 8 . 1 1 111 111 SER C C 111 177.009 177.009 176.976 0.033 25150 5233 1 8 . 1 1 111 111 SER CA C 111 63.050 63.050 62.821 0.229 25150 5234 1 8 . 1 1 111 111 SER CB C 111 62.980 62.980 62.770 0.209 25150 5235 1 8 . 1 1 111 111 SER H H 111 8.181 8.181 8.132 0.049 25150 5236 1 8 . 1 1 112 112 ILE N N 112 124.764 124.764 122.880 1.884 25150 5237 1 8 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.614 0.059 25150 5238 1 8 . 1 1 112 112 ILE C C 112 177.441 177.441 177.662 -0.221 25150 5239 1 8 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.702 -0.272 25150 5240 1 8 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.725 0.225 25150 5241 1 8 . 1 1 112 112 ILE H H 112 8.249 8.249 8.323 -0.074 25150 5242 1 8 . 1 1 113 113 ILE N N 113 121.123 121.123 120.667 0.456 25150 5243 1 8 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.408 0.188 25150 5244 1 8 . 1 1 113 113 ILE C C 113 179.525 179.525 178.117 1.408 25150 5245 1 8 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.940 0.320 25150 5246 1 8 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.586 1.194 25150 5247 1 8 . 1 1 113 113 ILE H H 113 8.415 8.415 7.870 0.545 25150 5248 1 8 . 1 1 114 114 SER N N 114 115.247 115.247 115.605 -0.358 25150 5249 1 8 . 1 1 114 114 SER HA H 114 4.300 4.300 4.208 0.092 25150 5250 1 8 . 1 1 114 114 SER C C 114 176.915 176.915 176.779 0.136 25150 5251 1 8 . 1 1 114 114 SER CA C 114 61.510 61.510 62.052 -0.542 25150 5252 1 8 . 1 1 114 114 SER CB C 114 62.990 62.990 63.071 -0.081 25150 5253 1 8 . 1 1 114 114 SER H H 114 8.241 8.241 8.387 -0.146 25150 5254 1 8 . 1 1 115 115 MET N N 115 122.921 122.921 122.878 0.043 25150 5255 1 8 . 1 1 115 115 MET C C 115 179.552 179.552 177.360 2.192 25150 5256 1 8 . 1 1 115 115 MET CA C 115 59.030 59.030 58.822 0.208 25150 5257 1 8 . 1 1 115 115 MET CB C 115 33.040 33.040 32.553 0.487 25150 5258 1 8 . 1 1 115 115 MET H H 115 8.216 8.216 7.936 0.280 25150 5259 1 8 . 1 1 116 116 LEU N N 116 120.553 120.553 115.989 4.564 25150 5260 1 8 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.810 0.267 25150 5261 1 8 . 1 1 116 116 LEU C C 116 179.264 179.264 179.682 -0.418 25150 5262 1 8 . 1 1 116 116 LEU CA C 116 58.770 58.770 56.852 1.918 25150 5263 1 8 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.773 -1.143 25150 5264 1 8 . 1 1 116 116 LEU H H 116 7.981 7.981 8.186 -0.205 25150 5265 1 8 . 1 1 117 117 SER N N 117 114.100 114.100 114.536 -0.436 25150 5266 1 8 . 1 1 117 117 SER HA H 117 4.342 4.342 4.523 -0.181 25150 5267 1 8 . 1 1 117 117 SER C C 117 175.042 175.042 176.069 -1.027 25150 5268 1 8 . 1 1 117 117 SER CA C 117 61.700 61.700 60.856 0.844 25150 5269 1 8 . 1 1 117 117 SER CB C 117 63.120 63.120 63.698 -0.578 25150 5270 1 8 . 1 1 117 117 SER H H 117 8.467 8.467 8.314 0.153 25150 5271 1 8 . 1 1 118 118 SER N N 118 113.628 113.628 116.146 -2.518 25150 5272 1 8 . 1 1 118 118 SER HA H 118 4.485 4.485 4.662 -0.177 25150 5273 1 8 . 1 1 118 118 SER C C 118 174.142 174.142 174.782 -0.640 25150 5274 1 8 . 1 1 118 118 SER CA C 118 59.000 59.000 57.303 1.698 25150 5275 1 8 . 1 1 118 118 SER CB C 118 64.040 64.040 63.552 0.488 25150 5276 1 8 . 1 1 118 118 SER H H 118 8.037 8.037 7.901 0.136 25150 5277 1 8 . 1 1 119 119 CYS N N 119 122.293 122.293 121.327 0.966 25150 5278 1 8 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.256 -1.066 25150 5279 1 8 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.648 -0.378 25150 5280 1 8 . 1 1 119 119 CYS H H 119 7.250 7.250 7.735 -0.485 25150 5281 1 8 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.633 -0.093 25150 5282 1 8 . 1 1 120 120 LYS C C 120 176.345 176.345 175.104 1.241 25150 5283 1 8 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.459 9.591 25150 5284 1 8 . 1 1 120 120 LYS CB C 120 33.550 33.550 35.676 -2.126 25150 5285 1 8 . 1 1 121 121 GLU N N 121 120.936 120.936 124.912 -3.976 25150 5286 1 8 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.162 0.067 25150 5287 1 8 . 1 1 121 121 GLU C C 121 174.053 174.053 176.309 -2.256 25150 5288 1 8 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.820 -0.630 25150 5289 1 8 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.473 2.217 25150 5290 1 8 . 1 1 121 121 GLU H H 121 7.700 7.700 8.503 -0.803 25150 5291 1 8 . 1 1 122 122 LYS N N 122 127.472 127.472 122.588 4.884 25150 5292 1 8 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.399 -0.537 25150 5293 1 8 . 1 1 122 122 LYS C C 122 174.440 174.440 175.936 -1.496 25150 5294 1 8 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.685 1.595 25150 5295 1 8 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.250 -0.840 25150 5296 1 8 . 1 1 122 122 LYS H H 122 8.890 8.890 8.476 0.414 25150 5297 1 8 . 1 1 123 123 ARG N N 123 123.268 123.268 121.623 1.645 25150 5298 1 8 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.514 -0.244 25150 5299 1 8 . 1 1 123 123 ARG C C 123 172.653 172.653 175.438 -2.785 25150 5300 1 8 . 1 1 123 123 ARG CA C 123 54.580 54.580 54.836 -0.255 25150 5301 1 8 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.770 0.460 25150 5302 1 8 . 1 1 123 123 ARG H H 123 6.841 6.841 8.474 -1.633 25150 5303 1 8 . 1 1 124 124 ARG N N 124 116.787 116.787 122.210 -5.423 25150 5304 1 8 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.638 0.072 25150 5305 1 8 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.653 -0.573 25150 5306 1 8 . 1 1 124 124 ARG H H 124 8.044 8.044 8.424 -0.380 25150 5307 1 8 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.218 0.583 25150 5308 1 8 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.276 -0.496 25150 5309 1 8 . 1 1 127 127 ASP N N 127 115.165 115.165 120.205 -5.040 25150 5310 1 8 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.815 0.309 25150 5311 1 8 . 1 1 127 127 ASP C C 127 172.871 172.871 175.551 -2.680 25150 5312 1 8 . 1 1 127 127 ASP CA C 127 52.670 52.670 52.711 -0.041 25150 5313 1 8 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.621 -1.481 25150 5314 1 8 . 1 1 127 127 ASP H H 127 8.711 8.711 8.354 0.357 25150 5315 1 8 . 1 1 128 128 ASN N N 128 127.858 127.858 123.580 4.278 25150 5316 1 8 . 1 1 128 128 ASN CA C 128 56.480 56.480 54.113 2.367 25150 5317 1 8 . 1 1 128 128 ASN CB C 128 38.560 38.560 39.514 -0.953 25150 5318 1 8 . 1 1 128 128 ASN H H 128 8.502 8.502 8.964 -0.462 25150 5319 1 8 . 1 1 129 129 SER C C 129 176.346 176.346 176.212 0.134 25150 5320 1 8 . 1 1 129 129 SER CA C 129 62.330 62.330 61.755 0.575 25150 5321 1 8 . 1 1 130 130 PHE N N 130 121.897 121.897 124.769 -2.872 25150 5322 1 8 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.274 -0.154 25150 5323 1 8 . 1 1 130 130 PHE C C 130 177.740 177.740 176.722 1.018 25150 5324 1 8 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.663 -0.703 25150 5325 1 8 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.208 0.552 25150 5326 1 8 . 1 1 130 130 PHE H H 130 8.022 8.022 8.603 -0.581 25150 5327 1 8 . 1 1 131 131 TYR N N 131 122.173 122.173 120.815 1.358 25150 5328 1 8 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.019 -0.273 25150 5329 1 8 . 1 1 131 131 TYR C C 131 178.140 178.140 177.750 0.390 25150 5330 1 8 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.765 0.525 25150 5331 1 8 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.337 1.203 25150 5332 1 8 . 1 1 131 131 TYR H H 131 8.871 8.871 8.162 0.709 25150 5333 1 8 . 1 1 132 132 VAL N N 132 116.993 116.993 118.585 -1.592 25150 5334 1 8 . 1 1 132 132 VAL C C 132 178.082 178.082 177.620 0.462 25150 5335 1 8 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.596 -0.266 25150 5336 1 8 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.491 -0.041 25150 5337 1 8 . 1 1 132 132 VAL H H 132 8.551 8.551 8.020 0.531 25150 5338 1 8 . 1 1 133 133 ARG N N 133 118.860 118.860 120.013 -1.153 25150 5339 1 8 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.678 -0.699 25150 5340 1 8 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.166 0.084 25150 5341 1 8 . 1 1 133 133 ARG H H 133 7.545 7.545 8.110 -0.565 25150 5342 1 8 . 1 1 134 134 THR CA C 134 62.280 62.280 64.571 -2.291 25150 5343 1 8 . 1 1 134 134 THR CB C 134 69.790 69.790 68.855 0.935 25150 5344 1 8 . 1 1 135 135 CYS N N 135 125.959 125.959 120.098 5.861 25150 5345 1 8 . 1 1 135 135 CYS CA C 135 59.760 59.760 61.854 -2.094 25150 5346 1 8 . 1 1 135 135 CYS CB C 135 39.010 39.010 26.122 12.888 25150 5347 1 8 . 1 1 135 135 CYS H H 135 7.881 7.881 7.990 -0.109 25150 5348 1 8 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.565 -0.555 25150 5349 1 8 . 1 1 136 136 ASN C C 136 177.768 177.768 175.727 2.041 25150 5350 1 8 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.948 -0.788 25150 5351 1 8 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.133 0.337 25150 5352 1 8 . 1 1 137 137 LYS N N 137 119.224 119.224 117.348 1.876 25150 5353 1 8 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.333 -0.137 25150 5354 1 8 . 1 1 137 137 LYS C C 137 176.185 176.185 176.618 -0.433 25150 5355 1 8 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.171 0.809 25150 5356 1 8 . 1 1 137 137 LYS CB C 137 32.870 32.870 33.465 -0.595 25150 5357 1 8 . 1 1 137 137 LYS H H 137 7.678 7.678 7.712 -0.034 25150 5358 1 8 . 1 1 138 138 ASN N N 138 117.174 117.174 120.475 -3.301 25150 5359 1 8 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.523 0.007 25150 5360 1 8 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.128 0.812 25150 5361 1 8 . 1 1 138 138 ASN H H 138 7.969 7.969 7.805 0.164 25150 5362 1 8 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.483 -0.085 25150 5363 1 8 . 1 1 139 139 PRO C C 139 177.335 177.335 176.606 0.729 25150 5364 1 8 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.709 1.141 25150 5365 1 8 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.405 -0.295 25150 5366 1 8 . 1 1 140 140 LYS N N 140 118.218 118.218 120.054 -1.836 25150 5367 1 8 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.331 28.319 25150 5368 1 8 . 1 1 140 140 LYS C C 140 176.564 176.564 177.268 -0.704 25150 5369 1 8 . 1 1 140 140 LYS CA C 140 56.990 56.990 55.933 1.057 25150 5370 1 8 . 1 1 140 140 LYS H H 140 8.108 8.108 8.431 -0.323 25150 5371 1 8 . 1 1 141 141 LYS N N 141 119.276 119.276 118.121 1.155 25150 5372 1 8 . 1 1 141 141 LYS C C 141 177.924 177.924 176.669 1.255 25150 5373 1 8 . 1 1 141 141 LYS CA C 141 56.100 56.100 58.068 -1.968 25150 5374 1 8 . 1 1 141 141 LYS CB C 141 29.780 29.780 31.825 -2.045 25150 5375 1 8 . 1 1 141 141 LYS H H 141 8.135 8.135 7.789 0.346 25150 5376 1 8 . 1 1 142 142 THR N N 142 115.380 115.380 106.829 8.551 25150 5377 1 8 . 1 1 142 142 THR CA C 142 61.850 61.850 63.103 -1.253 25150 5378 1 8 . 1 1 142 142 THR CB C 142 69.660 69.660 68.778 0.882 25150 5379 1 8 . 1 1 142 142 THR H H 142 8.030 8.030 7.694 0.336 25150 5380 1 8 . 1 1 143 143 LYS C C 143 178.955 178.955 176.010 2.945 25150 5381 1 8 . 1 1 144 144 TRP N N 144 120.470 120.470 120.710 -0.240 25150 5382 1 8 . 1 1 144 144 TRP C C 144 176.557 176.557 173.645 2.912 25150 5383 1 8 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.469 0.401 25150 5384 1 8 . 1 1 144 144 TRP CB C 144 33.000 33.000 31.375 1.625 25150 5385 1 8 . 1 1 144 144 TRP H H 144 8.094 8.094 7.848 0.246 25150 5386 1 8 . 1 1 145 145 TRP N N 145 120.330 120.330 127.913 -7.583 25150 5387 1 8 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.661 1.459 25150 5388 1 8 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.731 2.119 25150 5389 1 8 . 1 1 145 145 TRP H H 145 8.488 8.488 8.098 0.390 25150 5390 1 8 . 1 1 146 146 TYR C C 146 174.706 174.706 175.324 -0.618 25150 5391 1 8 . 1 1 146 146 TYR CA C 146 57.430 57.430 58.476 -1.046 25150 5392 1 8 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.236 -0.496 25150 5393 1 8 . 1 1 147 147 HIS N N 147 121.604 121.604 126.471 -4.867 25150 5394 1 8 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.119 0.067 25150 5395 1 8 . 1 1 147 147 HIS C C 147 176.874 176.874 173.989 2.885 25150 5396 1 8 . 1 1 147 147 HIS CA C 147 56.240 56.240 57.022 -0.782 25150 5397 1 8 . 1 1 147 147 HIS CB C 147 31.200 31.200 29.791 1.409 25150 5398 1 8 . 1 1 147 147 HIS H H 147 7.886 7.886 7.758 0.128 25150 5399 1 8 . 1 1 148 148 ASP N N 148 122.629 122.629 129.007 -6.378 25150 5400 1 8 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.674 -0.130 25150 5401 1 8 . 1 1 148 148 ASP C C 148 175.661 175.661 174.640 1.021 25150 5402 1 8 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.506 0.674 25150 5403 1 8 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.366 1.314 25150 5404 1 8 . 1 1 148 148 ASP H H 148 8.109 8.109 8.257 -0.148 25150 5405 1 8 . 1 1 149 149 ASP N N 149 121.321 121.321 119.655 1.666 25150 5406 1 8 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.421 0.233 25150 5407 1 8 . 1 1 149 149 ASP C C 149 176.551 176.551 176.116 0.435 25150 5408 1 8 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.394 -0.784 25150 5409 1 8 . 1 1 149 149 ASP CB C 149 41.360 41.360 39.240 2.120 25150 5410 1 8 . 1 1 149 149 ASP H H 149 8.395 8.395 7.938 0.457 25150 5411 1 8 . 1 1 150 150 THR N N 150 113.450 113.450 109.109 4.341 25150 5412 1 8 . 1 1 150 150 THR HA H 150 4.296 4.296 4.110 0.186 25150 5413 1 8 . 1 1 150 150 THR C C 150 173.994 173.994 174.377 -0.383 25150 5414 1 8 . 1 1 150 150 THR CA C 150 62.310 62.310 62.553 -0.243 25150 5415 1 8 . 1 1 150 150 THR CB C 150 69.870 69.870 69.523 0.347 25150 5416 1 8 . 1 1 150 150 THR H H 150 8.259 8.259 7.357 0.902 25150 5417 1 9 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.298 -0.004 25150 5418 1 9 . 1 1 6 6 LYS C C 6 176.970 176.970 179.461 -2.491 25150 5419 1 9 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.333 -0.963 25150 5420 1 9 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.279 0.201 25150 5421 1 9 . 1 1 7 7 ARG N N 7 119.704 119.704 120.042 -0.338 25150 5422 1 9 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.086 0.112 25150 5423 1 9 . 1 1 7 7 ARG C C 7 178.270 178.270 178.915 -0.645 25150 5424 1 9 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.623 -0.593 25150 5425 1 9 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.235 -1.675 25150 5426 1 9 . 1 1 7 7 ARG H H 7 8.599 8.599 8.521 0.078 25150 5427 1 9 . 1 1 8 8 LEU N N 8 119.704 119.704 120.156 -0.452 25150 5428 1 9 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.171 -0.081 25150 5429 1 9 . 1 1 8 8 LEU C C 8 178.980 178.980 179.395 -0.415 25150 5430 1 9 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.656 0.634 25150 5431 1 9 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.709 0.351 25150 5432 1 9 . 1 1 8 8 LEU H H 8 8.599 8.599 8.045 0.554 25150 5433 1 9 . 1 1 9 9 GLN N N 9 117.512 117.512 119.254 -1.742 25150 5434 1 9 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.987 0.050 25150 5435 1 9 . 1 1 9 9 GLN C C 9 178.610 178.610 178.582 0.028 25150 5436 1 9 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.478 -0.168 25150 5437 1 9 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.480 -0.000 25150 5438 1 9 . 1 1 9 9 GLN H H 9 8.066 8.066 8.401 -0.335 25150 5439 1 9 . 1 1 10 10 LYS N N 10 119.556 119.556 119.740 -0.184 25150 5440 1 9 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.972 0.108 25150 5441 1 9 . 1 1 10 10 LYS C C 10 180.040 180.040 178.774 1.266 25150 5442 1 9 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.818 -0.138 25150 5443 1 9 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.246 0.214 25150 5444 1 9 . 1 1 10 10 LYS H H 10 7.678 7.678 8.294 -0.616 25150 5445 1 9 . 1 1 11 11 GLU N N 11 120.347 120.347 120.773 -0.426 25150 5446 1 9 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.114 0.062 25150 5447 1 9 . 1 1 11 11 GLU C C 11 178.770 178.770 178.998 -0.228 25150 5448 1 9 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.555 1.485 25150 5449 1 9 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.711 0.949 25150 5450 1 9 . 1 1 11 11 GLU H H 11 8.533 8.533 7.982 0.551 25150 5451 1 9 . 1 1 12 12 LEU N N 12 123.285 123.285 119.956 3.329 25150 5452 1 9 . 1 1 12 12 LEU C C 12 178.570 178.570 179.258 -0.688 25150 5453 1 9 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.680 0.440 25150 5454 1 9 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.735 -0.655 25150 5455 1 9 . 1 1 12 12 LEU H H 12 8.685 8.685 8.353 0.332 25150 5456 1 9 . 1 1 13 13 LEU N N 13 118.881 118.881 119.423 -0.542 25150 5457 1 9 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.165 -0.168 25150 5458 1 9 . 1 1 13 13 LEU C C 13 179.260 179.260 179.321 -0.061 25150 5459 1 9 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.691 0.209 25150 5460 1 9 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.436 0.454 25150 5461 1 9 . 1 1 13 13 LEU H H 13 7.588 7.588 8.146 -0.558 25150 5462 1 9 . 1 1 14 14 ALA N N 14 120.667 120.667 122.356 -1.689 25150 5463 1 9 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.032 0.158 25150 5464 1 9 . 1 1 14 14 ALA C C 14 176.270 176.270 179.771 -3.501 25150 5465 1 9 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.148 0.042 25150 5466 1 9 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.232 -0.202 25150 5467 1 9 . 1 1 14 14 ALA H H 14 7.617 7.617 7.949 -0.332 25150 5468 1 9 . 1 1 15 15 LEU N N 15 119.965 119.965 118.755 1.210 25150 5469 1 9 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.244 0.206 25150 5470 1 9 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.610 0.650 25150 5471 1 9 . 1 1 15 15 LEU H H 15 7.726 7.726 8.168 -0.442 25150 5472 1 9 . 1 1 16 16 GLN N N 16 115.381 115.381 117.932 -2.551 25150 5473 1 9 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.980 -0.002 25150 5474 1 9 . 1 1 16 16 GLN C C 16 177.950 177.950 178.383 -0.433 25150 5475 1 9 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.330 0.130 25150 5476 1 9 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.572 1.218 25150 5477 1 9 . 1 1 16 16 GLN H H 16 8.028 8.028 8.295 -0.267 25150 5478 1 9 . 1 1 17 17 ASN N N 17 114.975 114.975 116.599 -1.624 25150 5479 1 9 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.587 0.043 25150 5480 1 9 . 1 1 17 17 ASN C C 17 175.303 175.303 175.377 -0.074 25150 5481 1 9 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.092 -0.212 25150 5482 1 9 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.200 0.650 25150 5483 1 9 . 1 1 17 17 ASN H H 17 8.136 8.136 7.891 0.245 25150 5484 1 9 . 1 1 18 18 ASP N N 18 119.698 119.698 118.609 1.089 25150 5485 1 9 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.181 1.279 25150 5486 1 9 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.039 -0.529 25150 5487 1 9 . 1 1 18 18 ASP H H 18 8.218 8.218 7.977 0.241 25150 5488 1 9 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.286 0.029 25150 5489 1 9 . 1 1 21 21 PRO C C 21 177.867 177.867 177.665 0.202 25150 5490 1 9 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.013 -0.193 25150 5491 1 9 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.250 0.320 25150 5492 1 9 . 1 1 22 22 GLY N N 22 111.293 111.293 112.297 -1.004 25150 5493 1 9 . 1 1 22 22 GLY C C 22 174.342 174.342 173.064 1.278 25150 5494 1 9 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.260 0.730 25150 5495 1 9 . 1 1 22 22 GLY H H 22 8.506 8.506 8.648 -0.142 25150 5496 1 9 . 1 1 23 23 MET N N 23 118.966 118.966 118.556 0.410 25150 5497 1 9 . 1 1 23 23 MET HA H 23 5.699 5.699 5.466 0.233 25150 5498 1 9 . 1 1 23 23 MET C C 23 175.386 175.386 174.181 1.205 25150 5499 1 9 . 1 1 23 23 MET CA C 23 55.270 55.270 55.098 0.172 25150 5500 1 9 . 1 1 23 23 MET CB C 23 35.890 35.890 36.802 -0.912 25150 5501 1 9 . 1 1 23 23 MET H H 23 8.017 8.017 7.820 0.197 25150 5502 1 9 . 1 1 24 24 THR N N 24 112.647 112.647 121.975 -9.328 25150 5503 1 9 . 1 1 24 24 THR HA H 24 4.596 4.596 4.622 -0.026 25150 5504 1 9 . 1 1 24 24 THR C C 24 173.407 173.407 173.411 -0.004 25150 5505 1 9 . 1 1 24 24 THR CA C 24 60.850 60.850 61.808 -0.958 25150 5506 1 9 . 1 1 24 24 THR CB C 24 72.360 72.360 70.047 2.313 25150 5507 1 9 . 1 1 24 24 THR H H 24 8.565 8.565 8.749 -0.184 25150 5508 1 9 . 1 1 25 25 LEU N N 25 126.920 126.920 128.239 -1.319 25150 5509 1 9 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.509 -0.213 25150 5510 1 9 . 1 1 25 25 LEU C C 25 175.624 175.624 175.680 -0.056 25150 5511 1 9 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.229 1.941 25150 5512 1 9 . 1 1 25 25 LEU CB C 25 42.710 42.710 43.483 -0.773 25150 5513 1 9 . 1 1 25 25 LEU H H 25 9.189 9.189 8.613 0.576 25150 5514 1 9 . 1 1 26 26 ASN N N 26 127.108 127.108 120.580 6.528 25150 5515 1 9 . 1 1 26 26 ASN C C 26 173.783 173.783 172.669 1.114 25150 5516 1 9 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.295 1.805 25150 5517 1 9 . 1 1 26 26 ASN CB C 26 40.370 40.370 41.386 -1.016 25150 5518 1 9 . 1 1 26 26 ASN H H 26 9.000 9.000 8.272 0.728 25150 5519 1 9 . 1 1 27 27 GLU N N 27 108.990 108.990 125.153 -16.163 25150 5520 1 9 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.909 -0.299 25150 5521 1 9 . 1 1 27 27 GLU H H 27 7.631 7.631 8.182 -0.551 25150 5522 1 9 . 1 1 30 30 VAL C C 30 177.011 177.011 177.018 -0.007 25150 5523 1 9 . 1 1 30 30 VAL CA C 30 55.230 55.230 59.870 -4.640 25150 5524 1 9 . 1 1 30 30 VAL CB C 30 30.860 30.860 34.723 -3.863 25150 5525 1 9 . 1 1 31 31 GLN N N 31 125.960 125.960 120.544 5.416 25150 5526 1 9 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.119 0.311 25150 5527 1 9 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.374 0.756 25150 5528 1 9 . 1 1 31 31 GLN H H 31 7.880 7.880 8.727 -0.847 25150 5529 1 9 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.227 0.433 25150 5530 1 9 . 1 1 34 34 ILE C C 34 178.642 178.642 175.954 2.688 25150 5531 1 9 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.316 -5.346 25150 5532 1 9 . 1 1 34 34 ILE CB C 34 42.000 42.000 39.142 2.858 25150 5533 1 9 . 1 1 35 35 THR N N 35 110.980 110.980 125.387 -14.407 25150 5534 1 9 . 1 1 35 35 THR CA C 35 61.070 61.070 64.390 -3.320 25150 5535 1 9 . 1 1 35 35 THR CB C 35 69.090 69.090 68.309 0.781 25150 5536 1 9 . 1 1 35 35 THR H H 35 7.825 7.825 8.832 -1.007 25150 5537 1 9 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.586 0.038 25150 5538 1 9 . 1 1 36 36 GLN C C 36 174.178 174.178 175.163 -0.985 25150 5539 1 9 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.587 0.503 25150 5540 1 9 . 1 1 36 36 GLN CB C 36 32.290 32.290 33.954 -1.664 25150 5541 1 9 . 1 1 37 37 TRP N N 37 123.942 123.942 122.655 1.287 25150 5542 1 9 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.195 0.381 25150 5543 1 9 . 1 1 37 37 TRP C C 37 174.959 174.959 175.480 -0.521 25150 5544 1 9 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.731 -1.101 25150 5545 1 9 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.115 0.834 25150 5546 1 9 . 1 1 37 37 TRP H H 37 9.242 9.242 9.511 -0.269 25150 5547 1 9 . 1 1 38 38 ILE N N 38 121.559 121.559 122.300 -0.741 25150 5548 1 9 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.371 -0.092 25150 5549 1 9 . 1 1 38 38 ILE CA C 38 59.430 59.430 58.950 0.480 25150 5550 1 9 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.018 0.222 25150 5551 1 9 . 1 1 38 38 ILE H H 38 8.778 8.778 8.846 -0.068 25150 5552 1 9 . 1 1 39 39 VAL N N 39 128.719 128.719 127.690 1.029 25150 5553 1 9 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.583 -0.002 25150 5554 1 9 . 1 1 39 39 VAL C C 39 175.175 175.175 175.058 0.117 25150 5555 1 9 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.762 0.488 25150 5556 1 9 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.424 1.426 25150 5557 1 9 . 1 1 39 39 VAL H H 39 9.533 9.533 9.156 0.377 25150 5558 1 9 . 1 1 40 40 ASP N N 40 128.451 128.451 128.921 -0.470 25150 5559 1 9 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.648 -0.430 25150 5560 1 9 . 1 1 40 40 ASP C C 40 175.157 175.157 175.503 -0.346 25150 5561 1 9 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.101 2.209 25150 5562 1 9 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.404 0.096 25150 5563 1 9 . 1 1 40 40 ASP H H 40 9.165 9.165 8.704 0.461 25150 5564 1 9 . 1 1 41 41 MET N N 41 120.544 120.544 122.888 -2.344 25150 5565 1 9 . 1 1 41 41 MET HA H 41 5.467 5.467 5.326 0.141 25150 5566 1 9 . 1 1 41 41 MET C C 41 173.590 173.590 175.238 -1.648 25150 5567 1 9 . 1 1 41 41 MET CA C 41 54.610 54.610 54.454 0.156 25150 5568 1 9 . 1 1 41 41 MET CB C 41 37.490 37.490 37.503 -0.013 25150 5569 1 9 . 1 1 41 41 MET H H 41 8.756 8.756 8.983 -0.227 25150 5570 1 9 . 1 1 42 42 GLU N N 42 125.740 125.740 123.466 2.274 25150 5571 1 9 . 1 1 42 42 GLU HA H 42 5.010 5.010 4.986 0.024 25150 5572 1 9 . 1 1 42 42 GLU C C 42 177.323 177.323 177.196 0.127 25150 5573 1 9 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.664 -0.184 25150 5574 1 9 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.529 -0.270 25150 5575 1 9 . 1 1 42 42 GLU H H 42 8.706 8.706 8.602 0.104 25150 5576 1 9 . 1 1 43 43 GLY N N 43 111.314 111.314 113.952 -2.638 25150 5577 1 9 . 1 1 43 43 GLY C C 43 174.121 174.121 174.287 -0.166 25150 5578 1 9 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.520 -0.130 25150 5579 1 9 . 1 1 43 43 GLY H H 43 8.917 8.917 8.741 0.176 25150 5580 1 9 . 1 1 44 44 ALA N N 44 128.665 128.665 128.712 -0.047 25150 5581 1 9 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.420 0.640 25150 5582 1 9 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.844 -0.374 25150 5583 1 9 . 1 1 44 44 ALA H H 44 8.918 8.918 8.468 0.450 25150 5584 1 9 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.269 0.031 25150 5585 1 9 . 1 1 45 45 PRO C C 45 177.598 177.598 177.519 0.079 25150 5586 1 9 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.663 -0.253 25150 5587 1 9 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.506 0.284 25150 5588 1 9 . 1 1 46 46 GLY N N 46 111.319 111.319 113.231 -1.912 25150 5589 1 9 . 1 1 46 46 GLY C C 46 174.290 174.290 174.720 -0.430 25150 5590 1 9 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.241 0.669 25150 5591 1 9 . 1 1 46 46 GLY H H 46 9.449 9.449 9.322 0.127 25150 5592 1 9 . 1 1 47 47 THR N N 47 107.981 107.981 112.242 -4.261 25150 5593 1 9 . 1 1 47 47 THR HA H 47 4.801 4.801 4.623 0.178 25150 5594 1 9 . 1 1 47 47 THR C C 47 176.158 176.158 176.106 0.052 25150 5595 1 9 . 1 1 47 47 THR CA C 47 60.380 60.380 59.918 0.462 25150 5596 1 9 . 1 1 47 47 THR CB C 47 73.420 73.420 71.332 2.088 25150 5597 1 9 . 1 1 47 47 THR H H 47 7.426 7.426 7.489 -0.063 25150 5598 1 9 . 1 1 48 48 LEU N N 48 119.132 119.132 120.722 -1.590 25150 5599 1 9 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.105 -0.048 25150 5600 1 9 . 1 1 48 48 LEU C C 48 175.907 175.907 177.256 -1.349 25150 5601 1 9 . 1 1 48 48 LEU CA C 48 56.490 56.490 57.068 -0.578 25150 5602 1 9 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.719 -0.099 25150 5603 1 9 . 1 1 48 48 LEU H H 48 8.966 8.966 8.818 0.148 25150 5604 1 9 . 1 1 49 49 TYR N N 49 113.649 113.649 115.231 -1.582 25150 5605 1 9 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.812 0.013 25150 5606 1 9 . 1 1 49 49 TYR C C 49 174.634 174.634 175.420 -0.786 25150 5607 1 9 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.693 -0.583 25150 5608 1 9 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.070 -0.680 25150 5609 1 9 . 1 1 49 49 TYR H H 49 7.205 7.205 7.781 -0.576 25150 5610 1 9 . 1 1 50 50 GLU N N 50 122.006 122.006 121.747 0.259 25150 5611 1 9 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.048 -0.571 25150 5612 1 9 . 1 1 50 50 GLU C C 50 177.182 177.182 177.851 -0.669 25150 5613 1 9 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.196 -0.096 25150 5614 1 9 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.247 0.793 25150 5615 1 9 . 1 1 50 50 GLU H H 50 6.934 6.934 7.597 -0.663 25150 5616 1 9 . 1 1 51 51 GLY N N 51 115.165 115.165 115.736 -0.571 25150 5617 1 9 . 1 1 51 51 GLY C C 51 173.997 173.997 174.010 -0.013 25150 5618 1 9 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.832 0.668 25150 5619 1 9 . 1 1 51 51 GLY H H 51 8.752 8.752 8.735 0.017 25150 5620 1 9 . 1 1 52 52 GLU N N 52 120.251 120.251 121.997 -1.746 25150 5621 1 9 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.216 -0.246 25150 5622 1 9 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.986 0.454 25150 5623 1 9 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.778 1.922 25150 5624 1 9 . 1 1 52 52 GLU H H 52 7.900 7.900 8.029 -0.129 25150 5625 1 9 . 1 1 53 53 LYS N N 53 120.435 120.435 126.781 -6.346 25150 5626 1 9 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.967 -0.281 25150 5627 1 9 . 1 1 53 53 LYS C C 53 175.285 175.285 175.628 -0.343 25150 5628 1 9 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.709 -0.329 25150 5629 1 9 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.342 0.718 25150 5630 1 9 . 1 1 53 53 LYS H H 53 8.046 8.046 8.305 -0.259 25150 5631 1 9 . 1 1 54 54 PHE N N 54 122.724 122.724 124.307 -1.583 25150 5632 1 9 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.863 0.657 25150 5633 1 9 . 1 1 54 54 PHE C C 54 175.151 175.151 174.431 0.720 25150 5634 1 9 . 1 1 54 54 PHE CA C 54 54.690 54.690 57.261 -2.571 25150 5635 1 9 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.324 1.276 25150 5636 1 9 . 1 1 54 54 PHE H H 54 9.082 9.082 8.973 0.109 25150 5637 1 9 . 1 1 55 55 GLN N N 55 121.971 121.971 122.586 -0.615 25150 5638 1 9 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.502 -0.151 25150 5639 1 9 . 1 1 55 55 GLN C C 55 173.802 173.802 174.319 -0.517 25150 5640 1 9 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.726 1.474 25150 5641 1 9 . 1 1 55 55 GLN CB C 55 34.320 34.320 31.887 2.433 25150 5642 1 9 . 1 1 55 55 GLN H H 55 10.001 10.001 9.137 0.864 25150 5643 1 9 . 1 1 56 56 LEU N N 56 124.898 124.898 126.428 -1.530 25150 5644 1 9 . 1 1 56 56 LEU HA H 56 4.692 4.692 4.943 -0.251 25150 5645 1 9 . 1 1 56 56 LEU C C 56 174.265 174.265 174.824 -0.559 25150 5646 1 9 . 1 1 56 56 LEU CA C 56 53.420 53.420 54.057 -0.637 25150 5647 1 9 . 1 1 56 56 LEU CB C 56 46.690 46.690 46.239 0.452 25150 5648 1 9 . 1 1 56 56 LEU H H 56 9.573 9.573 9.077 0.496 25150 5649 1 9 . 1 1 57 57 LEU N N 57 124.234 124.234 122.584 1.650 25150 5650 1 9 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.245 -0.075 25150 5651 1 9 . 1 1 57 57 LEU C C 57 174.551 174.551 174.508 0.043 25150 5652 1 9 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.430 0.240 25150 5653 1 9 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.899 0.621 25150 5654 1 9 . 1 1 57 57 LEU H H 57 8.890 8.890 8.989 -0.099 25150 5655 1 9 . 1 1 58 58 PHE N N 58 124.003 124.003 127.177 -3.174 25150 5656 1 9 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.051 -0.301 25150 5657 1 9 . 1 1 58 58 PHE C C 58 174.407 174.407 174.381 0.026 25150 5658 1 9 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.793 0.207 25150 5659 1 9 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.296 2.644 25150 5660 1 9 . 1 1 58 58 PHE H H 58 9.134 9.134 9.320 -0.186 25150 5661 1 9 . 1 1 59 59 LYS N N 59 120.089 120.089 124.579 -4.490 25150 5662 1 9 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.640 0.243 25150 5663 1 9 . 1 1 59 59 LYS C C 59 175.192 175.192 174.726 0.466 25150 5664 1 9 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.044 -0.224 25150 5665 1 9 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.264 1.266 25150 5666 1 9 . 1 1 59 59 LYS H H 59 8.732 8.732 8.441 0.291 25150 5667 1 9 . 1 1 60 60 PHE N N 60 123.988 123.988 126.535 -2.547 25150 5668 1 9 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.464 -0.160 25150 5669 1 9 . 1 1 60 60 PHE C C 60 174.636 174.636 175.017 -0.381 25150 5670 1 9 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.358 -0.108 25150 5671 1 9 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.682 0.478 25150 5672 1 9 . 1 1 60 60 PHE H H 60 8.649 8.649 8.705 -0.056 25150 5673 1 9 . 1 1 61 61 SER N N 61 117.599 117.599 117.081 0.518 25150 5674 1 9 . 1 1 61 61 SER C C 61 174.771 174.771 174.748 0.023 25150 5675 1 9 . 1 1 61 61 SER CA C 61 57.130 57.130 57.104 0.026 25150 5676 1 9 . 1 1 61 61 SER CB C 61 66.030 66.030 65.124 0.906 25150 5677 1 9 . 1 1 61 61 SER H H 61 8.066 8.066 8.502 -0.436 25150 5678 1 9 . 1 1 62 62 SER N N 62 119.994 119.994 114.681 5.313 25150 5679 1 9 . 1 1 62 62 SER CA C 62 61.650 61.650 59.996 1.653 25150 5680 1 9 . 1 1 62 62 SER H H 62 8.265 8.265 8.687 -0.422 25150 5681 1 9 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.263 0.187 25150 5682 1 9 . 1 1 63 63 ARG C C 63 175.086 175.086 177.495 -2.409 25150 5683 1 9 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.033 0.636 25150 5684 1 9 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.473 -0.423 25150 5685 1 9 . 1 1 64 64 TYR N N 64 120.957 120.957 124.582 -3.625 25150 5686 1 9 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.512 1.168 25150 5687 1 9 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.300 -0.580 25150 5688 1 9 . 1 1 64 64 TYR H H 64 7.471 7.471 8.203 -0.732 25150 5689 1 9 . 1 1 65 65 PRO HA H 65 3.670 3.670 4.045 -0.375 25150 5690 1 9 . 1 1 65 65 PRO C C 65 174.345 174.345 176.158 -1.813 25150 5691 1 9 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.528 0.932 25150 5692 1 9 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.523 2.847 25150 5693 1 9 . 1 1 66 66 PHE N N 66 126.070 126.070 121.658 4.412 25150 5694 1 9 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.229 0.014 25150 5695 1 9 . 1 1 66 66 PHE C C 66 175.867 175.867 175.041 0.826 25150 5696 1 9 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.126 -0.046 25150 5697 1 9 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.597 -1.587 25150 5698 1 9 . 1 1 66 66 PHE H H 66 8.630 8.630 8.093 0.537 25150 5699 1 9 . 1 1 67 67 ASP N N 67 118.021 118.021 118.049 -0.028 25150 5700 1 9 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.751 -0.792 25150 5701 1 9 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.032 -47.402 25150 5702 1 9 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.464 -7.624 25150 5703 1 9 . 1 1 67 67 ASP H H 67 7.126 7.126 8.429 -1.303 25150 5704 1 9 . 1 1 68 68 SER N N 68 120.730 120.730 115.681 5.049 25150 5705 1 9 . 1 1 68 68 SER CA C 68 55.750 55.750 54.686 1.064 25150 5706 1 9 . 1 1 68 68 SER CB C 68 61.900 61.900 63.104 -1.204 25150 5707 1 9 . 1 1 68 68 SER H H 68 8.091 8.091 8.088 0.003 25150 5708 1 9 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.273 0.083 25150 5709 1 9 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.374 -0.294 25150 5710 1 9 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.248 0.462 25150 5711 1 9 . 1 1 70 70 GLN N N 70 119.493 119.493 119.769 -0.276 25150 5712 1 9 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.128 -0.058 25150 5713 1 9 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.694 1.796 25150 5714 1 9 . 1 1 70 70 GLN H H 70 8.049 8.049 8.098 -0.049 25150 5715 1 9 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.233 0.167 25150 5716 1 9 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.737 -0.927 25150 5717 1 9 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.419 0.421 25150 5718 1 9 . 1 1 72 72 MET N N 72 120.767 120.767 121.342 -0.575 25150 5719 1 9 . 1 1 72 72 MET HA H 72 4.731 4.731 4.907 -0.176 25150 5720 1 9 . 1 1 72 72 MET C C 72 174.779 174.779 173.858 0.921 25150 5721 1 9 . 1 1 72 72 MET CA C 72 54.390 54.390 54.267 0.123 25150 5722 1 9 . 1 1 72 72 MET CB C 72 36.140 36.140 36.496 -0.356 25150 5723 1 9 . 1 1 72 72 MET H H 72 8.245 8.245 8.128 0.117 25150 5724 1 9 . 1 1 73 73 PHE N N 73 120.458 120.458 118.848 1.610 25150 5725 1 9 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.944 0.270 25150 5726 1 9 . 1 1 73 73 PHE C C 73 175.404 175.404 176.054 -0.650 25150 5727 1 9 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.916 0.664 25150 5728 1 9 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.266 0.354 25150 5729 1 9 . 1 1 73 73 PHE H H 73 9.193 9.193 8.644 0.549 25150 5730 1 9 . 1 1 74 74 THR N N 74 113.842 113.842 115.190 -1.348 25150 5731 1 9 . 1 1 74 74 THR HA H 74 4.777 4.777 4.660 0.117 25150 5732 1 9 . 1 1 74 74 THR C C 74 173.551 173.551 174.104 -0.553 25150 5733 1 9 . 1 1 74 74 THR CA C 74 59.580 59.580 60.759 -1.179 25150 5734 1 9 . 1 1 74 74 THR CB C 74 71.300 71.300 70.995 0.305 25150 5735 1 9 . 1 1 74 74 THR H H 74 8.894 8.894 8.694 0.200 25150 5736 1 9 . 1 1 75 75 GLY N N 75 109.259 109.259 113.333 -4.074 25150 5737 1 9 . 1 1 75 75 GLY C C 75 173.980 173.980 173.556 0.424 25150 5738 1 9 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.752 -0.042 25150 5739 1 9 . 1 1 75 75 GLY H H 75 8.058 8.058 7.902 0.156 25150 5740 1 9 . 1 1 76 76 GLU N N 76 116.661 116.661 117.928 -1.267 25150 5741 1 9 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.185 -0.044 25150 5742 1 9 . 1 1 76 76 GLU C C 76 176.624 176.624 175.827 0.797 25150 5743 1 9 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.421 0.619 25150 5744 1 9 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.753 1.157 25150 5745 1 9 . 1 1 76 76 GLU H H 76 8.356 8.356 8.504 -0.148 25150 5746 1 9 . 1 1 77 77 ASN N N 77 118.469 118.469 119.148 -0.679 25150 5747 1 9 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.851 0.259 25150 5748 1 9 . 1 1 77 77 ASN C C 77 176.525 176.525 173.579 2.946 25150 5749 1 9 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.600 -0.360 25150 5750 1 9 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.079 0.631 25150 5751 1 9 . 1 1 77 77 ASN H H 77 8.614 8.614 8.169 0.445 25150 5752 1 9 . 1 1 78 78 ILE N N 78 117.605 117.605 124.924 -7.319 25150 5753 1 9 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.664 2.726 25150 5754 1 9 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.126 4.514 25150 5755 1 9 . 1 1 78 78 ILE H H 78 7.736 7.736 8.223 -0.487 25150 5756 1 9 . 1 1 79 79 PRO C C 79 176.134 176.134 175.820 0.314 25150 5757 1 9 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.011 0.819 25150 5758 1 9 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.467 -1.307 25150 5759 1 9 . 1 1 80 80 VAL N N 80 123.378 123.378 120.363 3.015 25150 5760 1 9 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.214 0.616 25150 5761 1 9 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.351 -2.431 25150 5762 1 9 . 1 1 80 80 VAL H H 80 8.297 8.297 8.501 -0.204 25150 5763 1 9 . 1 1 82 82 PRO C C 82 176.169 176.169 176.510 -0.341 25150 5764 1 9 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.954 -0.244 25150 5765 1 9 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.857 -0.187 25150 5766 1 9 . 1 1 83 83 HIS N N 83 121.199 121.199 113.343 7.856 25150 5767 1 9 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.676 0.165 25150 5768 1 9 . 1 1 83 83 HIS C C 83 173.457 173.457 173.947 -0.490 25150 5769 1 9 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.988 -1.308 25150 5770 1 9 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.517 0.713 25150 5771 1 9 . 1 1 83 83 HIS H H 83 10.996 10.996 8.862 2.134 25150 5772 1 9 . 1 1 84 84 VAL N N 84 121.050 121.050 120.622 0.428 25150 5773 1 9 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.874 -0.097 25150 5774 1 9 . 1 1 84 84 VAL C C 84 175.155 175.155 174.561 0.594 25150 5775 1 9 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.770 0.330 25150 5776 1 9 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.978 0.132 25150 5777 1 9 . 1 1 84 84 VAL H H 84 8.058 8.058 7.679 0.379 25150 5778 1 9 . 1 1 85 85 TYR N N 85 126.195 126.195 125.141 1.054 25150 5779 1 9 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.741 -0.056 25150 5780 1 9 . 1 1 85 85 TYR C C 85 179.268 179.268 177.301 1.967 25150 5781 1 9 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.501 1.889 25150 5782 1 9 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.254 1.016 25150 5783 1 9 . 1 1 85 85 TYR H H 85 9.136 9.136 9.041 0.095 25150 5784 1 9 . 1 1 86 86 SER N N 86 115.546 115.546 117.095 -1.549 25150 5785 1 9 . 1 1 86 86 SER HA H 86 3.935 3.935 4.181 -0.246 25150 5786 1 9 . 1 1 86 86 SER C C 86 174.309 174.309 174.598 -0.289 25150 5787 1 9 . 1 1 86 86 SER CA C 86 61.890 61.890 60.551 1.339 25150 5788 1 9 . 1 1 86 86 SER CB C 86 62.230 62.230 63.202 -0.972 25150 5789 1 9 . 1 1 86 86 SER H H 86 10.052 10.052 8.775 1.277 25150 5790 1 9 . 1 1 87 87 ASN N N 87 116.470 116.470 116.260 0.210 25150 5791 1 9 . 1 1 87 87 ASN C C 87 175.624 175.624 176.216 -0.592 25150 5792 1 9 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.195 0.145 25150 5793 1 9 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.404 0.086 25150 5794 1 9 . 1 1 87 87 ASN H H 87 7.331 7.331 7.863 -0.532 25150 5795 1 9 . 1 1 88 88 GLY N N 88 108.412 108.412 107.944 0.468 25150 5796 1 9 . 1 1 88 88 GLY C C 88 174.247 174.247 174.369 -0.122 25150 5797 1 9 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.287 0.623 25150 5798 1 9 . 1 1 88 88 GLY H H 88 8.737 8.737 8.329 0.408 25150 5799 1 9 . 1 1 89 89 HIS N N 89 119.508 119.508 122.337 -2.829 25150 5800 1 9 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.504 -1.204 25150 5801 1 9 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.518 1.342 25150 5802 1 9 . 1 1 89 89 HIS H H 89 7.494 7.494 8.512 -1.018 25150 5803 1 9 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.717 -0.303 25150 5804 1 9 . 1 1 90 90 ILE C C 90 174.510 174.510 176.250 -1.740 25150 5805 1 9 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.102 -1.782 25150 5806 1 9 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.581 -0.301 25150 5807 1 9 . 1 1 91 91 CYS N N 91 123.587 123.587 128.670 -5.083 25150 5808 1 9 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.648 4.932 25150 5809 1 9 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.807 7.583 25150 5810 1 9 . 1 1 91 91 CYS H H 91 7.304 7.304 8.838 -1.534 25150 5811 1 9 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.790 -0.119 25150 5812 1 9 . 1 1 92 92 LEU C C 92 175.822 175.822 177.956 -2.134 25150 5813 1 9 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.208 6.252 25150 5814 1 9 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.011 -3.591 25150 5815 1 9 . 1 1 93 93 SER N N 93 111.707 111.707 120.053 -8.346 25150 5816 1 9 . 1 1 93 93 SER HA H 93 4.331 4.331 4.315 0.016 25150 5817 1 9 . 1 1 93 93 SER C C 93 177.433 177.433 176.334 1.099 25150 5818 1 9 . 1 1 93 93 SER CA C 93 62.150 62.150 60.688 1.462 25150 5819 1 9 . 1 1 93 93 SER H H 93 9.037 9.037 8.935 0.102 25150 5820 1 9 . 1 1 94 94 ILE N N 94 118.993 118.993 115.390 3.603 25150 5821 1 9 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.922 169.616 25150 5822 1 9 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.315 0.995 25150 5823 1 9 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.304 0.596 25150 5824 1 9 . 1 1 94 94 ILE H H 94 7.859 7.859 8.056 -0.197 25150 5825 1 9 . 1 1 95 95 LEU N N 95 113.763 113.763 118.076 -4.313 25150 5826 1 9 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.552 0.100 25150 5827 1 9 . 1 1 95 95 LEU C C 95 178.458 178.458 177.732 0.726 25150 5828 1 9 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.966 -0.636 25150 5829 1 9 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.385 -0.305 25150 5830 1 9 . 1 1 95 95 LEU H H 95 7.351 7.351 7.755 -0.404 25150 5831 1 9 . 1 1 96 96 THR N N 96 109.929 109.929 111.826 -1.897 25150 5832 1 9 . 1 1 96 96 THR HA H 96 4.338 4.338 4.420 -0.082 25150 5833 1 9 . 1 1 96 96 THR C C 96 175.947 175.947 176.130 -0.183 25150 5834 1 9 . 1 1 96 96 THR CA C 96 60.960 60.960 63.191 -2.231 25150 5835 1 9 . 1 1 96 96 THR CB C 96 69.280 69.280 68.856 0.424 25150 5836 1 9 . 1 1 96 96 THR H H 96 7.794 7.794 7.871 -0.077 25150 5837 1 9 . 1 1 97 97 GLU N N 97 123.314 123.314 121.743 1.571 25150 5838 1 9 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.057 0.260 25150 5839 1 9 . 1 1 97 97 GLU C C 97 176.907 176.907 177.141 -0.234 25150 5840 1 9 . 1 1 97 97 GLU CA C 97 58.680 58.680 59.177 -0.497 25150 5841 1 9 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.536 1.254 25150 5842 1 9 . 1 1 97 97 GLU H H 97 8.913 8.913 8.591 0.322 25150 5843 1 9 . 1 1 98 98 ASP N N 98 116.420 116.420 116.923 -0.503 25150 5844 1 9 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.915 0.275 25150 5845 1 9 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.176 0.324 25150 5846 1 9 . 1 1 98 98 ASP H H 98 8.124 8.124 8.098 0.026 25150 5847 1 9 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.507 -0.087 25150 5848 1 9 . 1 1 99 99 TRP C C 99 176.495 176.495 175.013 1.482 25150 5849 1 9 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.443 -0.013 25150 5850 1 9 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.485 -0.905 25150 5851 1 9 . 1 1 100 100 SER N N 100 120.993 120.993 119.008 1.985 25150 5852 1 9 . 1 1 100 100 SER CA C 100 55.370 55.370 54.784 0.586 25150 5853 1 9 . 1 1 100 100 SER CB C 100 64.860 64.860 64.568 0.292 25150 5854 1 9 . 1 1 100 100 SER H H 100 5.703 5.703 6.917 -1.214 25150 5855 1 9 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.000 0.193 25150 5856 1 9 . 1 1 101 101 PRO C C 101 175.227 175.227 176.474 -1.247 25150 5857 1 9 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.619 -0.919 25150 5858 1 9 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.454 -0.034 25150 5859 1 9 . 1 1 102 102 ALA N N 102 118.668 118.668 117.302 1.366 25150 5860 1 9 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.112 -0.018 25150 5861 1 9 . 1 1 102 102 ALA C C 102 178.797 178.797 177.642 1.155 25150 5862 1 9 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.581 0.249 25150 5863 1 9 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.630 0.380 25150 5864 1 9 . 1 1 102 102 ALA H H 102 7.290 7.290 7.572 -0.282 25150 5865 1 9 . 1 1 103 103 LEU N N 103 119.365 119.365 119.502 -0.137 25150 5866 1 9 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.285 -0.075 25150 5867 1 9 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.302 -0.592 25150 5868 1 9 . 1 1 103 103 LEU H H 103 7.263 7.263 7.114 0.149 25150 5869 1 9 . 1 1 104 104 SER HA H 104 4.381 4.381 4.631 -0.250 25150 5870 1 9 . 1 1 104 104 SER C C 104 175.278 175.278 175.575 -0.297 25150 5871 1 9 . 1 1 104 104 SER CA C 104 56.500 56.500 56.959 -0.459 25150 5872 1 9 . 1 1 104 104 SER CB C 104 66.770 66.770 65.802 0.968 25150 5873 1 9 . 1 1 105 105 VAL N N 105 123.025 123.025 122.146 0.879 25150 5874 1 9 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.667 -0.055 25150 5875 1 9 . 1 1 105 105 VAL C C 105 179.053 179.053 177.518 1.535 25150 5876 1 9 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.784 1.286 25150 5877 1 9 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.527 0.093 25150 5878 1 9 . 1 1 105 105 VAL H H 105 9.841 9.841 9.286 0.555 25150 5879 1 9 . 1 1 106 106 GLN N N 106 121.218 121.218 120.069 1.149 25150 5880 1 9 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.867 -0.012 25150 5881 1 9 . 1 1 106 106 GLN C C 106 177.698 177.698 178.216 -0.518 25150 5882 1 9 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.703 1.427 25150 5883 1 9 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.491 -0.262 25150 5884 1 9 . 1 1 106 106 GLN H H 106 9.109 9.109 8.149 0.960 25150 5885 1 9 . 1 1 107 107 SER N N 107 115.531 115.531 116.477 -0.946 25150 5886 1 9 . 1 1 107 107 SER C C 107 177.828 177.828 176.658 1.170 25150 5887 1 9 . 1 1 107 107 SER CA C 107 62.500 62.500 62.740 -0.240 25150 5888 1 9 . 1 1 107 107 SER CB C 107 62.670 62.670 62.908 -0.238 25150 5889 1 9 . 1 1 107 107 SER H H 107 8.209 8.209 8.138 0.071 25150 5890 1 9 . 1 1 108 108 VAL N N 108 123.756 123.756 121.936 1.820 25150 5891 1 9 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.714 -0.053 25150 5892 1 9 . 1 1 108 108 VAL C C 108 178.087 178.087 177.867 0.220 25150 5893 1 9 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.748 0.222 25150 5894 1 9 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.863 -0.153 25150 5895 1 9 . 1 1 108 108 VAL H H 108 8.256 8.256 7.820 0.436 25150 5896 1 9 . 1 1 109 109 CYS N N 109 118.175 118.175 118.332 -0.157 25150 5897 1 9 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.179 -0.244 25150 5898 1 9 . 1 1 109 109 CYS C C 109 176.918 176.918 176.935 -0.017 25150 5899 1 9 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.507 1.383 25150 5900 1 9 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.841 0.959 25150 5901 1 9 . 1 1 109 109 CYS H H 109 8.781 8.781 8.586 0.195 25150 5902 1 9 . 1 1 110 110 LEU N N 110 118.491 118.491 120.995 -2.504 25150 5903 1 9 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.949 0.161 25150 5904 1 9 . 1 1 110 110 LEU C C 110 180.150 180.150 179.109 1.041 25150 5905 1 9 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.161 0.319 25150 5906 1 9 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.440 -0.430 25150 5907 1 9 . 1 1 110 110 LEU H H 110 8.543 8.543 8.724 -0.181 25150 5908 1 9 . 1 1 111 111 SER N N 111 117.917 117.917 115.764 2.153 25150 5909 1 9 . 1 1 111 111 SER C C 111 177.009 177.009 177.082 -0.073 25150 5910 1 9 . 1 1 111 111 SER CA C 111 63.050 63.050 62.243 0.807 25150 5911 1 9 . 1 1 111 111 SER CB C 111 62.980 62.980 62.967 0.013 25150 5912 1 9 . 1 1 111 111 SER H H 111 8.181 8.181 7.974 0.207 25150 5913 1 9 . 1 1 112 112 ILE N N 112 124.764 124.764 123.376 1.388 25150 5914 1 9 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.571 0.102 25150 5915 1 9 . 1 1 112 112 ILE C C 112 177.441 177.441 177.474 -0.033 25150 5916 1 9 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.623 -0.193 25150 5917 1 9 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.749 0.201 25150 5918 1 9 . 1 1 112 112 ILE H H 112 8.249 8.249 7.985 0.264 25150 5919 1 9 . 1 1 113 113 ILE N N 113 121.123 121.123 120.260 0.863 25150 5920 1 9 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.479 0.117 25150 5921 1 9 . 1 1 113 113 ILE C C 113 179.525 179.525 178.165 1.360 25150 5922 1 9 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.644 0.616 25150 5923 1 9 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.645 1.135 25150 5924 1 9 . 1 1 113 113 ILE H H 113 8.415 8.415 8.421 -0.006 25150 5925 1 9 . 1 1 114 114 SER N N 114 115.247 115.247 116.560 -1.313 25150 5926 1 9 . 1 1 114 114 SER HA H 114 4.300 4.300 4.218 0.082 25150 5927 1 9 . 1 1 114 114 SER C C 114 176.915 176.915 176.749 0.166 25150 5928 1 9 . 1 1 114 114 SER CA C 114 61.510 61.510 61.242 0.268 25150 5929 1 9 . 1 1 114 114 SER CB C 114 62.990 62.990 63.078 -0.088 25150 5930 1 9 . 1 1 114 114 SER H H 114 8.241 8.241 8.186 0.055 25150 5931 1 9 . 1 1 115 115 MET N N 115 122.921 122.921 123.695 -0.774 25150 5932 1 9 . 1 1 115 115 MET C C 115 179.552 179.552 178.378 1.174 25150 5933 1 9 . 1 1 115 115 MET CA C 115 59.030 59.030 58.997 0.033 25150 5934 1 9 . 1 1 115 115 MET CB C 115 33.040 33.040 32.382 0.658 25150 5935 1 9 . 1 1 115 115 MET H H 115 8.216 8.216 7.928 0.288 25150 5936 1 9 . 1 1 116 116 LEU N N 116 120.553 120.553 118.266 2.287 25150 5937 1 9 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.773 0.304 25150 5938 1 9 . 1 1 116 116 LEU C C 116 179.264 179.264 179.242 0.022 25150 5939 1 9 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.106 1.664 25150 5940 1 9 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.612 -0.982 25150 5941 1 9 . 1 1 116 116 LEU H H 116 7.981 7.981 8.120 -0.139 25150 5942 1 9 . 1 1 117 117 SER N N 117 114.100 114.100 111.795 2.305 25150 5943 1 9 . 1 1 117 117 SER HA H 117 4.342 4.342 4.401 -0.059 25150 5944 1 9 . 1 1 117 117 SER C C 117 175.042 175.042 175.597 -0.555 25150 5945 1 9 . 1 1 117 117 SER CA C 117 61.700 61.700 60.263 1.437 25150 5946 1 9 . 1 1 117 117 SER CB C 117 63.120 63.120 63.747 -0.627 25150 5947 1 9 . 1 1 117 117 SER H H 117 8.467 8.467 8.100 0.367 25150 5948 1 9 . 1 1 118 118 SER N N 118 113.628 113.628 118.210 -4.582 25150 5949 1 9 . 1 1 118 118 SER HA H 118 4.485 4.485 4.601 -0.116 25150 5950 1 9 . 1 1 118 118 SER C C 118 174.142 174.142 173.782 0.360 25150 5951 1 9 . 1 1 118 118 SER CA C 118 59.000 59.000 56.379 2.622 25150 5952 1 9 . 1 1 118 118 SER CB C 118 64.040 64.040 62.187 1.853 25150 5953 1 9 . 1 1 118 118 SER H H 118 8.037 8.037 7.972 0.065 25150 5954 1 9 . 1 1 119 119 CYS N N 119 122.293 122.293 123.818 -1.525 25150 5955 1 9 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.113 -0.923 25150 5956 1 9 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.007 0.263 25150 5957 1 9 . 1 1 119 119 CYS H H 119 7.250 7.250 8.001 -0.751 25150 5958 1 9 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.522 0.018 25150 5959 1 9 . 1 1 120 120 LYS C C 120 176.345 176.345 175.138 1.207 25150 5960 1 9 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.824 9.226 25150 5961 1 9 . 1 1 120 120 LYS CB C 120 33.550 33.550 34.446 -0.896 25150 5962 1 9 . 1 1 121 121 GLU N N 121 120.936 120.936 124.681 -3.745 25150 5963 1 9 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.274 -0.045 25150 5964 1 9 . 1 1 121 121 GLU C C 121 174.053 174.053 175.206 -1.153 25150 5965 1 9 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.033 0.157 25150 5966 1 9 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.581 2.109 25150 5967 1 9 . 1 1 121 121 GLU H H 121 7.700 7.700 8.605 -0.905 25150 5968 1 9 . 1 1 122 122 LYS N N 122 127.472 127.472 120.677 6.795 25150 5969 1 9 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.524 -0.662 25150 5970 1 9 . 1 1 122 122 LYS C C 122 174.440 174.440 175.354 -0.914 25150 5971 1 9 . 1 1 122 122 LYS CA C 122 58.280 58.280 55.880 2.400 25150 5972 1 9 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.321 -0.911 25150 5973 1 9 . 1 1 122 122 LYS H H 122 8.890 8.890 8.246 0.644 25150 5974 1 9 . 1 1 123 123 ARG N N 123 123.268 123.268 122.894 0.374 25150 5975 1 9 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.515 -0.245 25150 5976 1 9 . 1 1 123 123 ARG C C 123 172.653 172.653 175.150 -2.497 25150 5977 1 9 . 1 1 123 123 ARG CA C 123 54.580 54.580 54.653 -0.073 25150 5978 1 9 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.206 1.024 25150 5979 1 9 . 1 1 123 123 ARG H H 123 6.841 6.841 8.580 -1.739 25150 5980 1 9 . 1 1 124 124 ARG N N 124 116.787 116.787 122.990 -6.203 25150 5981 1 9 . 1 1 124 124 ARG CA C 124 54.710 54.710 55.195 -0.485 25150 5982 1 9 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.390 -1.310 25150 5983 1 9 . 1 1 124 124 ARG H H 124 8.044 8.044 8.394 -0.350 25150 5984 1 9 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.504 0.296 25150 5985 1 9 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.958 -0.178 25150 5986 1 9 . 1 1 127 127 ASP N N 127 115.165 115.165 118.295 -3.130 25150 5987 1 9 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.693 0.431 25150 5988 1 9 . 1 1 127 127 ASP C C 127 172.871 172.871 176.012 -3.141 25150 5989 1 9 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.309 -0.639 25150 5990 1 9 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.657 -1.517 25150 5991 1 9 . 1 1 127 127 ASP H H 127 8.711 8.711 8.020 0.692 25150 5992 1 9 . 1 1 128 128 ASN N N 128 127.858 127.858 124.383 3.475 25150 5993 1 9 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.031 1.449 25150 5994 1 9 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.438 0.123 25150 5995 1 9 . 1 1 128 128 ASN H H 128 8.502 8.502 8.932 -0.430 25150 5996 1 9 . 1 1 129 129 SER C C 129 176.346 176.346 176.140 0.206 25150 5997 1 9 . 1 1 129 129 SER CA C 129 62.330 62.330 61.150 1.180 25150 5998 1 9 . 1 1 130 130 PHE N N 130 121.897 121.897 124.968 -3.071 25150 5999 1 9 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.195 -0.075 25150 6000 1 9 . 1 1 130 130 PHE C C 130 177.740 177.740 177.021 0.719 25150 6001 1 9 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.860 -0.900 25150 6002 1 9 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.039 0.721 25150 6003 1 9 . 1 1 130 130 PHE H H 130 8.022 8.022 8.462 -0.440 25150 6004 1 9 . 1 1 131 131 TYR N N 131 122.173 122.173 121.045 1.128 25150 6005 1 9 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.044 -0.298 25150 6006 1 9 . 1 1 131 131 TYR C C 131 178.140 178.140 177.310 0.830 25150 6007 1 9 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.474 0.816 25150 6008 1 9 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.381 1.159 25150 6009 1 9 . 1 1 131 131 TYR H H 131 8.871 8.871 7.941 0.930 25150 6010 1 9 . 1 1 132 132 VAL N N 132 116.993 116.993 117.324 -0.331 25150 6011 1 9 . 1 1 132 132 VAL C C 132 178.082 178.082 178.546 -0.464 25150 6012 1 9 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.990 0.340 25150 6013 1 9 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.486 -0.036 25150 6014 1 9 . 1 1 132 132 VAL H H 132 8.551 8.551 7.876 0.675 25150 6015 1 9 . 1 1 133 133 ARG N N 133 118.860 118.860 119.565 -0.705 25150 6016 1 9 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.907 0.072 25150 6017 1 9 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.370 -0.120 25150 6018 1 9 . 1 1 133 133 ARG H H 133 7.545 7.545 8.225 -0.680 25150 6019 1 9 . 1 1 134 134 THR CA C 134 62.280 62.280 60.321 1.960 25150 6020 1 9 . 1 1 134 134 THR CB C 134 69.790 69.790 68.153 1.637 25150 6021 1 9 . 1 1 135 135 CYS N N 135 125.959 125.959 122.871 3.088 25150 6022 1 9 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.019 -0.259 25150 6023 1 9 . 1 1 135 135 CYS CB C 135 39.010 39.010 28.395 10.615 25150 6024 1 9 . 1 1 135 135 CYS H H 135 7.881 7.881 7.298 0.583 25150 6025 1 9 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.700 -0.690 25150 6026 1 9 . 1 1 136 136 ASN C C 136 177.768 177.768 175.331 2.437 25150 6027 1 9 . 1 1 136 136 ASN CA C 136 54.160 54.160 53.014 1.146 25150 6028 1 9 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.228 0.242 25150 6029 1 9 . 1 1 137 137 LYS N N 137 119.224 119.224 123.592 -4.368 25150 6030 1 9 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.364 -0.168 25150 6031 1 9 . 1 1 137 137 LYS C C 137 176.185 176.185 176.435 -0.250 25150 6032 1 9 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.990 0.990 25150 6033 1 9 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.352 0.518 25150 6034 1 9 . 1 1 137 137 LYS H H 137 7.678 7.678 8.432 -0.754 25150 6035 1 9 . 1 1 138 138 ASN N N 138 117.174 117.174 120.224 -3.050 25150 6036 1 9 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.581 -0.051 25150 6037 1 9 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.509 0.431 25150 6038 1 9 . 1 1 138 138 ASN H H 138 7.969 7.969 8.323 -0.354 25150 6039 1 9 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.617 -0.219 25150 6040 1 9 . 1 1 139 139 PRO C C 139 177.335 177.335 175.516 1.819 25150 6041 1 9 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.949 0.901 25150 6042 1 9 . 1 1 139 139 PRO CB C 139 32.110 32.110 33.098 -0.988 25150 6043 1 9 . 1 1 140 140 LYS N N 140 118.218 118.218 122.374 -4.156 25150 6044 1 9 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.323 28.327 25150 6045 1 9 . 1 1 140 140 LYS C C 140 176.564 176.564 175.598 0.966 25150 6046 1 9 . 1 1 140 140 LYS CA C 140 56.990 56.990 55.183 1.807 25150 6047 1 9 . 1 1 140 140 LYS H H 140 8.108 8.108 8.262 -0.154 25150 6048 1 9 . 1 1 141 141 LYS N N 141 119.276 119.276 123.925 -4.649 25150 6049 1 9 . 1 1 141 141 LYS C C 141 177.924 177.924 175.814 2.110 25150 6050 1 9 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.435 0.665 25150 6051 1 9 . 1 1 141 141 LYS CB C 141 29.780 29.780 33.155 -3.375 25150 6052 1 9 . 1 1 141 141 LYS H H 141 8.135 8.135 8.156 -0.021 25150 6053 1 9 . 1 1 142 142 THR N N 142 115.380 115.380 113.268 2.112 25150 6054 1 9 . 1 1 142 142 THR CA C 142 61.850 61.850 59.571 2.279 25150 6055 1 9 . 1 1 142 142 THR CB C 142 69.660 69.660 70.788 -1.128 25150 6056 1 9 . 1 1 142 142 THR H H 142 8.030 8.030 6.506 1.524 25150 6057 1 9 . 1 1 143 143 LYS C C 143 178.955 178.955 176.283 2.672 25150 6058 1 9 . 1 1 144 144 TRP N N 144 120.470 120.470 116.972 3.498 25150 6059 1 9 . 1 1 144 144 TRP C C 144 176.557 176.557 176.524 0.033 25150 6060 1 9 . 1 1 144 144 TRP CA C 144 57.870 57.870 55.479 2.391 25150 6061 1 9 . 1 1 144 144 TRP CB C 144 33.000 33.000 30.168 2.832 25150 6062 1 9 . 1 1 144 144 TRP H H 144 8.094 8.094 7.377 0.717 25150 6063 1 9 . 1 1 145 145 TRP N N 145 120.330 120.330 122.337 -2.007 25150 6064 1 9 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.957 1.163 25150 6065 1 9 . 1 1 145 145 TRP CB C 145 32.850 32.850 26.539 6.311 25150 6066 1 9 . 1 1 145 145 TRP H H 145 8.488 8.488 7.913 0.575 25150 6067 1 9 . 1 1 146 146 TYR C C 146 174.706 174.706 175.472 -0.766 25150 6068 1 9 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.509 -0.079 25150 6069 1 9 . 1 1 146 146 TYR CB C 146 38.740 38.740 36.527 2.213 25150 6070 1 9 . 1 1 147 147 HIS N N 147 121.604 121.604 121.370 0.234 25150 6071 1 9 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.642 -0.456 25150 6072 1 9 . 1 1 147 147 HIS C C 147 176.874 176.874 175.733 1.141 25150 6073 1 9 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.036 0.204 25150 6074 1 9 . 1 1 147 147 HIS CB C 147 31.200 31.200 31.140 0.060 25150 6075 1 9 . 1 1 147 147 HIS H H 147 7.886 7.886 7.672 0.214 25150 6076 1 9 . 1 1 148 148 ASP N N 148 122.629 122.629 122.345 0.284 25150 6077 1 9 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.649 -0.105 25150 6078 1 9 . 1 1 148 148 ASP C C 148 175.661 175.661 176.584 -0.923 25150 6079 1 9 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.384 0.796 25150 6080 1 9 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.283 1.397 25150 6081 1 9 . 1 1 148 148 ASP H H 148 8.109 8.109 8.809 -0.700 25150 6082 1 9 . 1 1 149 149 ASP N N 149 121.321 121.321 126.339 -5.018 25150 6083 1 9 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.680 -0.026 25150 6084 1 9 . 1 1 149 149 ASP C C 149 176.551 176.551 177.318 -0.767 25150 6085 1 9 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.414 -0.804 25150 6086 1 9 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.047 0.312 25150 6087 1 9 . 1 1 149 149 ASP H H 149 8.395 8.395 8.302 0.093 25150 6088 1 9 . 1 1 150 150 THR N N 150 113.450 113.450 111.861 1.589 25150 6089 1 9 . 1 1 150 150 THR HA H 150 4.296 4.296 4.397 -0.101 25150 6090 1 9 . 1 1 150 150 THR C C 150 173.994 173.994 175.236 -1.242 25150 6091 1 9 . 1 1 150 150 THR CA C 150 62.310 62.310 62.206 0.104 25150 6092 1 9 . 1 1 150 150 THR CB C 150 69.870 69.870 69.581 0.289 25150 6093 1 9 . 1 1 150 150 THR H H 150 8.259 8.259 8.548 -0.289 25150 6094 1 10 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.259 0.035 25150 6095 1 10 . 1 1 6 6 LYS C C 6 176.970 176.970 178.990 -2.020 25150 6096 1 10 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.590 -1.220 25150 6097 1 10 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.260 0.220 25150 6098 1 10 . 1 1 7 7 ARG N N 7 119.704 119.704 120.310 -0.606 25150 6099 1 10 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.026 0.172 25150 6100 1 10 . 1 1 7 7 ARG C C 7 178.270 178.270 178.593 -0.323 25150 6101 1 10 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.399 -0.369 25150 6102 1 10 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.118 -1.558 25150 6103 1 10 . 1 1 7 7 ARG H H 7 8.599 8.599 8.005 0.594 25150 6104 1 10 . 1 1 8 8 LEU N N 8 119.704 119.704 118.937 0.767 25150 6105 1 10 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.910 0.180 25150 6106 1 10 . 1 1 8 8 LEU C C 8 178.980 178.980 179.161 -0.181 25150 6107 1 10 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.851 0.439 25150 6108 1 10 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.753 0.307 25150 6109 1 10 . 1 1 8 8 LEU H H 8 8.599 8.599 7.945 0.654 25150 6110 1 10 . 1 1 9 9 GLN N N 9 117.512 117.512 119.055 -1.543 25150 6111 1 10 . 1 1 9 9 GLN HA H 9 4.037 4.037 4.095 -0.058 25150 6112 1 10 . 1 1 9 9 GLN C C 9 178.610 178.610 178.588 0.022 25150 6113 1 10 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.519 -0.209 25150 6114 1 10 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.525 -0.045 25150 6115 1 10 . 1 1 9 9 GLN H H 9 8.066 8.066 8.560 -0.494 25150 6116 1 10 . 1 1 10 10 LYS N N 10 119.556 119.556 120.019 -0.463 25150 6117 1 10 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.981 0.099 25150 6118 1 10 . 1 1 10 10 LYS C C 10 180.040 180.040 179.086 0.954 25150 6119 1 10 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.721 -0.041 25150 6120 1 10 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.246 0.214 25150 6121 1 10 . 1 1 10 10 LYS H H 10 7.678 7.678 8.105 -0.427 25150 6122 1 10 . 1 1 11 11 GLU N N 11 120.347 120.347 120.177 0.170 25150 6123 1 10 . 1 1 11 11 GLU HA H 11 4.176 4.176 3.939 0.237 25150 6124 1 10 . 1 1 11 11 GLU C C 11 178.770 178.770 178.919 -0.149 25150 6125 1 10 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.216 1.824 25150 6126 1 10 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.425 1.235 25150 6127 1 10 . 1 1 11 11 GLU H H 11 8.533 8.533 8.138 0.395 25150 6128 1 10 . 1 1 12 12 LEU N N 12 123.285 123.285 121.784 1.501 25150 6129 1 10 . 1 1 12 12 LEU C C 12 178.570 178.570 178.031 0.539 25150 6130 1 10 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.876 0.244 25150 6131 1 10 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.807 -0.727 25150 6132 1 10 . 1 1 12 12 LEU H H 12 8.685 8.685 8.065 0.620 25150 6133 1 10 . 1 1 13 13 LEU N N 13 118.881 118.881 118.752 0.129 25150 6134 1 10 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.138 -0.141 25150 6135 1 10 . 1 1 13 13 LEU C C 13 179.260 179.260 179.115 0.145 25150 6136 1 10 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.872 0.028 25150 6137 1 10 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.314 0.576 25150 6138 1 10 . 1 1 13 13 LEU H H 13 7.588 7.588 8.183 -0.595 25150 6139 1 10 . 1 1 14 14 ALA N N 14 120.667 120.667 121.962 -1.295 25150 6140 1 10 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.983 0.207 25150 6141 1 10 . 1 1 14 14 ALA C C 14 176.270 176.270 179.451 -3.181 25150 6142 1 10 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.003 0.187 25150 6143 1 10 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.102 -0.071 25150 6144 1 10 . 1 1 14 14 ALA H H 14 7.617 7.617 8.144 -0.527 25150 6145 1 10 . 1 1 15 15 LEU N N 15 119.965 119.965 120.810 -0.845 25150 6146 1 10 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.533 -0.083 25150 6147 1 10 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.867 0.393 25150 6148 1 10 . 1 1 15 15 LEU H H 15 7.726 7.726 7.930 -0.204 25150 6149 1 10 . 1 1 16 16 GLN N N 16 115.381 115.381 116.991 -1.610 25150 6150 1 10 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.971 0.007 25150 6151 1 10 . 1 1 16 16 GLN C C 16 177.950 177.950 178.178 -0.228 25150 6152 1 10 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.336 0.124 25150 6153 1 10 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.878 0.912 25150 6154 1 10 . 1 1 16 16 GLN H H 16 8.028 8.028 8.252 -0.224 25150 6155 1 10 . 1 1 17 17 ASN N N 17 114.975 114.975 116.476 -1.501 25150 6156 1 10 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.601 0.029 25150 6157 1 10 . 1 1 17 17 ASN C C 17 175.303 175.303 175.406 -0.103 25150 6158 1 10 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.061 -0.181 25150 6159 1 10 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.279 0.571 25150 6160 1 10 . 1 1 17 17 ASN H H 17 8.136 8.136 7.813 0.323 25150 6161 1 10 . 1 1 18 18 ASP N N 18 119.698 119.698 118.026 1.672 25150 6162 1 10 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.444 1.016 25150 6163 1 10 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.448 -0.938 25150 6164 1 10 . 1 1 18 18 ASP H H 18 8.218 8.218 8.209 0.009 25150 6165 1 10 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.244 0.071 25150 6166 1 10 . 1 1 21 21 PRO C C 21 177.867 177.867 177.491 0.376 25150 6167 1 10 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.188 -0.368 25150 6168 1 10 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.529 0.041 25150 6169 1 10 . 1 1 22 22 GLY N N 22 111.293 111.293 112.978 -1.685 25150 6170 1 10 . 1 1 22 22 GLY C C 22 174.342 174.342 173.532 0.810 25150 6171 1 10 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.194 0.796 25150 6172 1 10 . 1 1 22 22 GLY H H 22 8.506 8.506 8.520 -0.014 25150 6173 1 10 . 1 1 23 23 MET N N 23 118.966 118.966 119.818 -0.852 25150 6174 1 10 . 1 1 23 23 MET HA H 23 5.699 5.699 5.598 0.101 25150 6175 1 10 . 1 1 23 23 MET C C 23 175.386 175.386 174.526 0.860 25150 6176 1 10 . 1 1 23 23 MET CA C 23 55.270 55.270 53.444 1.826 25150 6177 1 10 . 1 1 23 23 MET CB C 23 35.890 35.890 35.979 -0.089 25150 6178 1 10 . 1 1 23 23 MET H H 23 8.017 8.017 7.762 0.255 25150 6179 1 10 . 1 1 24 24 THR N N 24 112.647 112.647 118.870 -6.223 25150 6180 1 10 . 1 1 24 24 THR HA H 24 4.596 4.596 4.694 -0.098 25150 6181 1 10 . 1 1 24 24 THR C C 24 173.407 173.407 172.340 1.067 25150 6182 1 10 . 1 1 24 24 THR CA C 24 60.850 60.850 60.456 0.394 25150 6183 1 10 . 1 1 24 24 THR CB C 24 72.360 72.360 71.397 0.963 25150 6184 1 10 . 1 1 24 24 THR H H 24 8.565 8.565 8.995 -0.430 25150 6185 1 10 . 1 1 25 25 LEU N N 25 126.920 126.920 122.797 4.123 25150 6186 1 10 . 1 1 25 25 LEU HA H 25 4.296 4.296 5.390 -1.094 25150 6187 1 10 . 1 1 25 25 LEU C C 25 175.624 175.624 174.704 0.920 25150 6188 1 10 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.963 2.207 25150 6189 1 10 . 1 1 25 25 LEU CB C 25 42.710 42.710 45.499 -2.789 25150 6190 1 10 . 1 1 25 25 LEU H H 25 9.189 9.189 8.423 0.766 25150 6191 1 10 . 1 1 26 26 ASN N N 26 127.108 127.108 123.384 3.724 25150 6192 1 10 . 1 1 26 26 ASN C C 26 173.783 173.783 173.012 0.771 25150 6193 1 10 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.527 1.573 25150 6194 1 10 . 1 1 26 26 ASN CB C 26 40.370 40.370 41.239 -0.869 25150 6195 1 10 . 1 1 26 26 ASN H H 26 9.000 9.000 8.958 0.042 25150 6196 1 10 . 1 1 27 27 GLU N N 27 108.990 108.990 118.382 -9.392 25150 6197 1 10 . 1 1 27 27 GLU CA C 27 56.610 56.610 54.952 1.658 25150 6198 1 10 . 1 1 27 27 GLU H H 27 7.631 7.631 8.451 -0.820 25150 6199 1 10 . 1 1 30 30 VAL C C 30 177.011 177.011 175.383 1.628 25150 6200 1 10 . 1 1 30 30 VAL CA C 30 55.230 55.230 62.109 -6.879 25150 6201 1 10 . 1 1 30 30 VAL CB C 30 30.860 30.860 32.086 -1.226 25150 6202 1 10 . 1 1 31 31 GLN N N 31 125.960 125.960 120.766 5.194 25150 6203 1 10 . 1 1 31 31 GLN CA C 31 58.430 58.430 55.114 3.316 25150 6204 1 10 . 1 1 31 31 GLN CB C 31 29.130 29.130 30.229 -1.099 25150 6205 1 10 . 1 1 31 31 GLN H H 31 7.880 7.880 7.548 0.332 25150 6206 1 10 . 1 1 34 34 ILE HA H 34 4.660 4.660 3.634 1.026 25150 6207 1 10 . 1 1 34 34 ILE C C 34 178.642 178.642 175.704 2.938 25150 6208 1 10 . 1 1 34 34 ILE CA C 34 54.970 54.970 62.027 -7.057 25150 6209 1 10 . 1 1 34 34 ILE CB C 34 42.000 42.000 37.129 4.871 25150 6210 1 10 . 1 1 35 35 THR N N 35 110.980 110.980 110.425 0.555 25150 6211 1 10 . 1 1 35 35 THR CA C 35 61.070 61.070 63.596 -2.526 25150 6212 1 10 . 1 1 35 35 THR CB C 35 69.090 69.090 69.110 -0.020 25150 6213 1 10 . 1 1 35 35 THR H H 35 7.825 7.825 7.471 0.354 25150 6214 1 10 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.869 0.755 25150 6215 1 10 . 1 1 36 36 GLN C C 36 174.178 174.178 174.484 -0.306 25150 6216 1 10 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.698 0.392 25150 6217 1 10 . 1 1 36 36 GLN CB C 36 32.290 32.290 27.688 4.602 25150 6218 1 10 . 1 1 37 37 TRP N N 37 123.942 123.942 124.776 -0.834 25150 6219 1 10 . 1 1 37 37 TRP HA H 37 5.576 5.576 4.849 0.727 25150 6220 1 10 . 1 1 37 37 TRP C C 37 174.959 174.959 175.945 -0.986 25150 6221 1 10 . 1 1 37 37 TRP CA C 37 53.630 53.630 56.544 -2.913 25150 6222 1 10 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.820 1.130 25150 6223 1 10 . 1 1 37 37 TRP H H 37 9.242 9.242 9.108 0.134 25150 6224 1 10 . 1 1 38 38 ILE N N 38 121.559 121.559 122.657 -1.098 25150 6225 1 10 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.889 0.390 25150 6226 1 10 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.717 -1.287 25150 6227 1 10 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.335 -0.095 25150 6228 1 10 . 1 1 38 38 ILE H H 38 8.778 8.778 9.406 -0.628 25150 6229 1 10 . 1 1 39 39 VAL N N 39 128.719 128.719 129.071 -0.352 25150 6230 1 10 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.858 -0.277 25150 6231 1 10 . 1 1 39 39 VAL C C 39 175.175 175.175 174.852 0.323 25150 6232 1 10 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.627 0.623 25150 6233 1 10 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.103 1.747 25150 6234 1 10 . 1 1 39 39 VAL H H 39 9.533 9.533 8.944 0.589 25150 6235 1 10 . 1 1 40 40 ASP N N 40 128.451 128.451 128.932 -0.481 25150 6236 1 10 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.347 -0.129 25150 6237 1 10 . 1 1 40 40 ASP C C 40 175.157 175.157 175.046 0.111 25150 6238 1 10 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.212 2.098 25150 6239 1 10 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.136 -0.636 25150 6240 1 10 . 1 1 40 40 ASP H H 40 9.165 9.165 8.470 0.695 25150 6241 1 10 . 1 1 41 41 MET N N 41 120.544 120.544 121.483 -0.939 25150 6242 1 10 . 1 1 41 41 MET HA H 41 5.467 5.467 5.383 0.084 25150 6243 1 10 . 1 1 41 41 MET C C 41 173.590 173.590 173.954 -0.364 25150 6244 1 10 . 1 1 41 41 MET CA C 41 54.610 54.610 53.866 0.744 25150 6245 1 10 . 1 1 41 41 MET CB C 41 37.490 37.490 38.026 -0.536 25150 6246 1 10 . 1 1 41 41 MET H H 41 8.756 8.756 8.829 -0.073 25150 6247 1 10 . 1 1 42 42 GLU N N 42 125.740 125.740 121.440 4.300 25150 6248 1 10 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.222 -0.212 25150 6249 1 10 . 1 1 42 42 GLU C C 42 177.323 177.323 176.921 0.402 25150 6250 1 10 . 1 1 42 42 GLU CA C 42 54.480 54.480 53.758 0.722 25150 6251 1 10 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.998 -1.738 25150 6252 1 10 . 1 1 42 42 GLU H H 42 8.706 8.706 8.102 0.604 25150 6253 1 10 . 1 1 43 43 GLY N N 43 111.314 111.314 112.519 -1.205 25150 6254 1 10 . 1 1 43 43 GLY C C 43 174.121 174.121 174.120 0.001 25150 6255 1 10 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.578 -0.188 25150 6256 1 10 . 1 1 43 43 GLY H H 43 8.917 8.917 8.781 0.136 25150 6257 1 10 . 1 1 44 44 ALA N N 44 128.665 128.665 129.543 -0.878 25150 6258 1 10 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.500 0.560 25150 6259 1 10 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.925 -0.456 25150 6260 1 10 . 1 1 44 44 ALA H H 44 8.918 8.918 8.518 0.400 25150 6261 1 10 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.114 0.186 25150 6262 1 10 . 1 1 45 45 PRO C C 45 177.598 177.598 177.453 0.145 25150 6263 1 10 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.608 -1.198 25150 6264 1 10 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.195 0.595 25150 6265 1 10 . 1 1 46 46 GLY N N 46 111.319 111.319 113.275 -1.956 25150 6266 1 10 . 1 1 46 46 GLY C C 46 174.290 174.290 174.722 -0.432 25150 6267 1 10 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.206 0.704 25150 6268 1 10 . 1 1 46 46 GLY H H 46 9.449 9.449 9.307 0.142 25150 6269 1 10 . 1 1 47 47 THR N N 47 107.981 107.981 111.956 -3.975 25150 6270 1 10 . 1 1 47 47 THR HA H 47 4.801 4.801 4.618 0.183 25150 6271 1 10 . 1 1 47 47 THR C C 47 176.158 176.158 176.091 0.067 25150 6272 1 10 . 1 1 47 47 THR CA C 47 60.380 60.380 59.896 0.484 25150 6273 1 10 . 1 1 47 47 THR CB C 47 73.420 73.420 71.288 2.132 25150 6274 1 10 . 1 1 47 47 THR H H 47 7.426 7.426 7.536 -0.110 25150 6275 1 10 . 1 1 48 48 LEU N N 48 119.132 119.132 120.775 -1.643 25150 6276 1 10 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.085 -0.028 25150 6277 1 10 . 1 1 48 48 LEU C C 48 175.907 175.907 177.056 -1.149 25150 6278 1 10 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.930 -0.440 25150 6279 1 10 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.688 -0.068 25150 6280 1 10 . 1 1 48 48 LEU H H 48 8.966 8.966 8.925 0.041 25150 6281 1 10 . 1 1 49 49 TYR N N 49 113.649 113.649 115.407 -1.758 25150 6282 1 10 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.799 0.026 25150 6283 1 10 . 1 1 49 49 TYR C C 49 174.634 174.634 174.977 -0.343 25150 6284 1 10 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.076 0.034 25150 6285 1 10 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.419 -0.029 25150 6286 1 10 . 1 1 49 49 TYR H H 49 7.205 7.205 7.670 -0.465 25150 6287 1 10 . 1 1 50 50 GLU N N 50 122.006 122.006 121.741 0.265 25150 6288 1 10 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.008 -0.531 25150 6289 1 10 . 1 1 50 50 GLU C C 50 177.182 177.182 177.817 -0.635 25150 6290 1 10 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.192 -0.092 25150 6291 1 10 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.257 0.783 25150 6292 1 10 . 1 1 50 50 GLU H H 50 6.934 6.934 7.576 -0.642 25150 6293 1 10 . 1 1 51 51 GLY N N 51 115.165 115.165 115.977 -0.812 25150 6294 1 10 . 1 1 51 51 GLY C C 51 173.997 173.997 174.571 -0.574 25150 6295 1 10 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.992 0.508 25150 6296 1 10 . 1 1 51 51 GLY H H 51 8.752 8.752 8.772 -0.020 25150 6297 1 10 . 1 1 52 52 GLU N N 52 120.251 120.251 122.389 -2.138 25150 6298 1 10 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.461 -0.491 25150 6299 1 10 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.491 -0.051 25150 6300 1 10 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.677 2.023 25150 6301 1 10 . 1 1 52 52 GLU H H 52 7.900 7.900 8.273 -0.373 25150 6302 1 10 . 1 1 53 53 LYS N N 53 120.435 120.435 122.843 -2.408 25150 6303 1 10 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.456 -0.770 25150 6304 1 10 . 1 1 53 53 LYS C C 53 175.285 175.285 176.181 -0.896 25150 6305 1 10 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.043 0.337 25150 6306 1 10 . 1 1 53 53 LYS CB C 53 34.060 34.060 35.221 -1.161 25150 6307 1 10 . 1 1 53 53 LYS H H 53 8.046 8.046 8.559 -0.513 25150 6308 1 10 . 1 1 54 54 PHE N N 54 122.724 122.724 118.960 3.764 25150 6309 1 10 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.973 0.547 25150 6310 1 10 . 1 1 54 54 PHE C C 54 175.151 175.151 172.829 2.322 25150 6311 1 10 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.611 -1.921 25150 6312 1 10 . 1 1 54 54 PHE CB C 54 43.600 43.600 41.574 2.026 25150 6313 1 10 . 1 1 54 54 PHE H H 54 9.082 9.082 8.754 0.328 25150 6314 1 10 . 1 1 55 55 GLN N N 55 121.971 121.971 120.920 1.051 25150 6315 1 10 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.580 -0.229 25150 6316 1 10 . 1 1 55 55 GLN C C 55 173.802 173.802 174.570 -0.768 25150 6317 1 10 . 1 1 55 55 GLN CA C 55 56.200 56.200 53.786 2.414 25150 6318 1 10 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.629 1.691 25150 6319 1 10 . 1 1 55 55 GLN H H 55 10.001 10.001 8.788 1.213 25150 6320 1 10 . 1 1 56 56 LEU N N 56 124.898 124.898 124.432 0.466 25150 6321 1 10 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.097 -0.405 25150 6322 1 10 . 1 1 56 56 LEU C C 56 174.265 174.265 175.105 -0.840 25150 6323 1 10 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.422 -0.002 25150 6324 1 10 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.563 1.127 25150 6325 1 10 . 1 1 56 56 LEU H H 56 9.573 9.573 9.117 0.456 25150 6326 1 10 . 1 1 57 57 LEU N N 57 124.234 124.234 122.618 1.616 25150 6327 1 10 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.286 -0.116 25150 6328 1 10 . 1 1 57 57 LEU C C 57 174.551 174.551 174.618 -0.067 25150 6329 1 10 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.287 0.383 25150 6330 1 10 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.159 0.361 25150 6331 1 10 . 1 1 57 57 LEU H H 57 8.890 8.890 8.937 -0.047 25150 6332 1 10 . 1 1 58 58 PHE N N 58 124.003 124.003 127.475 -3.472 25150 6333 1 10 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.385 -0.635 25150 6334 1 10 . 1 1 58 58 PHE C C 58 174.407 174.407 175.350 -0.943 25150 6335 1 10 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.057 -0.057 25150 6336 1 10 . 1 1 58 58 PHE CB C 58 42.940 42.940 42.173 0.767 25150 6337 1 10 . 1 1 58 58 PHE H H 58 9.134 9.134 9.063 0.071 25150 6338 1 10 . 1 1 59 59 LYS N N 59 120.089 120.089 123.605 -3.516 25150 6339 1 10 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.057 -0.174 25150 6340 1 10 . 1 1 59 59 LYS C C 59 175.192 175.192 175.513 -0.321 25150 6341 1 10 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.050 -0.230 25150 6342 1 10 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.815 1.715 25150 6343 1 10 . 1 1 59 59 LYS H H 59 8.732 8.732 8.621 0.111 25150 6344 1 10 . 1 1 60 60 PHE N N 60 123.988 123.988 124.830 -0.842 25150 6345 1 10 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.529 -0.225 25150 6346 1 10 . 1 1 60 60 PHE C C 60 174.636 174.636 175.063 -0.427 25150 6347 1 10 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.970 -0.720 25150 6348 1 10 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.099 1.061 25150 6349 1 10 . 1 1 60 60 PHE H H 60 8.649 8.649 8.603 0.046 25150 6350 1 10 . 1 1 61 61 SER N N 61 117.599 117.599 118.675 -1.076 25150 6351 1 10 . 1 1 61 61 SER C C 61 174.771 174.771 174.645 0.126 25150 6352 1 10 . 1 1 61 61 SER CA C 61 57.130 57.130 57.550 -0.420 25150 6353 1 10 . 1 1 61 61 SER CB C 61 66.030 66.030 64.586 1.444 25150 6354 1 10 . 1 1 61 61 SER H H 61 8.066 8.066 8.359 -0.293 25150 6355 1 10 . 1 1 62 62 SER N N 62 119.994 119.994 115.474 4.520 25150 6356 1 10 . 1 1 62 62 SER CA C 62 61.650 61.650 60.543 1.107 25150 6357 1 10 . 1 1 62 62 SER H H 62 8.265 8.265 8.704 -0.439 25150 6358 1 10 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.384 0.066 25150 6359 1 10 . 1 1 63 63 ARG C C 63 175.086 175.086 177.606 -2.520 25150 6360 1 10 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.164 0.506 25150 6361 1 10 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.515 -0.465 25150 6362 1 10 . 1 1 64 64 TYR N N 64 120.957 120.957 124.511 -3.554 25150 6363 1 10 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.337 1.343 25150 6364 1 10 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.275 -0.555 25150 6365 1 10 . 1 1 64 64 TYR H H 64 7.471 7.471 8.120 -0.649 25150 6366 1 10 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.804 -0.134 25150 6367 1 10 . 1 1 65 65 PRO C C 65 174.345 174.345 174.854 -0.509 25150 6368 1 10 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.472 0.988 25150 6369 1 10 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.994 2.376 25150 6370 1 10 . 1 1 66 66 PHE N N 66 126.070 126.070 119.801 6.269 25150 6371 1 10 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.970 -0.727 25150 6372 1 10 . 1 1 66 66 PHE C C 66 175.867 175.867 174.619 1.248 25150 6373 1 10 . 1 1 66 66 PHE CA C 66 61.080 61.080 57.724 3.356 25150 6374 1 10 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.327 -1.317 25150 6375 1 10 . 1 1 66 66 PHE H H 66 8.630 8.630 8.001 0.629 25150 6376 1 10 . 1 1 67 67 ASP N N 67 118.021 118.021 118.849 -0.828 25150 6377 1 10 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.269 -0.310 25150 6378 1 10 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.317 -47.687 25150 6379 1 10 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.865 -8.025 25150 6380 1 10 . 1 1 67 67 ASP H H 67 7.126 7.126 7.787 -0.661 25150 6381 1 10 . 1 1 68 68 SER N N 68 120.730 120.730 115.855 4.875 25150 6382 1 10 . 1 1 68 68 SER CA C 68 55.750 55.750 54.925 0.825 25150 6383 1 10 . 1 1 68 68 SER CB C 68 61.900 61.900 63.351 -1.451 25150 6384 1 10 . 1 1 68 68 SER H H 68 8.091 8.091 8.039 0.052 25150 6385 1 10 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.437 -0.081 25150 6386 1 10 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.465 -0.385 25150 6387 1 10 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.274 0.436 25150 6388 1 10 . 1 1 70 70 GLN N N 70 119.493 119.493 118.815 0.678 25150 6389 1 10 . 1 1 70 70 GLN CA C 70 55.070 55.070 54.526 0.544 25150 6390 1 10 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.892 0.598 25150 6391 1 10 . 1 1 70 70 GLN H H 70 8.049 8.049 8.193 -0.144 25150 6392 1 10 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.289 0.111 25150 6393 1 10 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.868 -1.058 25150 6394 1 10 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.779 0.061 25150 6395 1 10 . 1 1 72 72 MET N N 72 120.767 120.767 121.885 -1.118 25150 6396 1 10 . 1 1 72 72 MET HA H 72 4.731 4.731 5.116 -0.385 25150 6397 1 10 . 1 1 72 72 MET C C 72 174.779 174.779 173.969 0.810 25150 6398 1 10 . 1 1 72 72 MET CA C 72 54.390 54.390 54.158 0.232 25150 6399 1 10 . 1 1 72 72 MET CB C 72 36.140 36.140 37.009 -0.869 25150 6400 1 10 . 1 1 72 72 MET H H 72 8.245 8.245 8.313 -0.068 25150 6401 1 10 . 1 1 73 73 PHE N N 73 120.458 120.458 118.994 1.464 25150 6402 1 10 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.045 0.169 25150 6403 1 10 . 1 1 73 73 PHE C C 73 175.404 175.404 176.518 -1.114 25150 6404 1 10 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.169 1.411 25150 6405 1 10 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.178 0.442 25150 6406 1 10 . 1 1 73 73 PHE H H 73 9.193 9.193 8.943 0.250 25150 6407 1 10 . 1 1 74 74 THR N N 74 113.842 113.842 119.231 -5.389 25150 6408 1 10 . 1 1 74 74 THR HA H 74 4.777 4.777 4.663 0.114 25150 6409 1 10 . 1 1 74 74 THR C C 74 173.551 173.551 173.957 -0.406 25150 6410 1 10 . 1 1 74 74 THR CA C 74 59.580 59.580 62.254 -2.674 25150 6411 1 10 . 1 1 74 74 THR CB C 74 71.300 71.300 70.111 1.189 25150 6412 1 10 . 1 1 74 74 THR H H 74 8.894 8.894 8.975 -0.081 25150 6413 1 10 . 1 1 75 75 GLY N N 75 109.259 109.259 113.450 -4.191 25150 6414 1 10 . 1 1 75 75 GLY C C 75 173.980 173.980 173.798 0.182 25150 6415 1 10 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.730 -0.020 25150 6416 1 10 . 1 1 75 75 GLY H H 75 8.058 8.058 7.972 0.086 25150 6417 1 10 . 1 1 76 76 GLU N N 76 116.661 116.661 120.009 -3.348 25150 6418 1 10 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.147 -0.006 25150 6419 1 10 . 1 1 76 76 GLU C C 76 176.624 176.624 176.966 -0.342 25150 6420 1 10 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.929 1.111 25150 6421 1 10 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.930 0.980 25150 6422 1 10 . 1 1 76 76 GLU H H 76 8.356 8.356 8.394 -0.038 25150 6423 1 10 . 1 1 77 77 ASN N N 77 118.469 118.469 119.010 -0.541 25150 6424 1 10 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.681 0.429 25150 6425 1 10 . 1 1 77 77 ASN C C 77 176.525 176.525 174.647 1.878 25150 6426 1 10 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.842 -0.602 25150 6427 1 10 . 1 1 77 77 ASN CB C 77 39.710 39.710 37.743 1.967 25150 6428 1 10 . 1 1 77 77 ASN H H 77 8.614 8.614 8.264 0.350 25150 6429 1 10 . 1 1 78 78 ILE N N 78 117.605 117.605 123.144 -5.539 25150 6430 1 10 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.634 2.756 25150 6431 1 10 . 1 1 78 78 ILE CB C 78 41.640 41.640 36.569 5.071 25150 6432 1 10 . 1 1 78 78 ILE H H 78 7.736 7.736 7.840 -0.104 25150 6433 1 10 . 1 1 79 79 PRO C C 79 176.134 176.134 175.582 0.552 25150 6434 1 10 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.939 0.891 25150 6435 1 10 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.793 -1.633 25150 6436 1 10 . 1 1 80 80 VAL N N 80 123.378 123.378 121.645 1.733 25150 6437 1 10 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.648 0.182 25150 6438 1 10 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.056 -2.135 25150 6439 1 10 . 1 1 80 80 VAL H H 80 8.297 8.297 8.345 -0.048 25150 6440 1 10 . 1 1 82 82 PRO C C 82 176.169 176.169 176.650 -0.481 25150 6441 1 10 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.700 0.010 25150 6442 1 10 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.691 -0.021 25150 6443 1 10 . 1 1 83 83 HIS N N 83 121.199 121.199 113.718 7.481 25150 6444 1 10 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.839 0.002 25150 6445 1 10 . 1 1 83 83 HIS C C 83 173.457 173.457 174.057 -0.600 25150 6446 1 10 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.555 -0.875 25150 6447 1 10 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.666 0.564 25150 6448 1 10 . 1 1 83 83 HIS H H 83 10.996 10.996 8.766 2.230 25150 6449 1 10 . 1 1 84 84 VAL N N 84 121.050 121.050 121.328 -0.278 25150 6450 1 10 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.830 -0.053 25150 6451 1 10 . 1 1 84 84 VAL C C 84 175.155 175.155 174.643 0.512 25150 6452 1 10 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.931 0.169 25150 6453 1 10 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.744 0.366 25150 6454 1 10 . 1 1 84 84 VAL H H 84 8.058 8.058 7.640 0.418 25150 6455 1 10 . 1 1 85 85 TYR N N 85 126.195 126.195 125.131 1.064 25150 6456 1 10 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.731 -0.046 25150 6457 1 10 . 1 1 85 85 TYR C C 85 179.268 179.268 177.443 1.825 25150 6458 1 10 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.424 1.966 25150 6459 1 10 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.285 0.985 25150 6460 1 10 . 1 1 85 85 TYR H H 85 9.136 9.136 8.939 0.197 25150 6461 1 10 . 1 1 86 86 SER N N 86 115.546 115.546 117.514 -1.968 25150 6462 1 10 . 1 1 86 86 SER HA H 86 3.935 3.935 4.128 -0.193 25150 6463 1 10 . 1 1 86 86 SER C C 86 174.309 174.309 174.443 -0.134 25150 6464 1 10 . 1 1 86 86 SER CA C 86 61.890 61.890 60.546 1.344 25150 6465 1 10 . 1 1 86 86 SER CB C 86 62.230 62.230 63.122 -0.892 25150 6466 1 10 . 1 1 86 86 SER H H 86 10.052 10.052 8.758 1.294 25150 6467 1 10 . 1 1 87 87 ASN N N 87 116.470 116.470 115.669 0.801 25150 6468 1 10 . 1 1 87 87 ASN C C 87 175.624 175.624 176.153 -0.529 25150 6469 1 10 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.362 -0.022 25150 6470 1 10 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.445 0.045 25150 6471 1 10 . 1 1 87 87 ASN H H 87 7.331 7.331 7.919 -0.588 25150 6472 1 10 . 1 1 88 88 GLY N N 88 108.412 108.412 107.758 0.654 25150 6473 1 10 . 1 1 88 88 GLY C C 88 174.247 174.247 174.462 -0.215 25150 6474 1 10 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.231 0.679 25150 6475 1 10 . 1 1 88 88 GLY H H 88 8.737 8.737 8.269 0.468 25150 6476 1 10 . 1 1 89 89 HIS N N 89 119.508 119.508 123.221 -3.713 25150 6477 1 10 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.693 -1.393 25150 6478 1 10 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.206 1.654 25150 6479 1 10 . 1 1 89 89 HIS H H 89 7.494 7.494 8.781 -1.287 25150 6480 1 10 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.580 -0.166 25150 6481 1 10 . 1 1 90 90 ILE C C 90 174.510 174.510 175.503 -0.993 25150 6482 1 10 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.541 -2.221 25150 6483 1 10 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.115 0.165 25150 6484 1 10 . 1 1 91 91 CYS N N 91 123.587 123.587 128.390 -4.803 25150 6485 1 10 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.790 5.790 25150 6486 1 10 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.220 7.170 25150 6487 1 10 . 1 1 91 91 CYS H H 91 7.304 7.304 8.764 -1.460 25150 6488 1 10 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.661 0.009 25150 6489 1 10 . 1 1 92 92 LEU C C 92 175.822 175.822 177.991 -2.169 25150 6490 1 10 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.190 6.271 25150 6491 1 10 . 1 1 92 92 LEU CB C 92 41.420 41.420 44.857 -3.437 25150 6492 1 10 . 1 1 93 93 SER N N 93 111.707 111.707 119.579 -7.872 25150 6493 1 10 . 1 1 93 93 SER HA H 93 4.331 4.331 4.293 0.038 25150 6494 1 10 . 1 1 93 93 SER C C 93 177.433 177.433 176.293 1.140 25150 6495 1 10 . 1 1 93 93 SER CA C 93 62.150 62.150 60.748 1.402 25150 6496 1 10 . 1 1 93 93 SER H H 93 9.037 9.037 8.821 0.216 25150 6497 1 10 . 1 1 94 94 ILE N N 94 118.993 118.993 115.633 3.360 25150 6498 1 10 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.107 169.431 25150 6499 1 10 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.272 1.038 25150 6500 1 10 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.272 0.628 25150 6501 1 10 . 1 1 94 94 ILE H H 94 7.859 7.859 8.086 -0.227 25150 6502 1 10 . 1 1 95 95 LEU N N 95 113.763 113.763 118.733 -4.970 25150 6503 1 10 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.666 -0.014 25150 6504 1 10 . 1 1 95 95 LEU C C 95 178.458 178.458 177.834 0.624 25150 6505 1 10 . 1 1 95 95 LEU CA C 95 55.330 55.330 56.192 -0.862 25150 6506 1 10 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.230 -0.150 25150 6507 1 10 . 1 1 95 95 LEU H H 95 7.351 7.351 7.820 -0.469 25150 6508 1 10 . 1 1 96 96 THR N N 96 109.929 109.929 113.036 -3.107 25150 6509 1 10 . 1 1 96 96 THR HA H 96 4.338 4.338 4.458 -0.120 25150 6510 1 10 . 1 1 96 96 THR C C 96 175.947 175.947 176.622 -0.675 25150 6511 1 10 . 1 1 96 96 THR CA C 96 60.960 60.960 63.373 -2.413 25150 6512 1 10 . 1 1 96 96 THR CB C 96 69.280 69.280 69.160 0.120 25150 6513 1 10 . 1 1 96 96 THR H H 96 7.794 7.794 8.057 -0.263 25150 6514 1 10 . 1 1 97 97 GLU N N 97 123.314 123.314 122.044 1.270 25150 6515 1 10 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.163 0.154 25150 6516 1 10 . 1 1 97 97 GLU C C 97 176.907 176.907 177.411 -0.504 25150 6517 1 10 . 1 1 97 97 GLU CA C 97 58.680 58.680 59.266 -0.586 25150 6518 1 10 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.769 1.021 25150 6519 1 10 . 1 1 97 97 GLU H H 97 8.913 8.913 8.543 0.370 25150 6520 1 10 . 1 1 98 98 ASP N N 98 116.420 116.420 117.234 -0.814 25150 6521 1 10 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.742 0.448 25150 6522 1 10 . 1 1 98 98 ASP CB C 98 41.500 41.500 40.935 0.565 25150 6523 1 10 . 1 1 98 98 ASP H H 98 8.124 8.124 8.099 0.025 25150 6524 1 10 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.733 -0.313 25150 6525 1 10 . 1 1 99 99 TRP C C 99 176.495 176.495 175.930 0.565 25150 6526 1 10 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.320 0.110 25150 6527 1 10 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.439 -0.859 25150 6528 1 10 . 1 1 100 100 SER N N 100 120.993 120.993 120.657 0.336 25150 6529 1 10 . 1 1 100 100 SER CA C 100 55.370 55.370 53.751 1.619 25150 6530 1 10 . 1 1 100 100 SER CB C 100 64.860 64.860 64.322 0.538 25150 6531 1 10 . 1 1 100 100 SER H H 100 5.703 5.703 6.941 -1.238 25150 6532 1 10 . 1 1 101 101 PRO HA H 101 4.193 4.193 3.994 0.199 25150 6533 1 10 . 1 1 101 101 PRO C C 101 175.227 175.227 176.436 -1.209 25150 6534 1 10 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.622 -0.922 25150 6535 1 10 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.605 -0.184 25150 6536 1 10 . 1 1 102 102 ALA N N 102 118.668 118.668 118.408 0.260 25150 6537 1 10 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.114 -0.020 25150 6538 1 10 . 1 1 102 102 ALA C C 102 178.797 178.797 177.698 1.099 25150 6539 1 10 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.172 0.658 25150 6540 1 10 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.799 0.211 25150 6541 1 10 . 1 1 102 102 ALA H H 102 7.290 7.290 7.204 0.086 25150 6542 1 10 . 1 1 103 103 LEU N N 103 119.365 119.365 119.875 -0.510 25150 6543 1 10 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.619 -0.409 25150 6544 1 10 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.685 -0.975 25150 6545 1 10 . 1 1 103 103 LEU H H 103 7.263 7.263 7.270 -0.007 25150 6546 1 10 . 1 1 104 104 SER HA H 104 4.381 4.381 5.237 -0.856 25150 6547 1 10 . 1 1 104 104 SER C C 104 175.278 175.278 175.592 -0.314 25150 6548 1 10 . 1 1 104 104 SER CA C 104 56.500 56.500 55.991 0.509 25150 6549 1 10 . 1 1 104 104 SER CB C 104 66.770 66.770 66.413 0.357 25150 6550 1 10 . 1 1 105 105 VAL N N 105 123.025 123.025 121.334 1.691 25150 6551 1 10 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.664 -0.052 25150 6552 1 10 . 1 1 105 105 VAL C C 105 179.053 179.053 177.047 2.006 25150 6553 1 10 . 1 1 105 105 VAL CA C 105 68.070 68.070 65.700 2.370 25150 6554 1 10 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.377 0.243 25150 6555 1 10 . 1 1 105 105 VAL H H 105 9.841 9.841 9.056 0.785 25150 6556 1 10 . 1 1 106 106 GLN N N 106 121.218 121.218 118.554 2.664 25150 6557 1 10 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.902 -0.047 25150 6558 1 10 . 1 1 106 106 GLN C C 106 177.698 177.698 178.317 -0.619 25150 6559 1 10 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.395 1.736 25150 6560 1 10 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.290 -0.060 25150 6561 1 10 . 1 1 106 106 GLN H H 106 9.109 9.109 8.552 0.557 25150 6562 1 10 . 1 1 107 107 SER N N 107 115.531 115.531 117.445 -1.914 25150 6563 1 10 . 1 1 107 107 SER C C 107 177.828 177.828 176.478 1.350 25150 6564 1 10 . 1 1 107 107 SER CA C 107 62.500 62.500 62.647 -0.147 25150 6565 1 10 . 1 1 107 107 SER CB C 107 62.670 62.670 62.739 -0.069 25150 6566 1 10 . 1 1 107 107 SER H H 107 8.209 8.209 8.156 0.053 25150 6567 1 10 . 1 1 108 108 VAL N N 108 123.756 123.756 121.609 2.147 25150 6568 1 10 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.751 -0.090 25150 6569 1 10 . 1 1 108 108 VAL C C 108 178.087 178.087 177.800 0.287 25150 6570 1 10 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.665 0.305 25150 6571 1 10 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.894 -0.184 25150 6572 1 10 . 1 1 108 108 VAL H H 108 8.256 8.256 7.810 0.446 25150 6573 1 10 . 1 1 109 109 CYS N N 109 118.175 118.175 117.962 0.213 25150 6574 1 10 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.212 -0.277 25150 6575 1 10 . 1 1 109 109 CYS C C 109 176.918 176.918 176.785 0.133 25150 6576 1 10 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.337 1.553 25150 6577 1 10 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.661 1.139 25150 6578 1 10 . 1 1 109 109 CYS H H 109 8.781 8.781 8.214 0.567 25150 6579 1 10 . 1 1 110 110 LEU N N 110 118.491 118.491 122.398 -3.907 25150 6580 1 10 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.021 0.089 25150 6581 1 10 . 1 1 110 110 LEU C C 110 180.150 180.150 177.958 2.192 25150 6582 1 10 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.387 0.093 25150 6583 1 10 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.550 -0.540 25150 6584 1 10 . 1 1 110 110 LEU H H 110 8.543 8.543 8.674 -0.131 25150 6585 1 10 . 1 1 111 111 SER N N 111 117.917 117.917 115.804 2.113 25150 6586 1 10 . 1 1 111 111 SER C C 111 177.009 177.009 177.065 -0.056 25150 6587 1 10 . 1 1 111 111 SER CA C 111 63.050 63.050 62.490 0.560 25150 6588 1 10 . 1 1 111 111 SER CB C 111 62.980 62.980 62.891 0.089 25150 6589 1 10 . 1 1 111 111 SER H H 111 8.181 8.181 8.020 0.161 25150 6590 1 10 . 1 1 112 112 ILE N N 112 124.764 124.764 123.000 1.764 25150 6591 1 10 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.642 0.031 25150 6592 1 10 . 1 1 112 112 ILE C C 112 177.441 177.441 177.803 -0.362 25150 6593 1 10 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.665 -0.235 25150 6594 1 10 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.802 0.148 25150 6595 1 10 . 1 1 112 112 ILE H H 112 8.249 8.249 8.107 0.142 25150 6596 1 10 . 1 1 113 113 ILE N N 113 121.123 121.123 120.389 0.734 25150 6597 1 10 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.639 -0.043 25150 6598 1 10 . 1 1 113 113 ILE C C 113 179.525 179.525 178.350 1.175 25150 6599 1 10 . 1 1 113 113 ILE CA C 113 66.260 66.260 66.029 0.231 25150 6600 1 10 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.759 1.021 25150 6601 1 10 . 1 1 113 113 ILE H H 113 8.415 8.415 8.475 -0.060 25150 6602 1 10 . 1 1 114 114 SER N N 114 115.247 115.247 115.650 -0.403 25150 6603 1 10 . 1 1 114 114 SER HA H 114 4.300 4.300 4.228 0.072 25150 6604 1 10 . 1 1 114 114 SER C C 114 176.915 176.915 176.870 0.045 25150 6605 1 10 . 1 1 114 114 SER CA C 114 61.510 61.510 61.584 -0.074 25150 6606 1 10 . 1 1 114 114 SER CB C 114 62.990 62.990 62.971 0.019 25150 6607 1 10 . 1 1 114 114 SER H H 114 8.241 8.241 8.367 -0.126 25150 6608 1 10 . 1 1 115 115 MET N N 115 122.921 122.921 124.098 -1.177 25150 6609 1 10 . 1 1 115 115 MET C C 115 179.552 179.552 178.240 1.312 25150 6610 1 10 . 1 1 115 115 MET CA C 115 59.030 59.030 59.288 -0.258 25150 6611 1 10 . 1 1 115 115 MET CB C 115 33.040 33.040 32.568 0.472 25150 6612 1 10 . 1 1 115 115 MET H H 115 8.216 8.216 8.226 -0.010 25150 6613 1 10 . 1 1 116 116 LEU N N 116 120.553 120.553 117.985 2.568 25150 6614 1 10 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.000 0.077 25150 6615 1 10 . 1 1 116 116 LEU C C 116 179.264 179.264 179.092 0.172 25150 6616 1 10 . 1 1 116 116 LEU CA C 116 58.770 58.770 56.916 1.854 25150 6617 1 10 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.743 -1.113 25150 6618 1 10 . 1 1 116 116 LEU H H 116 7.981 7.981 8.144 -0.163 25150 6619 1 10 . 1 1 117 117 SER N N 117 114.100 114.100 113.478 0.622 25150 6620 1 10 . 1 1 117 117 SER HA H 117 4.342 4.342 4.365 -0.023 25150 6621 1 10 . 1 1 117 117 SER C C 117 175.042 175.042 175.083 -0.041 25150 6622 1 10 . 1 1 117 117 SER CA C 117 61.700 61.700 61.171 0.529 25150 6623 1 10 . 1 1 117 117 SER CB C 117 63.120 63.120 63.711 -0.591 25150 6624 1 10 . 1 1 117 117 SER H H 117 8.467 8.467 8.017 0.450 25150 6625 1 10 . 1 1 118 118 SER N N 118 113.628 113.628 116.256 -2.628 25150 6626 1 10 . 1 1 118 118 SER HA H 118 4.485 4.485 4.654 -0.169 25150 6627 1 10 . 1 1 118 118 SER C C 118 174.142 174.142 173.521 0.621 25150 6628 1 10 . 1 1 118 118 SER CA C 118 59.000 59.000 56.827 2.173 25150 6629 1 10 . 1 1 118 118 SER CB C 118 64.040 64.040 63.577 0.464 25150 6630 1 10 . 1 1 118 118 SER H H 118 8.037 8.037 8.010 0.027 25150 6631 1 10 . 1 1 119 119 CYS N N 119 122.293 122.293 126.763 -4.470 25150 6632 1 10 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.543 -0.353 25150 6633 1 10 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.597 -0.327 25150 6634 1 10 . 1 1 119 119 CYS H H 119 7.250 7.250 8.618 -1.368 25150 6635 1 10 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.395 0.145 25150 6636 1 10 . 1 1 120 120 LYS C C 120 176.345 176.345 175.672 0.673 25150 6637 1 10 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.041 10.009 25150 6638 1 10 . 1 1 120 120 LYS CB C 120 33.550 33.550 33.586 -0.036 25150 6639 1 10 . 1 1 121 121 GLU N N 121 120.936 120.936 120.316 0.620 25150 6640 1 10 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.357 -0.128 25150 6641 1 10 . 1 1 121 121 GLU C C 121 174.053 174.053 176.025 -1.972 25150 6642 1 10 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.868 0.322 25150 6643 1 10 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.693 0.997 25150 6644 1 10 . 1 1 121 121 GLU H H 121 7.700 7.700 8.459 -0.759 25150 6645 1 10 . 1 1 122 122 LYS N N 122 127.472 127.472 124.979 2.493 25150 6646 1 10 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.147 -0.285 25150 6647 1 10 . 1 1 122 122 LYS C C 122 174.440 174.440 176.348 -1.908 25150 6648 1 10 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.580 1.700 25150 6649 1 10 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.040 -0.630 25150 6650 1 10 . 1 1 122 122 LYS H H 122 8.890 8.890 8.479 0.411 25150 6651 1 10 . 1 1 123 123 ARG N N 123 123.268 123.268 124.831 -1.563 25150 6652 1 10 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.376 -0.106 25150 6653 1 10 . 1 1 123 123 ARG C C 123 172.653 172.653 176.157 -3.504 25150 6654 1 10 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.792 -1.212 25150 6655 1 10 . 1 1 123 123 ARG CB C 123 32.230 32.230 30.835 1.395 25150 6656 1 10 . 1 1 123 123 ARG H H 123 6.841 6.841 8.481 -1.640 25150 6657 1 10 . 1 1 124 124 ARG N N 124 116.787 116.787 127.168 -10.381 25150 6658 1 10 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.583 0.127 25150 6659 1 10 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.887 -0.807 25150 6660 1 10 . 1 1 124 124 ARG H H 124 8.044 8.044 8.442 -0.398 25150 6661 1 10 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.824 0.976 25150 6662 1 10 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.346 -0.566 25150 6663 1 10 . 1 1 127 127 ASP N N 127 115.165 115.165 120.074 -4.909 25150 6664 1 10 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.752 0.372 25150 6665 1 10 . 1 1 127 127 ASP C C 127 172.871 172.871 176.017 -3.146 25150 6666 1 10 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.676 -1.006 25150 6667 1 10 . 1 1 127 127 ASP CB C 127 39.140 39.140 41.129 -1.989 25150 6668 1 10 . 1 1 127 127 ASP H H 127 8.711 8.711 8.073 0.638 25150 6669 1 10 . 1 1 128 128 ASN N N 128 127.858 127.858 123.333 4.525 25150 6670 1 10 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.352 1.128 25150 6671 1 10 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.632 -0.072 25150 6672 1 10 . 1 1 128 128 ASN H H 128 8.502 8.502 8.895 -0.393 25150 6673 1 10 . 1 1 129 129 SER C C 129 176.346 176.346 176.151 0.195 25150 6674 1 10 . 1 1 129 129 SER CA C 129 62.330 62.330 61.361 0.969 25150 6675 1 10 . 1 1 130 130 PHE N N 130 121.897 121.897 124.982 -3.085 25150 6676 1 10 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.199 -0.079 25150 6677 1 10 . 1 1 130 130 PHE C C 130 177.740 177.740 177.053 0.687 25150 6678 1 10 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.836 -0.876 25150 6679 1 10 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.041 0.719 25150 6680 1 10 . 1 1 130 130 PHE H H 130 8.022 8.022 8.358 -0.336 25150 6681 1 10 . 1 1 131 131 TYR N N 131 122.173 122.173 120.546 1.627 25150 6682 1 10 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.078 -0.332 25150 6683 1 10 . 1 1 131 131 TYR C C 131 178.140 178.140 176.372 1.768 25150 6684 1 10 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.587 0.703 25150 6685 1 10 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.493 1.046 25150 6686 1 10 . 1 1 131 131 TYR H H 131 8.871 8.871 8.016 0.855 25150 6687 1 10 . 1 1 132 132 VAL N N 132 116.993 116.993 115.819 1.174 25150 6688 1 10 . 1 1 132 132 VAL C C 132 178.082 178.082 178.787 -0.705 25150 6689 1 10 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.621 0.709 25150 6690 1 10 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.708 -0.258 25150 6691 1 10 . 1 1 132 132 VAL H H 132 8.551 8.551 7.746 0.805 25150 6692 1 10 . 1 1 133 133 ARG N N 133 118.860 118.860 119.490 -0.630 25150 6693 1 10 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.785 0.195 25150 6694 1 10 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.458 -0.208 25150 6695 1 10 . 1 1 133 133 ARG H H 133 7.545 7.545 8.191 -0.646 25150 6696 1 10 . 1 1 134 134 THR CA C 134 62.280 62.280 60.829 1.451 25150 6697 1 10 . 1 1 134 134 THR CB C 134 69.790 69.790 68.266 1.524 25150 6698 1 10 . 1 1 135 135 CYS N N 135 125.959 125.959 121.916 4.043 25150 6699 1 10 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.079 -0.319 25150 6700 1 10 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.726 11.284 25150 6701 1 10 . 1 1 135 135 CYS H H 135 7.881 7.881 7.338 0.543 25150 6702 1 10 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.754 -0.744 25150 6703 1 10 . 1 1 136 136 ASN C C 136 177.768 177.768 174.476 3.292 25150 6704 1 10 . 1 1 136 136 ASN CA C 136 54.160 54.160 52.828 1.332 25150 6705 1 10 . 1 1 136 136 ASN CB C 136 38.470 38.470 39.615 -1.145 25150 6706 1 10 . 1 1 137 137 LYS N N 137 119.224 119.224 121.384 -2.160 25150 6707 1 10 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.331 -0.135 25150 6708 1 10 . 1 1 137 137 LYS C C 137 176.185 176.185 176.029 0.156 25150 6709 1 10 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.825 1.155 25150 6710 1 10 . 1 1 137 137 LYS CB C 137 32.870 32.870 33.163 -0.293 25150 6711 1 10 . 1 1 137 137 LYS H H 137 7.678 7.678 8.295 -0.617 25150 6712 1 10 . 1 1 138 138 ASN N N 138 117.174 117.174 120.669 -3.495 25150 6713 1 10 . 1 1 138 138 ASN CA C 138 51.530 51.530 52.035 -0.506 25150 6714 1 10 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.139 0.801 25150 6715 1 10 . 1 1 138 138 ASN H H 138 7.969 7.969 8.482 -0.513 25150 6716 1 10 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.634 -0.236 25150 6717 1 10 . 1 1 139 139 PRO C C 139 177.335 177.335 176.390 0.945 25150 6718 1 10 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.737 1.113 25150 6719 1 10 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.755 -0.645 25150 6720 1 10 . 1 1 140 140 LYS N N 140 118.218 118.218 120.202 -1.984 25150 6721 1 10 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.169 28.481 25150 6722 1 10 . 1 1 140 140 LYS C C 140 176.564 176.564 177.168 -0.604 25150 6723 1 10 . 1 1 140 140 LYS CA C 140 56.990 56.990 57.011 -0.021 25150 6724 1 10 . 1 1 140 140 LYS H H 140 8.108 8.108 8.386 -0.278 25150 6725 1 10 . 1 1 141 141 LYS N N 141 119.276 119.276 121.130 -1.854 25150 6726 1 10 . 1 1 141 141 LYS C C 141 177.924 177.924 175.752 2.172 25150 6727 1 10 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.306 -0.206 25150 6728 1 10 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.871 -3.091 25150 6729 1 10 . 1 1 141 141 LYS H H 141 8.135 8.135 7.691 0.444 25150 6730 1 10 . 1 1 142 142 THR N N 142 115.380 115.380 121.092 -5.712 25150 6731 1 10 . 1 1 142 142 THR CA C 142 61.850 61.850 62.448 -0.598 25150 6732 1 10 . 1 1 142 142 THR CB C 142 69.660 69.660 69.020 0.640 25150 6733 1 10 . 1 1 142 142 THR H H 142 8.030 8.030 8.218 -0.188 25150 6734 1 10 . 1 1 143 143 LYS C C 143 178.955 178.955 176.020 2.935 25150 6735 1 10 . 1 1 144 144 TRP N N 144 120.470 120.470 118.135 2.335 25150 6736 1 10 . 1 1 144 144 TRP C C 144 176.557 176.557 175.997 0.560 25150 6737 1 10 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.633 0.237 25150 6738 1 10 . 1 1 144 144 TRP CB C 144 33.000 33.000 26.533 6.467 25150 6739 1 10 . 1 1 144 144 TRP H H 144 8.094 8.094 7.509 0.585 25150 6740 1 10 . 1 1 145 145 TRP N N 145 120.330 120.330 116.593 3.737 25150 6741 1 10 . 1 1 145 145 TRP CA C 145 57.120 57.120 57.734 -0.614 25150 6742 1 10 . 1 1 145 145 TRP CB C 145 32.850 32.850 28.541 4.309 25150 6743 1 10 . 1 1 145 145 TRP H H 145 8.488 8.488 7.976 0.512 25150 6744 1 10 . 1 1 146 146 TYR C C 146 174.706 174.706 175.879 -1.173 25150 6745 1 10 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.665 -0.235 25150 6746 1 10 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.159 0.581 25150 6747 1 10 . 1 1 147 147 HIS N N 147 121.604 121.604 123.234 -1.630 25150 6748 1 10 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.404 -0.218 25150 6749 1 10 . 1 1 147 147 HIS C C 147 176.874 176.874 173.581 3.293 25150 6750 1 10 . 1 1 147 147 HIS CA C 147 56.240 56.240 54.193 2.047 25150 6751 1 10 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.427 0.773 25150 6752 1 10 . 1 1 147 147 HIS H H 147 7.886 7.886 7.727 0.159 25150 6753 1 10 . 1 1 148 148 ASP N N 148 122.629 122.629 120.170 2.459 25150 6754 1 10 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.460 0.084 25150 6755 1 10 . 1 1 148 148 ASP C C 148 175.661 175.661 175.924 -0.263 25150 6756 1 10 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.223 -0.043 25150 6757 1 10 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.983 0.697 25150 6758 1 10 . 1 1 148 148 ASP H H 148 8.109 8.109 8.344 -0.235 25150 6759 1 10 . 1 1 149 149 ASP N N 149 121.321 121.321 121.879 -0.558 25150 6760 1 10 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.566 0.088 25150 6761 1 10 . 1 1 149 149 ASP C C 149 176.551 176.551 177.059 -0.508 25150 6762 1 10 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.536 0.074 25150 6763 1 10 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.533 -0.173 25150 6764 1 10 . 1 1 149 149 ASP H H 149 8.395 8.395 8.291 0.104 25150 6765 1 10 . 1 1 150 150 THR N N 150 113.450 113.450 116.791 -3.341 25150 6766 1 10 . 1 1 150 150 THR HA H 150 4.296 4.296 4.309 -0.013 25150 6767 1 10 . 1 1 150 150 THR C C 150 173.994 173.994 174.536 -0.542 25150 6768 1 10 . 1 1 150 150 THR CA C 150 62.310 62.310 64.506 -2.196 25150 6769 1 10 . 1 1 150 150 THR CB C 150 69.870 69.870 69.036 0.834 25150 6770 1 10 . 1 1 150 150 THR H H 150 8.259 8.259 8.423 -0.164 25150 6771 1 11 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.059 0.235 25150 6772 1 11 . 1 1 6 6 LYS C C 6 176.970 176.970 178.923 -1.953 25150 6773 1 11 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.454 -1.084 25150 6774 1 11 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.020 0.460 25150 6775 1 11 . 1 1 7 7 ARG N N 7 119.704 119.704 120.240 -0.536 25150 6776 1 11 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.084 0.114 25150 6777 1 11 . 1 1 7 7 ARG C C 7 178.270 178.270 178.800 -0.530 25150 6778 1 11 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.592 -0.562 25150 6779 1 11 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.236 -1.676 25150 6780 1 11 . 1 1 7 7 ARG H H 7 8.599 8.599 7.987 0.612 25150 6781 1 11 . 1 1 8 8 LEU N N 8 119.704 119.704 120.079 -0.375 25150 6782 1 11 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.856 0.234 25150 6783 1 11 . 1 1 8 8 LEU C C 8 178.980 178.980 179.151 -0.171 25150 6784 1 11 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.776 0.514 25150 6785 1 11 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.261 0.799 25150 6786 1 11 . 1 1 8 8 LEU H H 8 8.599 8.599 7.823 0.776 25150 6787 1 11 . 1 1 9 9 GLN N N 9 117.512 117.512 118.403 -0.891 25150 6788 1 11 . 1 1 9 9 GLN HA H 9 4.037 4.037 4.115 -0.078 25150 6789 1 11 . 1 1 9 9 GLN C C 9 178.610 178.610 178.802 -0.192 25150 6790 1 11 . 1 1 9 9 GLN CA C 9 59.310 59.310 58.439 0.871 25150 6791 1 11 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.107 0.373 25150 6792 1 11 . 1 1 9 9 GLN H H 9 8.066 8.066 8.300 -0.234 25150 6793 1 11 . 1 1 10 10 LYS N N 10 119.556 119.556 120.459 -0.903 25150 6794 1 11 . 1 1 10 10 LYS HA H 10 4.080 4.080 4.001 0.079 25150 6795 1 11 . 1 1 10 10 LYS C C 10 180.040 180.040 178.864 1.176 25150 6796 1 11 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.939 -0.259 25150 6797 1 11 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.337 0.123 25150 6798 1 11 . 1 1 10 10 LYS H H 10 7.678 7.678 8.401 -0.723 25150 6799 1 11 . 1 1 11 11 GLU N N 11 120.347 120.347 120.570 -0.223 25150 6800 1 11 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.112 0.064 25150 6801 1 11 . 1 1 11 11 GLU C C 11 178.770 178.770 178.936 -0.166 25150 6802 1 11 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.412 1.628 25150 6803 1 11 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.836 0.824 25150 6804 1 11 . 1 1 11 11 GLU H H 11 8.533 8.533 8.025 0.508 25150 6805 1 11 . 1 1 12 12 LEU N N 12 123.285 123.285 121.514 1.771 25150 6806 1 11 . 1 1 12 12 LEU C C 12 178.570 178.570 178.678 -0.108 25150 6807 1 11 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.850 0.270 25150 6808 1 11 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.586 -0.506 25150 6809 1 11 . 1 1 12 12 LEU H H 12 8.685 8.685 8.284 0.401 25150 6810 1 11 . 1 1 13 13 LEU N N 13 118.881 118.881 118.242 0.639 25150 6811 1 11 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.822 0.175 25150 6812 1 11 . 1 1 13 13 LEU C C 13 179.260 179.260 178.833 0.427 25150 6813 1 11 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.892 0.008 25150 6814 1 11 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.188 0.702 25150 6815 1 11 . 1 1 13 13 LEU H H 13 7.588 7.588 8.000 -0.412 25150 6816 1 11 . 1 1 14 14 ALA N N 14 120.667 120.667 122.475 -1.808 25150 6817 1 11 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.048 0.142 25150 6818 1 11 . 1 1 14 14 ALA C C 14 176.270 176.270 179.697 -3.427 25150 6819 1 11 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.151 0.039 25150 6820 1 11 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.326 -0.296 25150 6821 1 11 . 1 1 14 14 ALA H H 14 7.617 7.617 8.131 -0.514 25150 6822 1 11 . 1 1 15 15 LEU N N 15 119.965 119.965 116.506 3.459 25150 6823 1 11 . 1 1 15 15 LEU CA C 15 57.450 57.450 55.852 1.598 25150 6824 1 11 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.561 0.699 25150 6825 1 11 . 1 1 15 15 LEU H H 15 7.726 7.726 7.999 -0.273 25150 6826 1 11 . 1 1 16 16 GLN N N 16 115.381 115.381 116.623 -1.242 25150 6827 1 11 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.162 -0.184 25150 6828 1 11 . 1 1 16 16 GLN C C 16 177.950 177.950 177.684 0.266 25150 6829 1 11 . 1 1 16 16 GLN CA C 16 58.460 58.460 57.605 0.855 25150 6830 1 11 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.728 1.062 25150 6831 1 11 . 1 1 16 16 GLN H H 16 8.028 8.028 7.849 0.179 25150 6832 1 11 . 1 1 17 17 ASN N N 17 114.975 114.975 116.943 -1.968 25150 6833 1 11 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.639 -0.009 25150 6834 1 11 . 1 1 17 17 ASN C C 17 175.303 175.303 175.001 0.302 25150 6835 1 11 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.839 0.041 25150 6836 1 11 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.287 0.563 25150 6837 1 11 . 1 1 17 17 ASN H H 17 8.136 8.136 7.901 0.235 25150 6838 1 11 . 1 1 18 18 ASP N N 18 119.698 119.698 118.210 1.488 25150 6839 1 11 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.630 0.830 25150 6840 1 11 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.310 -0.800 25150 6841 1 11 . 1 1 18 18 ASP H H 18 8.218 8.218 7.996 0.222 25150 6842 1 11 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.343 -0.028 25150 6843 1 11 . 1 1 21 21 PRO C C 21 177.867 177.867 177.650 0.217 25150 6844 1 11 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.160 -0.340 25150 6845 1 11 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.706 -0.136 25150 6846 1 11 . 1 1 22 22 GLY N N 22 111.293 111.293 111.208 0.085 25150 6847 1 11 . 1 1 22 22 GLY C C 22 174.342 174.342 173.630 0.712 25150 6848 1 11 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.228 0.762 25150 6849 1 11 . 1 1 22 22 GLY H H 22 8.506 8.506 8.679 -0.173 25150 6850 1 11 . 1 1 23 23 MET N N 23 118.966 118.966 120.434 -1.468 25150 6851 1 11 . 1 1 23 23 MET HA H 23 5.699 5.699 5.644 0.055 25150 6852 1 11 . 1 1 23 23 MET C C 23 175.386 175.386 174.710 0.676 25150 6853 1 11 . 1 1 23 23 MET CA C 23 55.270 55.270 54.108 1.162 25150 6854 1 11 . 1 1 23 23 MET CB C 23 35.890 35.890 36.065 -0.175 25150 6855 1 11 . 1 1 23 23 MET H H 23 8.017 8.017 7.831 0.186 25150 6856 1 11 . 1 1 24 24 THR N N 24 112.647 112.647 123.439 -10.792 25150 6857 1 11 . 1 1 24 24 THR HA H 24 4.596 4.596 4.642 -0.046 25150 6858 1 11 . 1 1 24 24 THR C C 24 173.407 173.407 173.369 0.038 25150 6859 1 11 . 1 1 24 24 THR CA C 24 60.850 60.850 61.771 -0.921 25150 6860 1 11 . 1 1 24 24 THR CB C 24 72.360 72.360 70.611 1.749 25150 6861 1 11 . 1 1 24 24 THR H H 24 8.565 8.565 9.107 -0.542 25150 6862 1 11 . 1 1 25 25 LEU N N 25 126.920 126.920 126.661 0.259 25150 6863 1 11 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.638 -0.342 25150 6864 1 11 . 1 1 25 25 LEU C C 25 175.624 175.624 175.558 0.066 25150 6865 1 11 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.938 2.232 25150 6866 1 11 . 1 1 25 25 LEU CB C 25 42.710 42.710 45.066 -2.356 25150 6867 1 11 . 1 1 25 25 LEU H H 25 9.189 9.189 8.557 0.632 25150 6868 1 11 . 1 1 26 26 ASN N N 26 127.108 127.108 118.875 8.233 25150 6869 1 11 . 1 1 26 26 ASN C C 26 173.783 173.783 172.794 0.989 25150 6870 1 11 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.033 2.067 25150 6871 1 11 . 1 1 26 26 ASN CB C 26 40.370 40.370 41.153 -0.783 25150 6872 1 11 . 1 1 26 26 ASN H H 26 9.000 9.000 8.493 0.507 25150 6873 1 11 . 1 1 27 27 GLU N N 27 108.990 108.990 118.293 -9.303 25150 6874 1 11 . 1 1 27 27 GLU CA C 27 56.610 56.610 54.627 1.983 25150 6875 1 11 . 1 1 27 27 GLU H H 27 7.631 7.631 8.452 -0.821 25150 6876 1 11 . 1 1 30 30 VAL C C 30 177.011 177.011 175.853 1.158 25150 6877 1 11 . 1 1 30 30 VAL CA C 30 55.230 55.230 60.106 -4.876 25150 6878 1 11 . 1 1 30 30 VAL CB C 30 30.860 30.860 33.898 -3.038 25150 6879 1 11 . 1 1 31 31 GLN N N 31 125.960 125.960 118.779 7.181 25150 6880 1 11 . 1 1 31 31 GLN CA C 31 58.430 58.430 56.907 1.523 25150 6881 1 11 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.601 0.529 25150 6882 1 11 . 1 1 31 31 GLN H H 31 7.880 7.880 8.636 -0.756 25150 6883 1 11 . 1 1 34 34 ILE HA H 34 4.660 4.660 3.984 0.676 25150 6884 1 11 . 1 1 34 34 ILE C C 34 178.642 178.642 175.620 3.022 25150 6885 1 11 . 1 1 34 34 ILE CA C 34 54.970 54.970 61.055 -6.085 25150 6886 1 11 . 1 1 34 34 ILE CB C 34 42.000 42.000 37.156 4.844 25150 6887 1 11 . 1 1 35 35 THR N N 35 110.980 110.980 125.709 -14.729 25150 6888 1 11 . 1 1 35 35 THR CA C 35 61.070 61.070 64.086 -3.016 25150 6889 1 11 . 1 1 35 35 THR CB C 35 69.090 69.090 68.232 0.858 25150 6890 1 11 . 1 1 35 35 THR H H 35 7.825 7.825 8.431 -0.607 25150 6891 1 11 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.280 0.344 25150 6892 1 11 . 1 1 36 36 GLN C C 36 174.178 174.178 175.440 -1.262 25150 6893 1 11 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.520 0.570 25150 6894 1 11 . 1 1 36 36 GLN CB C 36 32.290 32.290 32.922 -0.632 25150 6895 1 11 . 1 1 37 37 TRP N N 37 123.942 123.942 122.792 1.150 25150 6896 1 11 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.146 0.430 25150 6897 1 11 . 1 1 37 37 TRP C C 37 174.959 174.959 175.688 -0.729 25150 6898 1 11 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.849 -1.219 25150 6899 1 11 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.473 0.477 25150 6900 1 11 . 1 1 37 37 TRP H H 37 9.242 9.242 9.231 0.011 25150 6901 1 11 . 1 1 38 38 ILE N N 38 121.559 121.559 122.684 -1.125 25150 6902 1 11 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.206 0.073 25150 6903 1 11 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.255 -0.825 25150 6904 1 11 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.073 -0.833 25150 6905 1 11 . 1 1 38 38 ILE H H 38 8.778 8.778 8.759 0.019 25150 6906 1 11 . 1 1 39 39 VAL N N 39 128.719 128.719 120.752 7.967 25150 6907 1 11 . 1 1 39 39 VAL HA H 39 4.581 4.581 5.152 -0.571 25150 6908 1 11 . 1 1 39 39 VAL C C 39 175.175 175.175 174.345 0.830 25150 6909 1 11 . 1 1 39 39 VAL CA C 39 61.250 61.250 58.720 2.530 25150 6910 1 11 . 1 1 39 39 VAL CB C 39 35.850 35.850 35.950 -0.100 25150 6911 1 11 . 1 1 39 39 VAL H H 39 9.533 9.533 9.076 0.457 25150 6912 1 11 . 1 1 40 40 ASP N N 40 128.451 128.451 123.350 5.101 25150 6913 1 11 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.479 -0.261 25150 6914 1 11 . 1 1 40 40 ASP C C 40 175.157 175.157 174.785 0.372 25150 6915 1 11 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.556 1.754 25150 6916 1 11 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.655 -1.155 25150 6917 1 11 . 1 1 40 40 ASP H H 40 9.165 9.165 8.783 0.382 25150 6918 1 11 . 1 1 41 41 MET N N 41 120.544 120.544 124.242 -3.698 25150 6919 1 11 . 1 1 41 41 MET HA H 41 5.467 5.467 5.550 -0.083 25150 6920 1 11 . 1 1 41 41 MET C C 41 173.590 173.590 173.911 -0.321 25150 6921 1 11 . 1 1 41 41 MET CA C 41 54.610 54.610 54.262 0.348 25150 6922 1 11 . 1 1 41 41 MET CB C 41 37.490 37.490 37.557 -0.067 25150 6923 1 11 . 1 1 41 41 MET H H 41 8.756 8.756 9.255 -0.499 25150 6924 1 11 . 1 1 42 42 GLU N N 42 125.740 125.740 127.371 -1.631 25150 6925 1 11 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.298 -0.288 25150 6926 1 11 . 1 1 42 42 GLU C C 42 177.323 177.323 176.719 0.604 25150 6927 1 11 . 1 1 42 42 GLU CA C 42 54.480 54.480 53.941 0.539 25150 6928 1 11 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.855 -1.595 25150 6929 1 11 . 1 1 42 42 GLU H H 42 8.706 8.706 8.589 0.117 25150 6930 1 11 . 1 1 43 43 GLY N N 43 111.314 111.314 112.392 -1.078 25150 6931 1 11 . 1 1 43 43 GLY C C 43 174.121 174.121 173.694 0.427 25150 6932 1 11 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.218 0.172 25150 6933 1 11 . 1 1 43 43 GLY H H 43 8.917 8.917 8.839 0.078 25150 6934 1 11 . 1 1 44 44 ALA N N 44 128.665 128.665 127.285 1.380 25150 6935 1 11 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.196 0.864 25150 6936 1 11 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.760 -0.290 25150 6937 1 11 . 1 1 44 44 ALA H H 44 8.918 8.918 8.661 0.257 25150 6938 1 11 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.119 0.181 25150 6939 1 11 . 1 1 45 45 PRO C C 45 177.598 177.598 177.382 0.216 25150 6940 1 11 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.662 -1.252 25150 6941 1 11 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.123 0.667 25150 6942 1 11 . 1 1 46 46 GLY N N 46 111.319 111.319 113.437 -2.118 25150 6943 1 11 . 1 1 46 46 GLY C C 46 174.290 174.290 174.708 -0.418 25150 6944 1 11 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.226 0.684 25150 6945 1 11 . 1 1 46 46 GLY H H 46 9.449 9.449 9.311 0.138 25150 6946 1 11 . 1 1 47 47 THR N N 47 107.981 107.981 112.069 -4.088 25150 6947 1 11 . 1 1 47 47 THR HA H 47 4.801 4.801 4.595 0.206 25150 6948 1 11 . 1 1 47 47 THR C C 47 176.158 176.158 176.009 0.149 25150 6949 1 11 . 1 1 47 47 THR CA C 47 60.380 60.380 59.926 0.454 25150 6950 1 11 . 1 1 47 47 THR CB C 47 73.420 73.420 71.254 2.166 25150 6951 1 11 . 1 1 47 47 THR H H 47 7.426 7.426 7.535 -0.109 25150 6952 1 11 . 1 1 48 48 LEU N N 48 119.132 119.132 119.917 -0.785 25150 6953 1 11 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.044 0.013 25150 6954 1 11 . 1 1 48 48 LEU C C 48 175.907 175.907 177.058 -1.151 25150 6955 1 11 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.215 0.275 25150 6956 1 11 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.525 0.095 25150 6957 1 11 . 1 1 48 48 LEU H H 48 8.966 8.966 8.715 0.251 25150 6958 1 11 . 1 1 49 49 TYR N N 49 113.649 113.649 114.149 -0.500 25150 6959 1 11 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.832 -0.007 25150 6960 1 11 . 1 1 49 49 TYR C C 49 174.634 174.634 175.440 -0.806 25150 6961 1 11 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.290 -0.180 25150 6962 1 11 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.749 -0.360 25150 6963 1 11 . 1 1 49 49 TYR H H 49 7.205 7.205 7.459 -0.254 25150 6964 1 11 . 1 1 50 50 GLU N N 50 122.006 122.006 122.362 -0.356 25150 6965 1 11 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.014 -0.537 25150 6966 1 11 . 1 1 50 50 GLU C C 50 177.182 177.182 177.723 -0.541 25150 6967 1 11 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.124 -0.024 25150 6968 1 11 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.678 1.362 25150 6969 1 11 . 1 1 50 50 GLU H H 50 6.934 6.934 7.571 -0.637 25150 6970 1 11 . 1 1 51 51 GLY N N 51 115.165 115.165 115.599 -0.434 25150 6971 1 11 . 1 1 51 51 GLY C C 51 173.997 173.997 173.889 0.108 25150 6972 1 11 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.771 0.729 25150 6973 1 11 . 1 1 51 51 GLY H H 51 8.752 8.752 8.649 0.103 25150 6974 1 11 . 1 1 52 52 GLU N N 52 120.251 120.251 122.261 -2.010 25150 6975 1 11 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.201 -0.231 25150 6976 1 11 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.181 0.259 25150 6977 1 11 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.607 2.093 25150 6978 1 11 . 1 1 52 52 GLU H H 52 7.900 7.900 8.210 -0.310 25150 6979 1 11 . 1 1 53 53 LYS N N 53 120.435 120.435 124.069 -3.634 25150 6980 1 11 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.289 -0.603 25150 6981 1 11 . 1 1 53 53 LYS C C 53 175.285 175.285 175.658 -0.373 25150 6982 1 11 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.586 0.794 25150 6983 1 11 . 1 1 53 53 LYS CB C 53 34.060 34.060 35.060 -1.000 25150 6984 1 11 . 1 1 53 53 LYS H H 53 8.046 8.046 8.164 -0.118 25150 6985 1 11 . 1 1 54 54 PHE N N 54 122.724 122.724 120.429 2.295 25150 6986 1 11 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.923 0.597 25150 6987 1 11 . 1 1 54 54 PHE C C 54 175.151 175.151 174.353 0.798 25150 6988 1 11 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.614 -1.924 25150 6989 1 11 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.710 0.890 25150 6990 1 11 . 1 1 54 54 PHE H H 54 9.082 9.082 8.870 0.212 25150 6991 1 11 . 1 1 55 55 GLN N N 55 121.971 121.971 119.671 2.300 25150 6992 1 11 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.542 -0.191 25150 6993 1 11 . 1 1 55 55 GLN C C 55 173.802 173.802 175.132 -1.330 25150 6994 1 11 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.717 1.483 25150 6995 1 11 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.149 2.171 25150 6996 1 11 . 1 1 55 55 GLN H H 55 10.001 10.001 9.056 0.945 25150 6997 1 11 . 1 1 56 56 LEU N N 56 124.898 124.898 121.950 2.948 25150 6998 1 11 . 1 1 56 56 LEU HA H 56 4.692 4.692 4.963 -0.271 25150 6999 1 11 . 1 1 56 56 LEU C C 56 174.265 174.265 174.844 -0.579 25150 7000 1 11 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.986 -0.566 25150 7001 1 11 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.383 1.307 25150 7002 1 11 . 1 1 56 56 LEU H H 56 9.573 9.573 9.013 0.560 25150 7003 1 11 . 1 1 57 57 LEU N N 57 124.234 124.234 122.424 1.810 25150 7004 1 11 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.196 -0.026 25150 7005 1 11 . 1 1 57 57 LEU C C 57 174.551 174.551 174.549 0.002 25150 7006 1 11 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.122 0.548 25150 7007 1 11 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.682 0.838 25150 7008 1 11 . 1 1 57 57 LEU H H 57 8.890 8.890 8.721 0.169 25150 7009 1 11 . 1 1 58 58 PHE N N 58 124.003 124.003 126.813 -2.810 25150 7010 1 11 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.062 -0.312 25150 7011 1 11 . 1 1 58 58 PHE C C 58 174.407 174.407 174.651 -0.244 25150 7012 1 11 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.477 0.523 25150 7013 1 11 . 1 1 58 58 PHE CB C 58 42.940 42.940 39.906 3.034 25150 7014 1 11 . 1 1 58 58 PHE H H 58 9.134 9.134 8.935 0.199 25150 7015 1 11 . 1 1 59 59 LYS N N 59 120.089 120.089 124.354 -4.265 25150 7016 1 11 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.418 0.465 25150 7017 1 11 . 1 1 59 59 LYS C C 59 175.192 175.192 174.858 0.334 25150 7018 1 11 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.819 -0.999 25150 7019 1 11 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.475 2.055 25150 7020 1 11 . 1 1 59 59 LYS H H 59 8.732 8.732 8.208 0.524 25150 7021 1 11 . 1 1 60 60 PHE N N 60 123.988 123.988 126.726 -2.738 25150 7022 1 11 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.675 -0.371 25150 7023 1 11 . 1 1 60 60 PHE C C 60 174.636 174.636 174.586 0.050 25150 7024 1 11 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.998 0.252 25150 7025 1 11 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.827 0.333 25150 7026 1 11 . 1 1 60 60 PHE H H 60 8.649 8.649 8.817 -0.168 25150 7027 1 11 . 1 1 61 61 SER N N 61 117.599 117.599 117.985 -0.386 25150 7028 1 11 . 1 1 61 61 SER C C 61 174.771 174.771 174.841 -0.070 25150 7029 1 11 . 1 1 61 61 SER CA C 61 57.130 57.130 57.319 -0.189 25150 7030 1 11 . 1 1 61 61 SER CB C 61 66.030 66.030 64.798 1.232 25150 7031 1 11 . 1 1 61 61 SER H H 61 8.066 8.066 8.447 -0.381 25150 7032 1 11 . 1 1 62 62 SER N N 62 119.994 119.994 115.641 4.353 25150 7033 1 11 . 1 1 62 62 SER CA C 62 61.650 61.650 60.446 1.204 25150 7034 1 11 . 1 1 62 62 SER H H 62 8.265 8.265 8.681 -0.416 25150 7035 1 11 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.423 0.027 25150 7036 1 11 . 1 1 63 63 ARG C C 63 175.086 175.086 174.822 0.264 25150 7037 1 11 . 1 1 63 63 ARG CA C 63 57.670 57.670 55.306 2.364 25150 7038 1 11 . 1 1 63 63 ARG CB C 63 30.050 30.050 28.849 1.200 25150 7039 1 11 . 1 1 64 64 TYR N N 64 120.957 120.957 123.892 -2.935 25150 7040 1 11 . 1 1 64 64 TYR CA C 64 59.680 59.680 55.988 3.692 25150 7041 1 11 . 1 1 64 64 TYR CB C 64 38.720 38.720 41.504 -2.784 25150 7042 1 11 . 1 1 64 64 TYR H H 64 7.471 7.471 8.255 -0.784 25150 7043 1 11 . 1 1 65 65 PRO HA H 65 3.670 3.670 4.424 -0.754 25150 7044 1 11 . 1 1 65 65 PRO C C 65 174.345 174.345 175.357 -1.012 25150 7045 1 11 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.123 1.337 25150 7046 1 11 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.202 3.168 25150 7047 1 11 . 1 1 66 66 PHE N N 66 126.070 126.070 122.065 4.005 25150 7048 1 11 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.357 -0.114 25150 7049 1 11 . 1 1 66 66 PHE C C 66 175.867 175.867 175.317 0.550 25150 7050 1 11 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.631 0.449 25150 7051 1 11 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.777 -1.767 25150 7052 1 11 . 1 1 66 66 PHE H H 66 8.630 8.630 8.198 0.432 25150 7053 1 11 . 1 1 67 67 ASP N N 67 118.021 118.021 119.111 -1.090 25150 7054 1 11 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.773 -0.814 25150 7055 1 11 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.592 -47.962 25150 7056 1 11 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.868 -8.028 25150 7057 1 11 . 1 1 67 67 ASP H H 67 7.126 7.126 8.219 -1.093 25150 7058 1 11 . 1 1 68 68 SER N N 68 120.730 120.730 116.032 4.698 25150 7059 1 11 . 1 1 68 68 SER CA C 68 55.750 55.750 55.191 0.559 25150 7060 1 11 . 1 1 68 68 SER CB C 68 61.900 61.900 62.234 -0.334 25150 7061 1 11 . 1 1 68 68 SER H H 68 8.091 8.091 7.948 0.143 25150 7062 1 11 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.234 0.122 25150 7063 1 11 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.033 0.047 25150 7064 1 11 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.398 0.312 25150 7065 1 11 . 1 1 70 70 GLN N N 70 119.493 119.493 120.205 -0.712 25150 7066 1 11 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.545 -0.475 25150 7067 1 11 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.185 1.305 25150 7068 1 11 . 1 1 70 70 GLN H H 70 8.049 8.049 8.094 -0.045 25150 7069 1 11 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.671 -0.271 25150 7070 1 11 . 1 1 71 71 VAL CA C 71 59.810 59.810 61.109 -1.299 25150 7071 1 11 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.442 0.398 25150 7072 1 11 . 1 1 72 72 MET N N 72 120.767 120.767 123.639 -2.872 25150 7073 1 11 . 1 1 72 72 MET HA H 72 4.731 4.731 5.329 -0.598 25150 7074 1 11 . 1 1 72 72 MET C C 72 174.779 174.779 173.781 0.998 25150 7075 1 11 . 1 1 72 72 MET CA C 72 54.390 54.390 54.208 0.182 25150 7076 1 11 . 1 1 72 72 MET CB C 72 36.140 36.140 37.106 -0.966 25150 7077 1 11 . 1 1 72 72 MET H H 72 8.245 8.245 8.161 0.084 25150 7078 1 11 . 1 1 73 73 PHE N N 73 120.458 120.458 115.130 5.328 25150 7079 1 11 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.664 -0.450 25150 7080 1 11 . 1 1 73 73 PHE C C 73 175.404 175.404 173.480 1.924 25150 7081 1 11 . 1 1 73 73 PHE CA C 73 59.580 59.580 55.958 3.622 25150 7082 1 11 . 1 1 73 73 PHE CB C 73 40.620 40.620 42.196 -1.575 25150 7083 1 11 . 1 1 73 73 PHE H H 73 9.193 9.193 8.606 0.587 25150 7084 1 11 . 1 1 74 74 THR N N 74 113.842 113.842 113.362 0.480 25150 7085 1 11 . 1 1 74 74 THR HA H 74 4.777 4.777 4.700 0.077 25150 7086 1 11 . 1 1 74 74 THR C C 74 173.551 173.551 173.269 0.282 25150 7087 1 11 . 1 1 74 74 THR CA C 74 59.580 59.580 60.494 -0.914 25150 7088 1 11 . 1 1 74 74 THR CB C 74 71.300 71.300 71.183 0.117 25150 7089 1 11 . 1 1 74 74 THR H H 74 8.894 8.894 8.974 -0.080 25150 7090 1 11 . 1 1 75 75 GLY N N 75 109.259 109.259 111.805 -2.546 25150 7091 1 11 . 1 1 75 75 GLY C C 75 173.980 173.980 173.257 0.723 25150 7092 1 11 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.527 -0.817 25150 7093 1 11 . 1 1 75 75 GLY H H 75 8.058 8.058 8.198 -0.140 25150 7094 1 11 . 1 1 76 76 GLU N N 76 116.661 116.661 119.563 -2.902 25150 7095 1 11 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.342 -0.201 25150 7096 1 11 . 1 1 76 76 GLU C C 76 176.624 176.624 175.834 0.790 25150 7097 1 11 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.951 1.089 25150 7098 1 11 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.053 0.857 25150 7099 1 11 . 1 1 76 76 GLU H H 76 8.356 8.356 8.651 -0.295 25150 7100 1 11 . 1 1 77 77 ASN N N 77 118.469 118.469 117.300 1.169 25150 7101 1 11 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.876 0.234 25150 7102 1 11 . 1 1 77 77 ASN C C 77 176.525 176.525 174.033 2.492 25150 7103 1 11 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.784 -0.544 25150 7104 1 11 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.233 0.478 25150 7105 1 11 . 1 1 77 77 ASN H H 77 8.614 8.614 8.074 0.540 25150 7106 1 11 . 1 1 78 78 ILE N N 78 117.605 117.605 125.200 -7.595 25150 7107 1 11 . 1 1 78 78 ILE CA C 78 59.390 59.390 57.694 1.696 25150 7108 1 11 . 1 1 78 78 ILE CB C 78 41.640 41.640 36.808 4.832 25150 7109 1 11 . 1 1 78 78 ILE H H 78 7.736 7.736 8.360 -0.624 25150 7110 1 11 . 1 1 79 79 PRO C C 79 176.134 176.134 176.175 -0.041 25150 7111 1 11 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.193 0.637 25150 7112 1 11 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.661 -1.501 25150 7113 1 11 . 1 1 80 80 VAL N N 80 123.378 123.378 122.265 1.113 25150 7114 1 11 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.893 -0.063 25150 7115 1 11 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.926 -2.006 25150 7116 1 11 . 1 1 80 80 VAL H H 80 8.297 8.297 8.485 -0.188 25150 7117 1 11 . 1 1 82 82 PRO C C 82 176.169 176.169 176.717 -0.548 25150 7118 1 11 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.675 0.035 25150 7119 1 11 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.706 -0.035 25150 7120 1 11 . 1 1 83 83 HIS N N 83 121.199 121.199 112.911 8.288 25150 7121 1 11 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.987 -0.146 25150 7122 1 11 . 1 1 83 83 HIS C C 83 173.457 173.457 173.803 -0.346 25150 7123 1 11 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.261 -0.581 25150 7124 1 11 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.822 0.408 25150 7125 1 11 . 1 1 83 83 HIS H H 83 10.996 10.996 8.695 2.301 25150 7126 1 11 . 1 1 84 84 VAL N N 84 121.050 121.050 121.616 -0.566 25150 7127 1 11 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.819 -0.042 25150 7128 1 11 . 1 1 84 84 VAL C C 84 175.155 175.155 175.084 0.071 25150 7129 1 11 . 1 1 84 84 VAL CA C 84 61.100 61.100 61.367 -0.267 25150 7130 1 11 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.703 0.407 25150 7131 1 11 . 1 1 84 84 VAL H H 84 8.058 8.058 7.593 0.465 25150 7132 1 11 . 1 1 85 85 TYR N N 85 126.195 126.195 126.813 -0.618 25150 7133 1 11 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.873 -0.188 25150 7134 1 11 . 1 1 85 85 TYR C C 85 179.268 179.268 177.333 1.935 25150 7135 1 11 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.207 2.183 25150 7136 1 11 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.562 0.708 25150 7137 1 11 . 1 1 85 85 TYR H H 85 9.136 9.136 8.862 0.274 25150 7138 1 11 . 1 1 86 86 SER N N 86 115.546 115.546 118.980 -3.434 25150 7139 1 11 . 1 1 86 86 SER HA H 86 3.935 3.935 4.271 -0.336 25150 7140 1 11 . 1 1 86 86 SER C C 86 174.309 174.309 175.640 -1.331 25150 7141 1 11 . 1 1 86 86 SER CA C 86 61.890 61.890 61.090 0.800 25150 7142 1 11 . 1 1 86 86 SER CB C 86 62.230 62.230 63.046 -0.816 25150 7143 1 11 . 1 1 86 86 SER H H 86 10.052 10.052 9.192 0.860 25150 7144 1 11 . 1 1 87 87 ASN N N 87 116.470 116.470 118.494 -2.024 25150 7145 1 11 . 1 1 87 87 ASN C C 87 175.624 175.624 175.587 0.037 25150 7146 1 11 . 1 1 87 87 ASN CA C 87 52.340 52.340 53.534 -1.194 25150 7147 1 11 . 1 1 87 87 ASN CB C 87 37.490 37.490 39.667 -2.177 25150 7148 1 11 . 1 1 87 87 ASN H H 87 7.331 7.331 7.798 -0.467 25150 7149 1 11 . 1 1 88 88 GLY N N 88 108.412 108.412 107.585 0.827 25150 7150 1 11 . 1 1 88 88 GLY C C 88 174.247 174.247 173.449 0.798 25150 7151 1 11 . 1 1 88 88 GLY CA C 88 45.910 45.910 44.832 1.078 25150 7152 1 11 . 1 1 88 88 GLY H H 88 8.737 8.737 7.874 0.863 25150 7153 1 11 . 1 1 89 89 HIS N N 89 119.508 119.508 121.386 -1.878 25150 7154 1 11 . 1 1 89 89 HIS CA C 89 56.300 56.300 56.953 -0.652 25150 7155 1 11 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.142 1.718 25150 7156 1 11 . 1 1 89 89 HIS H H 89 7.494 7.494 7.885 -0.391 25150 7157 1 11 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.567 -0.153 25150 7158 1 11 . 1 1 90 90 ILE C C 90 174.510 174.510 175.132 -0.622 25150 7159 1 11 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.265 -1.945 25150 7160 1 11 . 1 1 90 90 ILE CB C 90 39.280 39.280 38.952 0.328 25150 7161 1 11 . 1 1 91 91 CYS N N 91 123.587 123.587 128.379 -4.792 25150 7162 1 11 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.669 5.911 25150 7163 1 11 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.297 7.093 25150 7164 1 11 . 1 1 91 91 CYS H H 91 7.304 7.304 8.750 -1.446 25150 7165 1 11 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.497 0.173 25150 7166 1 11 . 1 1 92 92 LEU C C 92 175.822 175.822 177.740 -1.918 25150 7167 1 11 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.466 5.994 25150 7168 1 11 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.470 -4.050 25150 7169 1 11 . 1 1 93 93 SER N N 93 111.707 111.707 118.297 -6.590 25150 7170 1 11 . 1 1 93 93 SER HA H 93 4.331 4.331 4.312 0.019 25150 7171 1 11 . 1 1 93 93 SER C C 93 177.433 177.433 176.066 1.367 25150 7172 1 11 . 1 1 93 93 SER CA C 93 62.150 62.150 60.956 1.194 25150 7173 1 11 . 1 1 93 93 SER H H 93 9.037 9.037 8.948 0.089 25150 7174 1 11 . 1 1 94 94 ILE N N 94 118.993 118.993 115.917 3.076 25150 7175 1 11 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.930 169.608 25150 7176 1 11 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.703 1.607 25150 7177 1 11 . 1 1 94 94 ILE CB C 94 37.900 37.900 36.929 0.971 25150 7178 1 11 . 1 1 94 94 ILE H H 94 7.859 7.859 7.773 0.086 25150 7179 1 11 . 1 1 95 95 LEU N N 95 113.763 113.763 119.025 -5.262 25150 7180 1 11 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.567 0.085 25150 7181 1 11 . 1 1 95 95 LEU C C 95 178.458 178.458 177.198 1.260 25150 7182 1 11 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.819 -0.489 25150 7183 1 11 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.180 -0.100 25150 7184 1 11 . 1 1 95 95 LEU H H 95 7.351 7.351 7.950 -0.599 25150 7185 1 11 . 1 1 96 96 THR N N 96 109.929 109.929 111.446 -1.517 25150 7186 1 11 . 1 1 96 96 THR HA H 96 4.338 4.338 4.470 -0.132 25150 7187 1 11 . 1 1 96 96 THR C C 96 175.947 175.947 176.195 -0.248 25150 7188 1 11 . 1 1 96 96 THR CA C 96 60.960 60.960 61.849 -0.889 25150 7189 1 11 . 1 1 96 96 THR CB C 96 69.280 69.280 69.386 -0.106 25150 7190 1 11 . 1 1 96 96 THR H H 96 7.794 7.794 7.709 0.085 25150 7191 1 11 . 1 1 97 97 GLU N N 97 123.314 123.314 122.188 1.126 25150 7192 1 11 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.088 0.229 25150 7193 1 11 . 1 1 97 97 GLU C C 97 176.907 176.907 176.825 0.082 25150 7194 1 11 . 1 1 97 97 GLU CA C 97 58.680 58.680 59.194 -0.513 25150 7195 1 11 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.235 1.555 25150 7196 1 11 . 1 1 97 97 GLU H H 97 8.913 8.913 8.769 0.144 25150 7197 1 11 . 1 1 98 98 ASP N N 98 116.420 116.420 116.907 -0.487 25150 7198 1 11 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.274 -0.084 25150 7199 1 11 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.285 0.215 25150 7200 1 11 . 1 1 98 98 ASP H H 98 8.124 8.124 8.149 -0.025 25150 7201 1 11 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.567 -0.147 25150 7202 1 11 . 1 1 99 99 TRP C C 99 176.495 176.495 175.655 0.840 25150 7203 1 11 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.013 0.417 25150 7204 1 11 . 1 1 99 99 TRP CB C 99 29.580 29.580 29.769 -0.189 25150 7205 1 11 . 1 1 100 100 SER N N 100 120.993 120.993 122.079 -1.086 25150 7206 1 11 . 1 1 100 100 SER CA C 100 55.370 55.370 54.414 0.956 25150 7207 1 11 . 1 1 100 100 SER CB C 100 64.860 64.860 63.934 0.926 25150 7208 1 11 . 1 1 100 100 SER H H 100 5.703 5.703 7.984 -2.281 25150 7209 1 11 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.073 0.120 25150 7210 1 11 . 1 1 101 101 PRO C C 101 175.227 175.227 176.215 -0.988 25150 7211 1 11 . 1 1 101 101 PRO CA C 101 63.700 63.700 63.825 -0.126 25150 7212 1 11 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.668 -0.248 25150 7213 1 11 . 1 1 102 102 ALA N N 102 118.668 118.668 120.256 -1.588 25150 7214 1 11 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.185 -0.091 25150 7215 1 11 . 1 1 102 102 ALA C C 102 178.797 178.797 177.880 0.917 25150 7216 1 11 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.111 0.719 25150 7217 1 11 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.084 -0.073 25150 7218 1 11 . 1 1 102 102 ALA H H 102 7.290 7.290 7.227 0.063 25150 7219 1 11 . 1 1 103 103 LEU N N 103 119.365 119.365 119.516 -0.151 25150 7220 1 11 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.372 -0.162 25150 7221 1 11 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.741 -1.031 25150 7222 1 11 . 1 1 103 103 LEU H H 103 7.263 7.263 6.951 0.312 25150 7223 1 11 . 1 1 104 104 SER HA H 104 4.381 4.381 4.832 -0.451 25150 7224 1 11 . 1 1 104 104 SER C C 104 175.278 175.278 175.804 -0.526 25150 7225 1 11 . 1 1 104 104 SER CA C 104 56.500 56.500 56.737 -0.237 25150 7226 1 11 . 1 1 104 104 SER CB C 104 66.770 66.770 66.154 0.616 25150 7227 1 11 . 1 1 105 105 VAL N N 105 123.025 123.025 122.060 0.965 25150 7228 1 11 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.677 -0.065 25150 7229 1 11 . 1 1 105 105 VAL C C 105 179.053 179.053 177.522 1.531 25150 7230 1 11 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.875 1.195 25150 7231 1 11 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.695 -0.075 25150 7232 1 11 . 1 1 105 105 VAL H H 105 9.841 9.841 9.598 0.243 25150 7233 1 11 . 1 1 106 106 GLN N N 106 121.218 121.218 120.015 1.203 25150 7234 1 11 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.920 -0.065 25150 7235 1 11 . 1 1 106 106 GLN C C 106 177.698 177.698 178.285 -0.587 25150 7236 1 11 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.740 1.390 25150 7237 1 11 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.451 -0.221 25150 7238 1 11 . 1 1 106 106 GLN H H 106 9.109 9.109 8.173 0.936 25150 7239 1 11 . 1 1 107 107 SER N N 107 115.531 115.531 116.334 -0.803 25150 7240 1 11 . 1 1 107 107 SER C C 107 177.828 177.828 176.844 0.984 25150 7241 1 11 . 1 1 107 107 SER CA C 107 62.500 62.500 62.485 0.015 25150 7242 1 11 . 1 1 107 107 SER CB C 107 62.670 62.670 62.800 -0.130 25150 7243 1 11 . 1 1 107 107 SER H H 107 8.209 8.209 8.164 0.045 25150 7244 1 11 . 1 1 108 108 VAL N N 108 123.756 123.756 122.380 1.376 25150 7245 1 11 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.710 -0.049 25150 7246 1 11 . 1 1 108 108 VAL C C 108 178.087 178.087 177.688 0.399 25150 7247 1 11 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.608 0.362 25150 7248 1 11 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.656 0.054 25150 7249 1 11 . 1 1 108 108 VAL H H 108 8.256 8.256 7.744 0.512 25150 7250 1 11 . 1 1 109 109 CYS N N 109 118.175 118.175 117.998 0.177 25150 7251 1 11 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.242 -0.307 25150 7252 1 11 . 1 1 109 109 CYS C C 109 176.918 176.918 176.939 -0.021 25150 7253 1 11 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.537 1.353 25150 7254 1 11 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.746 1.054 25150 7255 1 11 . 1 1 109 109 CYS H H 109 8.781 8.781 8.429 0.352 25150 7256 1 11 . 1 1 110 110 LEU N N 110 118.491 118.491 120.548 -2.057 25150 7257 1 11 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.027 0.083 25150 7258 1 11 . 1 1 110 110 LEU C C 110 180.150 180.150 179.119 1.031 25150 7259 1 11 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.902 0.578 25150 7260 1 11 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.468 -0.458 25150 7261 1 11 . 1 1 110 110 LEU H H 110 8.543 8.543 8.574 -0.031 25150 7262 1 11 . 1 1 111 111 SER N N 111 117.917 117.917 116.578 1.339 25150 7263 1 11 . 1 1 111 111 SER C C 111 177.009 177.009 176.721 0.288 25150 7264 1 11 . 1 1 111 111 SER CA C 111 63.050 63.050 62.732 0.318 25150 7265 1 11 . 1 1 111 111 SER CB C 111 62.980 62.980 62.748 0.232 25150 7266 1 11 . 1 1 111 111 SER H H 111 8.181 8.181 8.236 -0.055 25150 7267 1 11 . 1 1 112 112 ILE N N 112 124.764 124.764 122.889 1.875 25150 7268 1 11 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.618 0.055 25150 7269 1 11 . 1 1 112 112 ILE C C 112 177.441 177.441 177.646 -0.205 25150 7270 1 11 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.676 -0.246 25150 7271 1 11 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.874 0.076 25150 7272 1 11 . 1 1 112 112 ILE H H 112 8.249 8.249 7.917 0.332 25150 7273 1 11 . 1 1 113 113 ILE N N 113 121.123 121.123 120.897 0.226 25150 7274 1 11 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.561 0.035 25150 7275 1 11 . 1 1 113 113 ILE C C 113 179.525 179.525 178.548 0.977 25150 7276 1 11 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.621 0.639 25150 7277 1 11 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.674 1.106 25150 7278 1 11 . 1 1 113 113 ILE H H 113 8.415 8.415 8.118 0.297 25150 7279 1 11 . 1 1 114 114 SER N N 114 115.247 115.247 115.560 -0.313 25150 7280 1 11 . 1 1 114 114 SER HA H 114 4.300 4.300 4.139 0.161 25150 7281 1 11 . 1 1 114 114 SER C C 114 176.915 176.915 176.321 0.594 25150 7282 1 11 . 1 1 114 114 SER CA C 114 61.510 61.510 62.207 -0.697 25150 7283 1 11 . 1 1 114 114 SER CB C 114 62.990 62.990 62.815 0.175 25150 7284 1 11 . 1 1 114 114 SER H H 114 8.241 8.241 8.327 -0.086 25150 7285 1 11 . 1 1 115 115 MET N N 115 122.921 122.921 123.443 -0.522 25150 7286 1 11 . 1 1 115 115 MET C C 115 179.552 179.552 178.029 1.523 25150 7287 1 11 . 1 1 115 115 MET CA C 115 59.030 59.030 59.284 -0.254 25150 7288 1 11 . 1 1 115 115 MET CB C 115 33.040 33.040 32.496 0.544 25150 7289 1 11 . 1 1 115 115 MET H H 115 8.216 8.216 8.037 0.179 25150 7290 1 11 . 1 1 116 116 LEU N N 116 120.553 120.553 118.620 1.933 25150 7291 1 11 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.902 0.175 25150 7292 1 11 . 1 1 116 116 LEU C C 116 179.264 179.264 179.455 -0.191 25150 7293 1 11 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.122 1.648 25150 7294 1 11 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.413 -0.783 25150 7295 1 11 . 1 1 116 116 LEU H H 116 7.981 7.981 7.802 0.179 25150 7296 1 11 . 1 1 117 117 SER N N 117 114.100 114.100 114.226 -0.126 25150 7297 1 11 . 1 1 117 117 SER HA H 117 4.342 4.342 4.340 0.002 25150 7298 1 11 . 1 1 117 117 SER C C 117 175.042 175.042 175.197 -0.155 25150 7299 1 11 . 1 1 117 117 SER CA C 117 61.700 61.700 61.351 0.349 25150 7300 1 11 . 1 1 117 117 SER CB C 117 63.120 63.120 63.539 -0.419 25150 7301 1 11 . 1 1 117 117 SER H H 117 8.467 8.467 8.123 0.344 25150 7302 1 11 . 1 1 118 118 SER N N 118 113.628 113.628 116.853 -3.225 25150 7303 1 11 . 1 1 118 118 SER HA H 118 4.485 4.485 4.732 -0.247 25150 7304 1 11 . 1 1 118 118 SER C C 118 174.142 174.142 173.512 0.630 25150 7305 1 11 . 1 1 118 118 SER CA C 118 59.000 59.000 56.761 2.239 25150 7306 1 11 . 1 1 118 118 SER CB C 118 64.040 64.040 63.248 0.792 25150 7307 1 11 . 1 1 118 118 SER H H 118 8.037 8.037 8.080 -0.043 25150 7308 1 11 . 1 1 119 119 CYS N N 119 122.293 122.293 125.336 -3.043 25150 7309 1 11 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.668 -0.478 25150 7310 1 11 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.905 -0.635 25150 7311 1 11 . 1 1 119 119 CYS H H 119 7.250 7.250 8.552 -1.302 25150 7312 1 11 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.423 0.117 25150 7313 1 11 . 1 1 120 120 LYS C C 120 176.345 176.345 175.869 0.476 25150 7314 1 11 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.712 9.338 25150 7315 1 11 . 1 1 120 120 LYS CB C 120 33.550 33.550 33.847 -0.297 25150 7316 1 11 . 1 1 121 121 GLU N N 121 120.936 120.936 119.184 1.752 25150 7317 1 11 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.433 -0.204 25150 7318 1 11 . 1 1 121 121 GLU C C 121 174.053 174.053 175.162 -1.109 25150 7319 1 11 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.327 0.863 25150 7320 1 11 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.972 1.718 25150 7321 1 11 . 1 1 121 121 GLU H H 121 7.700 7.700 8.131 -0.431 25150 7322 1 11 . 1 1 122 122 LYS N N 122 127.472 127.472 121.751 5.721 25150 7323 1 11 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.323 -0.461 25150 7324 1 11 . 1 1 122 122 LYS C C 122 174.440 174.440 176.206 -1.766 25150 7325 1 11 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.325 1.956 25150 7326 1 11 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.828 -0.418 25150 7327 1 11 . 1 1 122 122 LYS H H 122 8.890 8.890 8.418 0.472 25150 7328 1 11 . 1 1 123 123 ARG N N 123 123.268 123.268 123.512 -0.244 25150 7329 1 11 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.492 -0.222 25150 7330 1 11 . 1 1 123 123 ARG C C 123 172.653 172.653 175.879 -3.226 25150 7331 1 11 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.496 -0.916 25150 7332 1 11 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.069 0.161 25150 7333 1 11 . 1 1 123 123 ARG H H 123 6.841 6.841 8.468 -1.627 25150 7334 1 11 . 1 1 124 124 ARG N N 124 116.787 116.787 125.147 -8.360 25150 7335 1 11 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.734 -0.025 25150 7336 1 11 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.831 -0.751 25150 7337 1 11 . 1 1 124 124 ARG H H 124 8.044 8.044 8.424 -0.380 25150 7338 1 11 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.831 0.969 25150 7339 1 11 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.342 -0.562 25150 7340 1 11 . 1 1 127 127 ASP N N 127 115.165 115.165 120.189 -5.024 25150 7341 1 11 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.748 0.376 25150 7342 1 11 . 1 1 127 127 ASP C C 127 172.871 172.871 176.022 -3.151 25150 7343 1 11 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.770 -1.100 25150 7344 1 11 . 1 1 127 127 ASP CB C 127 39.140 39.140 41.161 -2.022 25150 7345 1 11 . 1 1 127 127 ASP H H 127 8.711 8.711 8.020 0.691 25150 7346 1 11 . 1 1 128 128 ASN N N 128 127.858 127.858 121.898 5.960 25150 7347 1 11 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.342 1.138 25150 7348 1 11 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.677 -0.117 25150 7349 1 11 . 1 1 128 128 ASN H H 128 8.502 8.502 8.886 -0.384 25150 7350 1 11 . 1 1 129 129 SER C C 129 176.346 176.346 176.239 0.107 25150 7351 1 11 . 1 1 129 129 SER CA C 129 62.330 62.330 61.231 1.099 25150 7352 1 11 . 1 1 130 130 PHE N N 130 121.897 121.897 124.540 -2.643 25150 7353 1 11 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.057 0.063 25150 7354 1 11 . 1 1 130 130 PHE C C 130 177.740 177.740 176.471 1.269 25150 7355 1 11 . 1 1 130 130 PHE CA C 130 60.960 60.960 62.032 -1.073 25150 7356 1 11 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.790 0.970 25150 7357 1 11 . 1 1 130 130 PHE H H 130 8.022 8.022 8.264 -0.241 25150 7358 1 11 . 1 1 131 131 TYR N N 131 122.173 122.173 117.031 5.142 25150 7359 1 11 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.316 -0.570 25150 7360 1 11 . 1 1 131 131 TYR C C 131 178.140 178.140 178.330 -0.190 25150 7361 1 11 . 1 1 131 131 TYR CA C 131 62.290 62.290 60.706 1.584 25150 7362 1 11 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.479 1.061 25150 7363 1 11 . 1 1 131 131 TYR H H 131 8.871 8.871 7.835 1.036 25150 7364 1 11 . 1 1 132 132 VAL N N 132 116.993 116.993 119.342 -2.349 25150 7365 1 11 . 1 1 132 132 VAL C C 132 178.082 178.082 177.288 0.794 25150 7366 1 11 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.496 0.834 25150 7367 1 11 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.688 -0.238 25150 7368 1 11 . 1 1 132 132 VAL H H 132 8.551 8.551 7.480 1.071 25150 7369 1 11 . 1 1 133 133 ARG N N 133 118.860 118.860 118.017 0.843 25150 7370 1 11 . 1 1 133 133 ARG CA C 133 58.980 58.980 57.849 1.131 25150 7371 1 11 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.573 -0.323 25150 7372 1 11 . 1 1 133 133 ARG H H 133 7.545 7.545 8.017 -0.472 25150 7373 1 11 . 1 1 134 134 THR CA C 134 62.280 62.280 61.459 0.821 25150 7374 1 11 . 1 1 134 134 THR CB C 134 69.790 69.790 69.742 0.048 25150 7375 1 11 . 1 1 135 135 CYS N N 135 125.959 125.959 119.211 6.748 25150 7376 1 11 . 1 1 135 135 CYS CA C 135 59.760 59.760 58.693 1.067 25150 7377 1 11 . 1 1 135 135 CYS CB C 135 39.010 39.010 29.294 9.716 25150 7378 1 11 . 1 1 135 135 CYS H H 135 7.881 7.881 8.271 -0.390 25150 7379 1 11 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.785 -0.775 25150 7380 1 11 . 1 1 136 136 ASN C C 136 177.768 177.768 175.171 2.597 25150 7381 1 11 . 1 1 136 136 ASN CA C 136 54.160 54.160 53.002 1.158 25150 7382 1 11 . 1 1 136 136 ASN CB C 136 38.470 38.470 39.248 -0.778 25150 7383 1 11 . 1 1 137 137 LYS N N 137 119.224 119.224 121.667 -2.443 25150 7384 1 11 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.323 -0.127 25150 7385 1 11 . 1 1 137 137 LYS C C 137 176.185 176.185 175.627 0.558 25150 7386 1 11 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.828 0.152 25150 7387 1 11 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.906 -0.036 25150 7388 1 11 . 1 1 137 137 LYS H H 137 7.678 7.678 8.512 -0.834 25150 7389 1 11 . 1 1 138 138 ASN N N 138 117.174 117.174 123.414 -6.240 25150 7390 1 11 . 1 1 138 138 ASN CA C 138 51.530 51.530 52.085 -0.555 25150 7391 1 11 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.953 -0.013 25150 7392 1 11 . 1 1 138 138 ASN H H 138 7.969 7.969 8.717 -0.748 25150 7393 1 11 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.717 -0.319 25150 7394 1 11 . 1 1 139 139 PRO C C 139 177.335 177.335 176.512 0.823 25150 7395 1 11 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.890 0.960 25150 7396 1 11 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.830 -0.720 25150 7397 1 11 . 1 1 140 140 LYS N N 140 118.218 118.218 119.308 -1.090 25150 7398 1 11 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.386 28.264 25150 7399 1 11 . 1 1 140 140 LYS C C 140 176.564 176.564 176.475 0.089 25150 7400 1 11 . 1 1 140 140 LYS CA C 140 56.990 56.990 56.277 0.713 25150 7401 1 11 . 1 1 140 140 LYS H H 140 8.108 8.108 8.515 -0.407 25150 7402 1 11 . 1 1 141 141 LYS N N 141 119.276 119.276 120.719 -1.443 25150 7403 1 11 . 1 1 141 141 LYS C C 141 177.924 177.924 175.754 2.170 25150 7404 1 11 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.645 0.455 25150 7405 1 11 . 1 1 141 141 LYS CB C 141 29.780 29.780 33.789 -4.009 25150 7406 1 11 . 1 1 141 141 LYS H H 141 8.135 8.135 7.635 0.500 25150 7407 1 11 . 1 1 142 142 THR N N 142 115.380 115.380 118.160 -2.780 25150 7408 1 11 . 1 1 142 142 THR CA C 142 61.850 61.850 61.928 -0.078 25150 7409 1 11 . 1 1 142 142 THR CB C 142 69.660 69.660 70.079 -0.419 25150 7410 1 11 . 1 1 142 142 THR H H 142 8.030 8.030 8.314 -0.284 25150 7411 1 11 . 1 1 143 143 LYS C C 143 178.955 178.955 174.433 4.522 25150 7412 1 11 . 1 1 144 144 TRP N N 144 120.470 120.470 123.270 -2.800 25150 7413 1 11 . 1 1 144 144 TRP C C 144 176.557 176.557 174.909 1.648 25150 7414 1 11 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.664 1.206 25150 7415 1 11 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.778 3.222 25150 7416 1 11 . 1 1 144 144 TRP H H 144 8.094 8.094 7.961 0.133 25150 7417 1 11 . 1 1 145 145 TRP N N 145 120.330 120.330 125.567 -5.237 25150 7418 1 11 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.414 1.706 25150 7419 1 11 . 1 1 145 145 TRP CB C 145 32.850 32.850 31.058 1.792 25150 7420 1 11 . 1 1 145 145 TRP H H 145 8.488 8.488 7.542 0.946 25150 7421 1 11 . 1 1 146 146 TYR C C 146 174.706 174.706 175.496 -0.790 25150 7422 1 11 . 1 1 146 146 TYR CA C 146 57.430 57.430 56.556 0.874 25150 7423 1 11 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.107 0.633 25150 7424 1 11 . 1 1 147 147 HIS N N 147 121.604 121.604 121.196 0.408 25150 7425 1 11 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.816 -0.630 25150 7426 1 11 . 1 1 147 147 HIS C C 147 176.874 176.874 174.707 2.167 25150 7427 1 11 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.868 -0.628 25150 7428 1 11 . 1 1 147 147 HIS CB C 147 31.200 31.200 27.788 3.412 25150 7429 1 11 . 1 1 147 147 HIS H H 147 7.886 7.886 8.249 -0.363 25150 7430 1 11 . 1 1 148 148 ASP N N 148 122.629 122.629 121.305 1.324 25150 7431 1 11 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.751 -0.207 25150 7432 1 11 . 1 1 148 148 ASP C C 148 175.661 175.661 176.865 -1.204 25150 7433 1 11 . 1 1 148 148 ASP CA C 148 54.180 54.180 56.052 -1.872 25150 7434 1 11 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.594 0.086 25150 7435 1 11 . 1 1 148 148 ASP H H 148 8.109 8.109 8.157 -0.048 25150 7436 1 11 . 1 1 149 149 ASP N N 149 121.321 121.321 118.120 3.201 25150 7437 1 11 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.822 -0.168 25150 7438 1 11 . 1 1 149 149 ASP C C 149 176.551 176.551 176.317 0.234 25150 7439 1 11 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.481 0.129 25150 7440 1 11 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.286 0.074 25150 7441 1 11 . 1 1 149 149 ASP H H 149 8.395 8.395 8.874 -0.479 25150 7442 1 11 . 1 1 150 150 THR N N 150 113.450 113.450 112.615 0.835 25150 7443 1 11 . 1 1 150 150 THR HA H 150 4.296 4.296 4.266 0.030 25150 7444 1 11 . 1 1 150 150 THR C C 150 173.994 173.994 174.042 -0.048 25150 7445 1 11 . 1 1 150 150 THR CA C 150 62.310 62.310 61.216 1.094 25150 7446 1 11 . 1 1 150 150 THR CB C 150 69.870 69.870 69.780 0.090 25150 7447 1 11 . 1 1 150 150 THR H H 150 8.259 8.259 7.807 0.452 25150 7448 1 12 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.306 -0.012 25150 7449 1 12 . 1 1 6 6 LYS C C 6 176.970 176.970 179.161 -2.191 25150 7450 1 12 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.495 -1.125 25150 7451 1 12 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.325 0.155 25150 7452 1 12 . 1 1 7 7 ARG N N 7 119.704 119.704 120.163 -0.459 25150 7453 1 12 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.134 0.064 25150 7454 1 12 . 1 1 7 7 ARG C C 7 178.270 178.270 178.501 -0.231 25150 7455 1 12 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.498 0.532 25150 7456 1 12 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.620 -1.060 25150 7457 1 12 . 1 1 7 7 ARG H H 7 8.599 8.599 7.913 0.686 25150 7458 1 12 . 1 1 8 8 LEU N N 8 119.704 119.704 120.847 -1.143 25150 7459 1 12 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.105 -0.015 25150 7460 1 12 . 1 1 8 8 LEU C C 8 178.980 178.980 178.611 0.369 25150 7461 1 12 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.158 0.132 25150 7462 1 12 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.613 0.447 25150 7463 1 12 . 1 1 8 8 LEU H H 8 8.599 8.599 7.993 0.606 25150 7464 1 12 . 1 1 9 9 GLN N N 9 117.512 117.512 118.204 -0.692 25150 7465 1 12 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.980 0.057 25150 7466 1 12 . 1 1 9 9 GLN C C 9 178.610 178.610 178.686 -0.076 25150 7467 1 12 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.362 -0.052 25150 7468 1 12 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.526 -0.046 25150 7469 1 12 . 1 1 9 9 GLN H H 9 8.066 8.066 8.397 -0.331 25150 7470 1 12 . 1 1 10 10 LYS N N 10 119.556 119.556 119.865 -0.309 25150 7471 1 12 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.984 0.096 25150 7472 1 12 . 1 1 10 10 LYS C C 10 180.040 180.040 179.157 0.883 25150 7473 1 12 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.785 -0.105 25150 7474 1 12 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.280 0.180 25150 7475 1 12 . 1 1 10 10 LYS H H 10 7.678 7.678 8.251 -0.573 25150 7476 1 12 . 1 1 11 11 GLU N N 11 120.347 120.347 120.311 0.036 25150 7477 1 12 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.179 -0.003 25150 7478 1 12 . 1 1 11 11 GLU C C 11 178.770 178.770 178.749 0.021 25150 7479 1 12 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.007 2.033 25150 7480 1 12 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.482 1.178 25150 7481 1 12 . 1 1 11 11 GLU H H 11 8.533 8.533 8.048 0.485 25150 7482 1 12 . 1 1 12 12 LEU N N 12 123.285 123.285 121.733 1.552 25150 7483 1 12 . 1 1 12 12 LEU C C 12 178.570 178.570 178.504 0.066 25150 7484 1 12 . 1 1 12 12 LEU CA C 12 58.120 58.120 58.157 -0.037 25150 7485 1 12 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.798 -0.718 25150 7486 1 12 . 1 1 12 12 LEU H H 12 8.685 8.685 8.319 0.367 25150 7487 1 12 . 1 1 13 13 LEU N N 13 118.881 118.881 117.769 1.112 25150 7488 1 12 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.836 0.161 25150 7489 1 12 . 1 1 13 13 LEU C C 13 179.260 179.260 178.697 0.563 25150 7490 1 12 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.781 0.119 25150 7491 1 12 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.214 0.676 25150 7492 1 12 . 1 1 13 13 LEU H H 13 7.588 7.588 8.073 -0.485 25150 7493 1 12 . 1 1 14 14 ALA N N 14 120.667 120.667 122.618 -1.951 25150 7494 1 12 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.997 0.193 25150 7495 1 12 . 1 1 14 14 ALA C C 14 176.270 176.270 179.732 -3.462 25150 7496 1 12 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.231 -0.041 25150 7497 1 12 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.192 -0.162 25150 7498 1 12 . 1 1 14 14 ALA H H 14 7.617 7.617 8.061 -0.444 25150 7499 1 12 . 1 1 15 15 LEU N N 15 119.965 119.965 117.160 2.805 25150 7500 1 12 . 1 1 15 15 LEU CA C 15 57.450 57.450 56.631 0.819 25150 7501 1 12 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.704 0.556 25150 7502 1 12 . 1 1 15 15 LEU H H 15 7.726 7.726 7.828 -0.102 25150 7503 1 12 . 1 1 16 16 GLN N N 16 115.381 115.381 116.029 -0.648 25150 7504 1 12 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.098 -0.120 25150 7505 1 12 . 1 1 16 16 GLN C C 16 177.950 177.950 177.727 0.223 25150 7506 1 12 . 1 1 16 16 GLN CA C 16 58.460 58.460 57.573 0.887 25150 7507 1 12 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.787 1.003 25150 7508 1 12 . 1 1 16 16 GLN H H 16 8.028 8.028 7.938 0.090 25150 7509 1 12 . 1 1 17 17 ASN N N 17 114.975 114.975 116.823 -1.848 25150 7510 1 12 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.650 -0.020 25150 7511 1 12 . 1 1 17 17 ASN C C 17 175.303 175.303 174.933 0.370 25150 7512 1 12 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.737 0.143 25150 7513 1 12 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.381 0.469 25150 7514 1 12 . 1 1 17 17 ASN H H 17 8.136 8.136 8.052 0.084 25150 7515 1 12 . 1 1 18 18 ASP N N 18 119.698 119.698 118.350 1.348 25150 7516 1 12 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.664 0.795 25150 7517 1 12 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.440 -0.930 25150 7518 1 12 . 1 1 18 18 ASP H H 18 8.218 8.218 8.116 0.102 25150 7519 1 12 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.346 -0.031 25150 7520 1 12 . 1 1 21 21 PRO C C 21 177.867 177.867 177.921 -0.054 25150 7521 1 12 . 1 1 21 21 PRO CA C 21 63.820 63.820 63.925 -0.105 25150 7522 1 12 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.975 -0.405 25150 7523 1 12 . 1 1 22 22 GLY N N 22 111.293 111.293 112.550 -1.257 25150 7524 1 12 . 1 1 22 22 GLY C C 22 174.342 174.342 173.344 0.998 25150 7525 1 12 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.128 0.862 25150 7526 1 12 . 1 1 22 22 GLY H H 22 8.506 8.506 8.661 -0.155 25150 7527 1 12 . 1 1 23 23 MET N N 23 118.966 118.966 118.762 0.204 25150 7528 1 12 . 1 1 23 23 MET HA H 23 5.699 5.699 5.674 0.025 25150 7529 1 12 . 1 1 23 23 MET C C 23 175.386 175.386 174.208 1.178 25150 7530 1 12 . 1 1 23 23 MET CA C 23 55.270 55.270 54.813 0.457 25150 7531 1 12 . 1 1 23 23 MET CB C 23 35.890 35.890 36.633 -0.743 25150 7532 1 12 . 1 1 23 23 MET H H 23 8.017 8.017 7.838 0.179 25150 7533 1 12 . 1 1 24 24 THR N N 24 112.647 112.647 117.031 -4.384 25150 7534 1 12 . 1 1 24 24 THR HA H 24 4.596 4.596 4.651 -0.055 25150 7535 1 12 . 1 1 24 24 THR C C 24 173.407 173.407 172.402 1.005 25150 7536 1 12 . 1 1 24 24 THR CA C 24 60.850 60.850 60.734 0.116 25150 7537 1 12 . 1 1 24 24 THR CB C 24 72.360 72.360 72.338 0.022 25150 7538 1 12 . 1 1 24 24 THR H H 24 8.565 8.565 8.915 -0.350 25150 7539 1 12 . 1 1 25 25 LEU N N 25 126.920 126.920 126.958 -0.038 25150 7540 1 12 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.744 -0.448 25150 7541 1 12 . 1 1 25 25 LEU C C 25 175.624 175.624 174.982 0.642 25150 7542 1 12 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.654 2.516 25150 7543 1 12 . 1 1 25 25 LEU CB C 25 42.710 42.710 43.572 -0.862 25150 7544 1 12 . 1 1 25 25 LEU H H 25 9.189 9.189 8.474 0.715 25150 7545 1 12 . 1 1 26 26 ASN N N 26 127.108 127.108 125.399 1.709 25150 7546 1 12 . 1 1 26 26 ASN C C 26 173.783 173.783 173.779 0.004 25150 7547 1 12 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.520 1.580 25150 7548 1 12 . 1 1 26 26 ASN CB C 26 40.370 40.370 41.194 -0.824 25150 7549 1 12 . 1 1 26 26 ASN H H 26 9.000 9.000 9.054 -0.054 25150 7550 1 12 . 1 1 27 27 GLU N N 27 108.990 108.990 122.355 -13.365 25150 7551 1 12 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.452 1.159 25150 7552 1 12 . 1 1 27 27 GLU H H 27 7.631 7.631 8.492 -0.861 25150 7553 1 12 . 1 1 30 30 VAL C C 30 177.011 177.011 176.034 0.977 25150 7554 1 12 . 1 1 30 30 VAL CA C 30 55.230 55.230 61.664 -6.434 25150 7555 1 12 . 1 1 30 30 VAL CB C 30 30.860 30.860 31.369 -0.509 25150 7556 1 12 . 1 1 31 31 GLN N N 31 125.960 125.960 127.126 -1.166 25150 7557 1 12 . 1 1 31 31 GLN CA C 31 58.430 58.430 59.171 -0.741 25150 7558 1 12 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.909 0.221 25150 7559 1 12 . 1 1 31 31 GLN H H 31 7.880 7.880 8.521 -0.641 25150 7560 1 12 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.422 0.238 25150 7561 1 12 . 1 1 34 34 ILE C C 34 178.642 178.642 174.722 3.920 25150 7562 1 12 . 1 1 34 34 ILE CA C 34 54.970 54.970 61.647 -6.676 25150 7563 1 12 . 1 1 34 34 ILE CB C 34 42.000 42.000 40.248 1.752 25150 7564 1 12 . 1 1 35 35 THR N N 35 110.980 110.980 118.456 -7.476 25150 7565 1 12 . 1 1 35 35 THR CA C 35 61.070 61.070 61.706 -0.637 25150 7566 1 12 . 1 1 35 35 THR CB C 35 69.090 69.090 69.515 -0.425 25150 7567 1 12 . 1 1 35 35 THR H H 35 7.825 7.825 8.363 -0.538 25150 7568 1 12 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.149 0.475 25150 7569 1 12 . 1 1 36 36 GLN C C 36 174.178 174.178 174.558 -0.380 25150 7570 1 12 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.218 0.872 25150 7571 1 12 . 1 1 36 36 GLN CB C 36 32.290 32.290 32.247 0.043 25150 7572 1 12 . 1 1 37 37 TRP N N 37 123.942 123.942 121.104 2.838 25150 7573 1 12 . 1 1 37 37 TRP HA H 37 5.576 5.576 4.944 0.632 25150 7574 1 12 . 1 1 37 37 TRP C C 37 174.959 174.959 176.179 -1.220 25150 7575 1 12 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.246 -0.616 25150 7576 1 12 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.715 1.235 25150 7577 1 12 . 1 1 37 37 TRP H H 37 9.242 9.242 8.757 0.485 25150 7578 1 12 . 1 1 38 38 ILE N N 38 121.559 121.559 122.290 -0.731 25150 7579 1 12 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.887 0.392 25150 7580 1 12 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.851 -1.421 25150 7581 1 12 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.474 -0.234 25150 7582 1 12 . 1 1 38 38 ILE H H 38 8.778 8.778 8.859 -0.081 25150 7583 1 12 . 1 1 39 39 VAL N N 39 128.719 128.719 129.014 -0.295 25150 7584 1 12 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.901 -0.320 25150 7585 1 12 . 1 1 39 39 VAL C C 39 175.175 175.175 174.775 0.400 25150 7586 1 12 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.765 0.485 25150 7587 1 12 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.347 1.503 25150 7588 1 12 . 1 1 39 39 VAL H H 39 9.533 9.533 9.351 0.182 25150 7589 1 12 . 1 1 40 40 ASP N N 40 128.451 128.451 128.721 -0.270 25150 7590 1 12 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.820 -0.602 25150 7591 1 12 . 1 1 40 40 ASP C C 40 175.157 175.157 175.533 -0.376 25150 7592 1 12 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.068 2.243 25150 7593 1 12 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.656 -1.156 25150 7594 1 12 . 1 1 40 40 ASP H H 40 9.165 9.165 8.794 0.371 25150 7595 1 12 . 1 1 41 41 MET N N 41 120.544 120.544 117.210 3.334 25150 7596 1 12 . 1 1 41 41 MET HA H 41 5.467 5.467 5.584 -0.117 25150 7597 1 12 . 1 1 41 41 MET C C 41 173.590 173.590 173.878 -0.288 25150 7598 1 12 . 1 1 41 41 MET CA C 41 54.610 54.610 54.388 0.222 25150 7599 1 12 . 1 1 41 41 MET CB C 41 37.490 37.490 38.081 -0.591 25150 7600 1 12 . 1 1 41 41 MET H H 41 8.756 8.756 9.138 -0.382 25150 7601 1 12 . 1 1 42 42 GLU N N 42 125.740 125.740 121.637 4.103 25150 7602 1 12 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.265 -0.255 25150 7603 1 12 . 1 1 42 42 GLU C C 42 177.323 177.323 177.382 -0.059 25150 7604 1 12 . 1 1 42 42 GLU CA C 42 54.480 54.480 53.961 0.519 25150 7605 1 12 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.359 -1.099 25150 7606 1 12 . 1 1 42 42 GLU H H 42 8.706 8.706 8.469 0.237 25150 7607 1 12 . 1 1 43 43 GLY N N 43 111.314 111.314 112.991 -1.677 25150 7608 1 12 . 1 1 43 43 GLY C C 43 174.121 174.121 174.238 -0.117 25150 7609 1 12 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.578 -0.188 25150 7610 1 12 . 1 1 43 43 GLY H H 43 8.917 8.917 8.792 0.125 25150 7611 1 12 . 1 1 44 44 ALA N N 44 128.665 128.665 128.856 -0.191 25150 7612 1 12 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.634 0.426 25150 7613 1 12 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.808 -0.338 25150 7614 1 12 . 1 1 44 44 ALA H H 44 8.918 8.918 8.448 0.470 25150 7615 1 12 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.126 0.174 25150 7616 1 12 . 1 1 45 45 PRO C C 45 177.598 177.598 177.502 0.096 25150 7617 1 12 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.617 -1.207 25150 7618 1 12 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.250 0.541 25150 7619 1 12 . 1 1 46 46 GLY N N 46 111.319 111.319 113.279 -1.960 25150 7620 1 12 . 1 1 46 46 GLY C C 46 174.290 174.290 174.769 -0.479 25150 7621 1 12 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.235 0.675 25150 7622 1 12 . 1 1 46 46 GLY H H 46 9.449 9.449 9.318 0.131 25150 7623 1 12 . 1 1 47 47 THR N N 47 107.981 107.981 112.512 -4.531 25150 7624 1 12 . 1 1 47 47 THR HA H 47 4.801 4.801 4.625 0.176 25150 7625 1 12 . 1 1 47 47 THR C C 47 176.158 176.158 176.068 0.090 25150 7626 1 12 . 1 1 47 47 THR CA C 47 60.380 60.380 59.738 0.642 25150 7627 1 12 . 1 1 47 47 THR CB C 47 73.420 73.420 71.064 2.356 25150 7628 1 12 . 1 1 47 47 THR H H 47 7.426 7.426 7.607 -0.181 25150 7629 1 12 . 1 1 48 48 LEU N N 48 119.132 119.132 120.885 -1.753 25150 7630 1 12 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.175 -0.118 25150 7631 1 12 . 1 1 48 48 LEU C C 48 175.907 175.907 177.257 -1.350 25150 7632 1 12 . 1 1 48 48 LEU CA C 48 56.490 56.490 57.130 -0.640 25150 7633 1 12 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.784 -0.164 25150 7634 1 12 . 1 1 48 48 LEU H H 48 8.966 8.966 8.744 0.222 25150 7635 1 12 . 1 1 49 49 TYR N N 49 113.649 113.649 115.497 -1.848 25150 7636 1 12 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.840 -0.015 25150 7637 1 12 . 1 1 49 49 TYR C C 49 174.634 174.634 175.424 -0.790 25150 7638 1 12 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.677 -0.567 25150 7639 1 12 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.113 -0.723 25150 7640 1 12 . 1 1 49 49 TYR H H 49 7.205 7.205 7.767 -0.562 25150 7641 1 12 . 1 1 50 50 GLU N N 50 122.006 122.006 121.804 0.202 25150 7642 1 12 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.070 -0.593 25150 7643 1 12 . 1 1 50 50 GLU C C 50 177.182 177.182 177.893 -0.711 25150 7644 1 12 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.223 -0.123 25150 7645 1 12 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.290 0.750 25150 7646 1 12 . 1 1 50 50 GLU H H 50 6.934 6.934 7.623 -0.689 25150 7647 1 12 . 1 1 51 51 GLY N N 51 115.165 115.165 115.747 -0.582 25150 7648 1 12 . 1 1 51 51 GLY C C 51 173.997 173.997 173.985 0.012 25150 7649 1 12 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.867 0.633 25150 7650 1 12 . 1 1 51 51 GLY H H 51 8.752 8.752 8.817 -0.065 25150 7651 1 12 . 1 1 52 52 GLU N N 52 120.251 120.251 122.000 -1.749 25150 7652 1 12 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.253 -0.283 25150 7653 1 12 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.868 0.572 25150 7654 1 12 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.949 1.751 25150 7655 1 12 . 1 1 52 52 GLU H H 52 7.900 7.900 8.049 -0.149 25150 7656 1 12 . 1 1 53 53 LYS N N 53 120.435 120.435 125.749 -5.314 25150 7657 1 12 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.970 -0.284 25150 7658 1 12 . 1 1 53 53 LYS C C 53 175.285 175.285 175.717 -0.432 25150 7659 1 12 . 1 1 53 53 LYS CA C 53 55.380 55.380 56.086 -0.706 25150 7660 1 12 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.364 0.696 25150 7661 1 12 . 1 1 53 53 LYS H H 53 8.046 8.046 8.331 -0.285 25150 7662 1 12 . 1 1 54 54 PHE N N 54 122.724 122.724 124.694 -1.970 25150 7663 1 12 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.891 0.629 25150 7664 1 12 . 1 1 54 54 PHE C C 54 175.151 175.151 174.421 0.730 25150 7665 1 12 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.816 -2.126 25150 7666 1 12 . 1 1 54 54 PHE CB C 54 43.600 43.600 43.535 0.065 25150 7667 1 12 . 1 1 54 54 PHE H H 54 9.082 9.082 9.153 -0.071 25150 7668 1 12 . 1 1 55 55 GLN N N 55 121.971 121.971 121.666 0.305 25150 7669 1 12 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.523 -0.172 25150 7670 1 12 . 1 1 55 55 GLN C C 55 173.802 173.802 174.095 -0.293 25150 7671 1 12 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.799 1.401 25150 7672 1 12 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.639 1.681 25150 7673 1 12 . 1 1 55 55 GLN H H 55 10.001 10.001 8.936 1.065 25150 7674 1 12 . 1 1 56 56 LEU N N 56 124.898 124.898 126.188 -1.290 25150 7675 1 12 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.278 -0.586 25150 7676 1 12 . 1 1 56 56 LEU C C 56 174.265 174.265 175.519 -1.254 25150 7677 1 12 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.118 0.302 25150 7678 1 12 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.227 1.463 25150 7679 1 12 . 1 1 56 56 LEU H H 56 9.573 9.573 9.143 0.430 25150 7680 1 12 . 1 1 57 57 LEU N N 57 124.234 124.234 120.168 4.066 25150 7681 1 12 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.497 -0.327 25150 7682 1 12 . 1 1 57 57 LEU C C 57 174.551 174.551 175.846 -1.295 25150 7683 1 12 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.113 0.557 25150 7684 1 12 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.833 0.687 25150 7685 1 12 . 1 1 57 57 LEU H H 57 8.890 8.890 8.846 0.044 25150 7686 1 12 . 1 1 58 58 PHE N N 58 124.003 124.003 121.257 2.746 25150 7687 1 12 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.840 -0.090 25150 7688 1 12 . 1 1 58 58 PHE C C 58 174.407 174.407 174.463 -0.056 25150 7689 1 12 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.056 -0.056 25150 7690 1 12 . 1 1 58 58 PHE CB C 58 42.940 42.940 39.919 3.022 25150 7691 1 12 . 1 1 58 58 PHE H H 58 9.134 9.134 9.076 0.058 25150 7692 1 12 . 1 1 59 59 LYS N N 59 120.089 120.089 124.105 -4.016 25150 7693 1 12 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.499 0.384 25150 7694 1 12 . 1 1 59 59 LYS C C 59 175.192 175.192 175.001 0.191 25150 7695 1 12 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.565 -0.745 25150 7696 1 12 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.391 2.139 25150 7697 1 12 . 1 1 59 59 LYS H H 59 8.732 8.732 8.557 0.175 25150 7698 1 12 . 1 1 60 60 PHE N N 60 123.988 123.988 126.866 -2.878 25150 7699 1 12 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.307 -0.003 25150 7700 1 12 . 1 1 60 60 PHE C C 60 174.636 174.636 175.333 -0.697 25150 7701 1 12 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.473 -0.223 25150 7702 1 12 . 1 1 60 60 PHE CB C 60 41.160 41.160 39.303 1.857 25150 7703 1 12 . 1 1 60 60 PHE H H 60 8.649 8.649 8.633 0.016 25150 7704 1 12 . 1 1 61 61 SER N N 61 117.599 117.599 119.081 -1.482 25150 7705 1 12 . 1 1 61 61 SER C C 61 174.771 174.771 176.298 -1.527 25150 7706 1 12 . 1 1 61 61 SER CA C 61 57.130 57.130 57.784 -0.654 25150 7707 1 12 . 1 1 61 61 SER CB C 61 66.030 66.030 64.422 1.607 25150 7708 1 12 . 1 1 61 61 SER H H 61 8.066 8.066 8.360 -0.294 25150 7709 1 12 . 1 1 62 62 SER N N 62 119.994 119.994 123.897 -3.903 25150 7710 1 12 . 1 1 62 62 SER CA C 62 61.650 61.650 60.287 1.363 25150 7711 1 12 . 1 1 62 62 SER H H 62 8.265 8.265 8.888 -0.623 25150 7712 1 12 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.445 0.005 25150 7713 1 12 . 1 1 63 63 ARG C C 63 175.086 175.086 175.893 -0.807 25150 7714 1 12 . 1 1 63 63 ARG CA C 63 57.670 57.670 55.944 1.726 25150 7715 1 12 . 1 1 63 63 ARG CB C 63 30.050 30.050 31.158 -1.108 25150 7716 1 12 . 1 1 64 64 TYR N N 64 120.957 120.957 123.989 -3.032 25150 7717 1 12 . 1 1 64 64 TYR CA C 64 59.680 59.680 57.966 1.714 25150 7718 1 12 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.399 -0.679 25150 7719 1 12 . 1 1 64 64 TYR H H 64 7.471 7.471 7.716 -0.245 25150 7720 1 12 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.884 -0.214 25150 7721 1 12 . 1 1 65 65 PRO C C 65 174.345 174.345 175.429 -1.084 25150 7722 1 12 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.191 1.269 25150 7723 1 12 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.404 1.966 25150 7724 1 12 . 1 1 66 66 PHE N N 66 126.070 126.070 119.870 6.200 25150 7725 1 12 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.327 -0.084 25150 7726 1 12 . 1 1 66 66 PHE C C 66 175.867 175.867 174.862 1.005 25150 7727 1 12 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.644 0.436 25150 7728 1 12 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.598 -1.588 25150 7729 1 12 . 1 1 66 66 PHE H H 66 8.630 8.630 8.120 0.510 25150 7730 1 12 . 1 1 67 67 ASP N N 67 118.021 118.021 118.042 -0.021 25150 7731 1 12 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.755 -0.796 25150 7732 1 12 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.099 -47.469 25150 7733 1 12 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.803 -7.963 25150 7734 1 12 . 1 1 67 67 ASP H H 67 7.126 7.126 8.158 -1.032 25150 7735 1 12 . 1 1 68 68 SER N N 68 120.730 120.730 114.908 5.822 25150 7736 1 12 . 1 1 68 68 SER CA C 68 55.750 55.750 54.812 0.938 25150 7737 1 12 . 1 1 68 68 SER CB C 68 61.900 61.900 62.715 -0.815 25150 7738 1 12 . 1 1 68 68 SER H H 68 8.091 8.091 7.948 0.143 25150 7739 1 12 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.262 0.094 25150 7740 1 12 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.075 0.005 25150 7741 1 12 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.252 0.458 25150 7742 1 12 . 1 1 70 70 GLN N N 70 119.493 119.493 120.835 -1.342 25150 7743 1 12 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.009 0.061 25150 7744 1 12 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.875 1.615 25150 7745 1 12 . 1 1 70 70 GLN H H 70 8.049 8.049 8.004 0.045 25150 7746 1 12 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.717 -0.317 25150 7747 1 12 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.422 -0.612 25150 7748 1 12 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.889 -0.049 25150 7749 1 12 . 1 1 72 72 MET N N 72 120.767 120.767 120.375 0.392 25150 7750 1 12 . 1 1 72 72 MET HA H 72 4.731 4.731 4.964 -0.233 25150 7751 1 12 . 1 1 72 72 MET C C 72 174.779 174.779 173.997 0.782 25150 7752 1 12 . 1 1 72 72 MET CA C 72 54.390 54.390 54.285 0.105 25150 7753 1 12 . 1 1 72 72 MET CB C 72 36.140 36.140 36.671 -0.531 25150 7754 1 12 . 1 1 72 72 MET H H 72 8.245 8.245 8.249 -0.004 25150 7755 1 12 . 1 1 73 73 PHE N N 73 120.458 120.458 119.171 1.287 25150 7756 1 12 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.502 -0.288 25150 7757 1 12 . 1 1 73 73 PHE C C 73 175.404 175.404 176.297 -0.893 25150 7758 1 12 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.157 1.423 25150 7759 1 12 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.597 0.023 25150 7760 1 12 . 1 1 73 73 PHE H H 73 9.193 9.193 8.663 0.530 25150 7761 1 12 . 1 1 74 74 THR N N 74 113.842 113.842 115.416 -1.574 25150 7762 1 12 . 1 1 74 74 THR HA H 74 4.777 4.777 4.707 0.070 25150 7763 1 12 . 1 1 74 74 THR C C 74 173.551 173.551 173.449 0.102 25150 7764 1 12 . 1 1 74 74 THR CA C 74 59.580 59.580 60.842 -1.262 25150 7765 1 12 . 1 1 74 74 THR CB C 74 71.300 71.300 71.258 0.042 25150 7766 1 12 . 1 1 74 74 THR H H 74 8.894 8.894 8.835 0.059 25150 7767 1 12 . 1 1 75 75 GLY N N 75 109.259 109.259 111.555 -2.296 25150 7768 1 12 . 1 1 75 75 GLY C C 75 173.980 173.980 174.046 -0.066 25150 7769 1 12 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.780 -0.070 25150 7770 1 12 . 1 1 75 75 GLY H H 75 8.058 8.058 7.777 0.281 25150 7771 1 12 . 1 1 76 76 GLU N N 76 116.661 116.661 118.099 -1.438 25150 7772 1 12 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.184 -0.043 25150 7773 1 12 . 1 1 76 76 GLU C C 76 176.624 176.624 175.844 0.780 25150 7774 1 12 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.502 0.538 25150 7775 1 12 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.666 1.244 25150 7776 1 12 . 1 1 76 76 GLU H H 76 8.356 8.356 8.530 -0.174 25150 7777 1 12 . 1 1 77 77 ASN N N 77 118.469 118.469 118.565 -0.096 25150 7778 1 12 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.808 0.302 25150 7779 1 12 . 1 1 77 77 ASN C C 77 176.525 176.525 173.533 2.992 25150 7780 1 12 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.865 -0.625 25150 7781 1 12 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.246 0.464 25150 7782 1 12 . 1 1 77 77 ASN H H 77 8.614 8.614 8.201 0.413 25150 7783 1 12 . 1 1 78 78 ILE N N 78 117.605 117.605 123.702 -6.097 25150 7784 1 12 . 1 1 78 78 ILE CA C 78 59.390 59.390 59.225 0.165 25150 7785 1 12 . 1 1 78 78 ILE CB C 78 41.640 41.640 38.606 3.034 25150 7786 1 12 . 1 1 78 78 ILE H H 78 7.736 7.736 8.175 -0.439 25150 7787 1 12 . 1 1 79 79 PRO C C 79 176.134 176.134 175.926 0.208 25150 7788 1 12 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.967 0.863 25150 7789 1 12 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.275 -1.115 25150 7790 1 12 . 1 1 80 80 VAL N N 80 123.378 123.378 120.786 2.592 25150 7791 1 12 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.776 0.054 25150 7792 1 12 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.933 -2.013 25150 7793 1 12 . 1 1 80 80 VAL H H 80 8.297 8.297 8.477 -0.180 25150 7794 1 12 . 1 1 82 82 PRO C C 82 176.169 176.169 176.107 0.062 25150 7795 1 12 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.476 0.234 25150 7796 1 12 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.697 -0.027 25150 7797 1 12 . 1 1 83 83 HIS N N 83 121.199 121.199 112.761 8.438 25150 7798 1 12 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.765 0.076 25150 7799 1 12 . 1 1 83 83 HIS C C 83 173.457 173.457 173.769 -0.312 25150 7800 1 12 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.081 -0.401 25150 7801 1 12 . 1 1 83 83 HIS CB C 83 31.230 31.230 31.130 0.100 25150 7802 1 12 . 1 1 83 83 HIS H H 83 10.996 10.996 8.625 2.371 25150 7803 1 12 . 1 1 84 84 VAL N N 84 121.050 121.050 121.611 -0.561 25150 7804 1 12 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.959 -0.182 25150 7805 1 12 . 1 1 84 84 VAL C C 84 175.155 175.155 174.525 0.630 25150 7806 1 12 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.930 0.170 25150 7807 1 12 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.935 0.175 25150 7808 1 12 . 1 1 84 84 VAL H H 84 8.058 8.058 7.717 0.341 25150 7809 1 12 . 1 1 85 85 TYR N N 85 126.195 126.195 124.607 1.588 25150 7810 1 12 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.792 -0.107 25150 7811 1 12 . 1 1 85 85 TYR C C 85 179.268 179.268 177.544 1.724 25150 7812 1 12 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.365 2.025 25150 7813 1 12 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.416 0.854 25150 7814 1 12 . 1 1 85 85 TYR H H 85 9.136 9.136 9.015 0.121 25150 7815 1 12 . 1 1 86 86 SER N N 86 115.546 115.546 116.963 -1.417 25150 7816 1 12 . 1 1 86 86 SER HA H 86 3.935 3.935 4.182 -0.247 25150 7817 1 12 . 1 1 86 86 SER C C 86 174.309 174.309 174.784 -0.475 25150 7818 1 12 . 1 1 86 86 SER CA C 86 61.890 61.890 60.409 1.481 25150 7819 1 12 . 1 1 86 86 SER CB C 86 62.230 62.230 63.311 -1.081 25150 7820 1 12 . 1 1 86 86 SER H H 86 10.052 10.052 8.899 1.153 25150 7821 1 12 . 1 1 87 87 ASN N N 87 116.470 116.470 115.855 0.615 25150 7822 1 12 . 1 1 87 87 ASN C C 87 175.624 175.624 175.811 -0.187 25150 7823 1 12 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.444 -0.104 25150 7824 1 12 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.893 -0.403 25150 7825 1 12 . 1 1 87 87 ASN H H 87 7.331 7.331 8.070 -0.739 25150 7826 1 12 . 1 1 88 88 GLY N N 88 108.412 108.412 107.955 0.457 25150 7827 1 12 . 1 1 88 88 GLY C C 88 174.247 174.247 174.113 0.134 25150 7828 1 12 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.231 0.679 25150 7829 1 12 . 1 1 88 88 GLY H H 88 8.737 8.737 8.420 0.317 25150 7830 1 12 . 1 1 89 89 HIS N N 89 119.508 119.508 122.564 -3.056 25150 7831 1 12 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.583 -1.283 25150 7832 1 12 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.561 1.298 25150 7833 1 12 . 1 1 89 89 HIS H H 89 7.494 7.494 8.664 -1.170 25150 7834 1 12 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.805 -0.391 25150 7835 1 12 . 1 1 90 90 ILE C C 90 174.510 174.510 175.782 -1.272 25150 7836 1 12 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.015 -1.695 25150 7837 1 12 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.818 -0.538 25150 7838 1 12 . 1 1 91 91 CYS N N 91 123.587 123.587 129.085 -5.498 25150 7839 1 12 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.539 5.041 25150 7840 1 12 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.734 6.656 25150 7841 1 12 . 1 1 91 91 CYS H H 91 7.304 7.304 8.874 -1.570 25150 7842 1 12 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.771 -0.101 25150 7843 1 12 . 1 1 92 92 LEU C C 92 175.822 175.822 176.588 -0.766 25150 7844 1 12 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.983 5.477 25150 7845 1 12 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.838 -4.418 25150 7846 1 12 . 1 1 93 93 SER N N 93 111.707 111.707 124.227 -12.520 25150 7847 1 12 . 1 1 93 93 SER HA H 93 4.331 4.331 4.324 0.007 25150 7848 1 12 . 1 1 93 93 SER C C 93 177.433 177.433 175.829 1.604 25150 7849 1 12 . 1 1 93 93 SER CA C 93 62.150 62.150 60.803 1.347 25150 7850 1 12 . 1 1 93 93 SER H H 93 9.037 9.037 8.856 0.181 25150 7851 1 12 . 1 1 94 94 ILE N N 94 118.993 118.993 115.040 3.953 25150 7852 1 12 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.127 169.411 25150 7853 1 12 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.699 1.611 25150 7854 1 12 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.205 0.695 25150 7855 1 12 . 1 1 94 94 ILE H H 94 7.859 7.859 7.997 -0.138 25150 7856 1 12 . 1 1 95 95 LEU N N 95 113.763 113.763 119.840 -6.077 25150 7857 1 12 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.314 0.338 25150 7858 1 12 . 1 1 95 95 LEU C C 95 178.458 178.458 177.638 0.820 25150 7859 1 12 . 1 1 95 95 LEU CA C 95 55.330 55.330 56.538 -1.208 25150 7860 1 12 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.914 0.166 25150 7861 1 12 . 1 1 95 95 LEU H H 95 7.351 7.351 7.888 -0.537 25150 7862 1 12 . 1 1 96 96 THR N N 96 109.929 109.929 111.293 -1.364 25150 7863 1 12 . 1 1 96 96 THR HA H 96 4.338 4.338 4.550 -0.212 25150 7864 1 12 . 1 1 96 96 THR C C 96 175.947 175.947 176.992 -1.045 25150 7865 1 12 . 1 1 96 96 THR CA C 96 60.960 60.960 62.335 -1.375 25150 7866 1 12 . 1 1 96 96 THR CB C 96 69.280 69.280 69.275 0.006 25150 7867 1 12 . 1 1 96 96 THR H H 96 7.794 7.794 7.841 -0.047 25150 7868 1 12 . 1 1 97 97 GLU N N 97 123.314 123.314 121.239 2.075 25150 7869 1 12 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.155 0.162 25150 7870 1 12 . 1 1 97 97 GLU C C 97 176.907 176.907 177.221 -0.314 25150 7871 1 12 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.953 -0.273 25150 7872 1 12 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.469 1.321 25150 7873 1 12 . 1 1 97 97 GLU H H 97 8.913 8.913 8.561 0.352 25150 7874 1 12 . 1 1 98 98 ASP N N 98 116.420 116.420 116.946 -0.526 25150 7875 1 12 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.934 0.256 25150 7876 1 12 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.067 0.433 25150 7877 1 12 . 1 1 98 98 ASP H H 98 8.124 8.124 8.023 0.101 25150 7878 1 12 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.562 -0.142 25150 7879 1 12 . 1 1 99 99 TRP C C 99 176.495 176.495 175.263 1.232 25150 7880 1 12 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.490 -0.060 25150 7881 1 12 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.286 -0.706 25150 7882 1 12 . 1 1 100 100 SER N N 100 120.993 120.993 119.865 1.128 25150 7883 1 12 . 1 1 100 100 SER CA C 100 55.370 55.370 53.996 1.374 25150 7884 1 12 . 1 1 100 100 SER CB C 100 64.860 64.860 64.308 0.552 25150 7885 1 12 . 1 1 100 100 SER H H 100 5.703 5.703 7.126 -1.423 25150 7886 1 12 . 1 1 101 101 PRO HA H 101 4.193 4.193 3.854 0.339 25150 7887 1 12 . 1 1 101 101 PRO C C 101 175.227 175.227 176.249 -1.022 25150 7888 1 12 . 1 1 101 101 PRO CA C 101 63.700 63.700 63.995 -0.295 25150 7889 1 12 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.690 -0.270 25150 7890 1 12 . 1 1 102 102 ALA N N 102 118.668 118.668 119.774 -1.106 25150 7891 1 12 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.184 -0.090 25150 7892 1 12 . 1 1 102 102 ALA C C 102 178.797 178.797 177.766 1.031 25150 7893 1 12 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.151 0.679 25150 7894 1 12 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.838 0.172 25150 7895 1 12 . 1 1 102 102 ALA H H 102 7.290 7.290 7.176 0.114 25150 7896 1 12 . 1 1 103 103 LEU N N 103 119.365 119.365 119.952 -0.587 25150 7897 1 12 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.261 -0.051 25150 7898 1 12 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.462 -0.752 25150 7899 1 12 . 1 1 103 103 LEU H H 103 7.263 7.263 7.193 0.070 25150 7900 1 12 . 1 1 104 104 SER HA H 104 4.381 4.381 4.689 -0.308 25150 7901 1 12 . 1 1 104 104 SER C C 104 175.278 175.278 175.769 -0.491 25150 7902 1 12 . 1 1 104 104 SER CA C 104 56.500 56.500 57.076 -0.576 25150 7903 1 12 . 1 1 104 104 SER CB C 104 66.770 66.770 64.905 1.865 25150 7904 1 12 . 1 1 105 105 VAL N N 105 123.025 123.025 126.551 -3.526 25150 7905 1 12 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.774 -0.162 25150 7906 1 12 . 1 1 105 105 VAL C C 105 179.053 179.053 177.168 1.885 25150 7907 1 12 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.473 1.597 25150 7908 1 12 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.883 -0.263 25150 7909 1 12 . 1 1 105 105 VAL H H 105 9.841 9.841 9.552 0.289 25150 7910 1 12 . 1 1 106 106 GLN N N 106 121.218 121.218 120.469 0.749 25150 7911 1 12 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.821 0.034 25150 7912 1 12 . 1 1 106 106 GLN C C 106 177.698 177.698 177.959 -0.261 25150 7913 1 12 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.903 1.227 25150 7914 1 12 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.470 -0.239 25150 7915 1 12 . 1 1 106 106 GLN H H 106 9.109 9.109 7.995 1.114 25150 7916 1 12 . 1 1 107 107 SER N N 107 115.531 115.531 115.212 0.319 25150 7917 1 12 . 1 1 107 107 SER C C 107 177.828 177.828 177.034 0.794 25150 7918 1 12 . 1 1 107 107 SER CA C 107 62.500 62.500 61.591 0.909 25150 7919 1 12 . 1 1 107 107 SER CB C 107 62.670 62.670 62.540 0.130 25150 7920 1 12 . 1 1 107 107 SER H H 107 8.209 8.209 8.112 0.097 25150 7921 1 12 . 1 1 108 108 VAL N N 108 123.756 123.756 122.336 1.420 25150 7922 1 12 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.723 -0.062 25150 7923 1 12 . 1 1 108 108 VAL C C 108 178.087 178.087 178.139 -0.052 25150 7924 1 12 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.859 0.112 25150 7925 1 12 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.841 -0.131 25150 7926 1 12 . 1 1 108 108 VAL H H 108 8.256 8.256 8.096 0.160 25150 7927 1 12 . 1 1 109 109 CYS N N 109 118.175 118.175 118.203 -0.028 25150 7928 1 12 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.171 -0.236 25150 7929 1 12 . 1 1 109 109 CYS C C 109 176.918 176.918 176.781 0.137 25150 7930 1 12 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.791 1.099 25150 7931 1 12 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.875 0.925 25150 7932 1 12 . 1 1 109 109 CYS H H 109 8.781 8.781 8.487 0.294 25150 7933 1 12 . 1 1 110 110 LEU N N 110 118.491 118.491 121.055 -2.564 25150 7934 1 12 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.894 0.216 25150 7935 1 12 . 1 1 110 110 LEU C C 110 180.150 180.150 179.026 1.124 25150 7936 1 12 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.333 0.147 25150 7937 1 12 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.426 -0.416 25150 7938 1 12 . 1 1 110 110 LEU H H 110 8.543 8.543 8.735 -0.192 25150 7939 1 12 . 1 1 111 111 SER N N 111 117.917 117.917 116.109 1.808 25150 7940 1 12 . 1 1 111 111 SER C C 111 177.009 177.009 176.597 0.412 25150 7941 1 12 . 1 1 111 111 SER CA C 111 63.050 63.050 62.704 0.346 25150 7942 1 12 . 1 1 111 111 SER CB C 111 62.980 62.980 62.754 0.226 25150 7943 1 12 . 1 1 111 111 SER H H 111 8.181 8.181 8.328 -0.147 25150 7944 1 12 . 1 1 112 112 ILE N N 112 124.764 124.764 123.314 1.450 25150 7945 1 12 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.700 -0.027 25150 7946 1 12 . 1 1 112 112 ILE C C 112 177.441 177.441 177.963 -0.522 25150 7947 1 12 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.324 0.106 25150 7948 1 12 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.885 0.065 25150 7949 1 12 . 1 1 112 112 ILE H H 112 8.249 8.249 7.719 0.530 25150 7950 1 12 . 1 1 113 113 ILE N N 113 121.123 121.123 120.111 1.012 25150 7951 1 12 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.515 0.081 25150 7952 1 12 . 1 1 113 113 ILE C C 113 179.525 179.525 178.217 1.308 25150 7953 1 12 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.546 0.714 25150 7954 1 12 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.768 1.012 25150 7955 1 12 . 1 1 113 113 ILE H H 113 8.415 8.415 8.353 0.062 25150 7956 1 12 . 1 1 114 114 SER N N 114 115.247 115.247 115.568 -0.321 25150 7957 1 12 . 1 1 114 114 SER HA H 114 4.300 4.300 4.070 0.230 25150 7958 1 12 . 1 1 114 114 SER C C 114 176.915 176.915 176.774 0.141 25150 7959 1 12 . 1 1 114 114 SER CA C 114 61.510 61.510 61.294 0.216 25150 7960 1 12 . 1 1 114 114 SER CB C 114 62.990 62.990 63.402 -0.412 25150 7961 1 12 . 1 1 114 114 SER H H 114 8.241 8.241 8.045 0.196 25150 7962 1 12 . 1 1 115 115 MET N N 115 122.921 122.921 121.696 1.225 25150 7963 1 12 . 1 1 115 115 MET C C 115 179.552 179.552 179.292 0.260 25150 7964 1 12 . 1 1 115 115 MET CA C 115 59.030 59.030 59.209 -0.179 25150 7965 1 12 . 1 1 115 115 MET CB C 115 33.040 33.040 32.638 0.402 25150 7966 1 12 . 1 1 115 115 MET H H 115 8.216 8.216 8.300 -0.084 25150 7967 1 12 . 1 1 116 116 LEU N N 116 120.553 120.553 119.079 1.474 25150 7968 1 12 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.736 0.341 25150 7969 1 12 . 1 1 116 116 LEU C C 116 179.264 179.264 177.003 2.261 25150 7970 1 12 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.483 1.287 25150 7971 1 12 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.662 -1.032 25150 7972 1 12 . 1 1 116 116 LEU H H 116 7.981 7.981 7.948 0.033 25150 7973 1 12 . 1 1 117 117 SER N N 117 114.100 114.100 110.323 3.777 25150 7974 1 12 . 1 1 117 117 SER HA H 117 4.342 4.342 4.679 -0.337 25150 7975 1 12 . 1 1 117 117 SER C C 117 175.042 175.042 176.903 -1.861 25150 7976 1 12 . 1 1 117 117 SER CA C 117 61.700 61.700 59.459 2.241 25150 7977 1 12 . 1 1 117 117 SER CB C 117 63.120 63.120 65.109 -1.989 25150 7978 1 12 . 1 1 117 117 SER H H 117 8.467 8.467 7.860 0.607 25150 7979 1 12 . 1 1 118 118 SER N N 118 113.628 113.628 118.197 -4.569 25150 7980 1 12 . 1 1 118 118 SER HA H 118 4.485 4.485 4.429 0.056 25150 7981 1 12 . 1 1 118 118 SER C C 118 174.142 174.142 175.909 -1.767 25150 7982 1 12 . 1 1 118 118 SER CA C 118 59.000 59.000 61.053 -2.053 25150 7983 1 12 . 1 1 118 118 SER CB C 118 64.040 64.040 63.057 0.983 25150 7984 1 12 . 1 1 118 118 SER H H 118 8.037 8.037 8.796 -0.759 25150 7985 1 12 . 1 1 119 119 CYS N N 119 122.293 122.293 119.858 2.435 25150 7986 1 12 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.244 -0.054 25150 7987 1 12 . 1 1 119 119 CYS CB C 119 28.270 28.270 27.747 0.523 25150 7988 1 12 . 1 1 119 119 CYS H H 119 7.250 7.250 7.905 -0.655 25150 7989 1 12 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.404 0.136 25150 7990 1 12 . 1 1 120 120 LYS C C 120 176.345 176.345 175.801 0.544 25150 7991 1 12 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.646 9.404 25150 7992 1 12 . 1 1 120 120 LYS CB C 120 33.550 33.550 33.007 0.543 25150 7993 1 12 . 1 1 121 121 GLU N N 121 120.936 120.936 121.783 -0.847 25150 7994 1 12 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.515 -0.286 25150 7995 1 12 . 1 1 121 121 GLU C C 121 174.053 174.053 176.467 -2.414 25150 7996 1 12 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.741 0.449 25150 7997 1 12 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.654 1.036 25150 7998 1 12 . 1 1 121 121 GLU H H 121 7.700 7.700 8.391 -0.691 25150 7999 1 12 . 1 1 122 122 LYS N N 122 127.472 127.472 123.341 4.131 25150 8000 1 12 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.128 -0.266 25150 8001 1 12 . 1 1 122 122 LYS C C 122 174.440 174.440 177.077 -2.637 25150 8002 1 12 . 1 1 122 122 LYS CA C 122 58.280 58.280 57.428 0.852 25150 8003 1 12 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.781 -0.371 25150 8004 1 12 . 1 1 122 122 LYS H H 122 8.890 8.890 8.536 0.354 25150 8005 1 12 . 1 1 123 123 ARG N N 123 123.268 123.268 120.922 2.346 25150 8006 1 12 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.322 -0.052 25150 8007 1 12 . 1 1 123 123 ARG C C 123 172.653 172.653 175.498 -2.845 25150 8008 1 12 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.645 -1.065 25150 8009 1 12 . 1 1 123 123 ARG CB C 123 32.230 32.230 30.764 1.466 25150 8010 1 12 . 1 1 123 123 ARG H H 123 6.841 6.841 7.760 -0.919 25150 8011 1 12 . 1 1 124 124 ARG N N 124 116.787 116.787 124.755 -7.968 25150 8012 1 12 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.475 0.235 25150 8013 1 12 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.585 -1.505 25150 8014 1 12 . 1 1 124 124 ARG H H 124 8.044 8.044 8.391 -0.347 25150 8015 1 12 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.578 0.222 25150 8016 1 12 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.961 -0.181 25150 8017 1 12 . 1 1 127 127 ASP N N 127 115.165 115.165 115.166 -0.001 25150 8018 1 12 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.690 0.434 25150 8019 1 12 . 1 1 127 127 ASP C C 127 172.871 172.871 176.278 -3.407 25150 8020 1 12 . 1 1 127 127 ASP CA C 127 52.670 52.670 52.167 0.503 25150 8021 1 12 . 1 1 127 127 ASP CB C 127 39.140 39.140 39.483 -0.343 25150 8022 1 12 . 1 1 127 127 ASP H H 127 8.711 8.711 8.356 0.355 25150 8023 1 12 . 1 1 128 128 ASN N N 128 127.858 127.858 120.800 7.058 25150 8024 1 12 . 1 1 128 128 ASN CA C 128 56.480 56.480 56.523 -0.043 25150 8025 1 12 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.898 -0.338 25150 8026 1 12 . 1 1 128 128 ASN H H 128 8.502 8.502 7.928 0.574 25150 8027 1 12 . 1 1 129 129 SER C C 129 176.346 176.346 176.525 -0.179 25150 8028 1 12 . 1 1 129 129 SER CA C 129 62.330 62.330 61.002 1.328 25150 8029 1 12 . 1 1 130 130 PHE N N 130 121.897 121.897 124.585 -2.688 25150 8030 1 12 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.109 0.011 25150 8031 1 12 . 1 1 130 130 PHE C C 130 177.740 177.740 176.878 0.862 25150 8032 1 12 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.125 -0.165 25150 8033 1 12 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.943 0.817 25150 8034 1 12 . 1 1 130 130 PHE H H 130 8.022 8.022 7.881 0.141 25150 8035 1 12 . 1 1 131 131 TYR N N 131 122.173 122.173 116.357 5.816 25150 8036 1 12 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.089 -0.343 25150 8037 1 12 . 1 1 131 131 TYR C C 131 178.140 178.140 177.840 0.300 25150 8038 1 12 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.396 0.894 25150 8039 1 12 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.211 1.329 25150 8040 1 12 . 1 1 131 131 TYR H H 131 8.871 8.871 7.887 0.984 25150 8041 1 12 . 1 1 132 132 VAL N N 132 116.993 116.993 117.996 -1.003 25150 8042 1 12 . 1 1 132 132 VAL C C 132 178.082 178.082 177.432 0.650 25150 8043 1 12 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.551 0.779 25150 8044 1 12 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.708 -0.258 25150 8045 1 12 . 1 1 132 132 VAL H H 132 8.551 8.551 7.844 0.707 25150 8046 1 12 . 1 1 133 133 ARG N N 133 118.860 118.860 116.718 2.142 25150 8047 1 12 . 1 1 133 133 ARG CA C 133 58.980 58.980 57.881 1.099 25150 8048 1 12 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.773 -0.522 25150 8049 1 12 . 1 1 133 133 ARG H H 133 7.545 7.545 7.755 -0.210 25150 8050 1 12 . 1 1 134 134 THR CA C 134 62.280 62.280 64.436 -2.156 25150 8051 1 12 . 1 1 134 134 THR CB C 134 69.790 69.790 68.930 0.860 25150 8052 1 12 . 1 1 135 135 CYS N N 135 125.959 125.959 123.955 2.004 25150 8053 1 12 . 1 1 135 135 CYS CA C 135 59.760 59.760 59.415 0.345 25150 8054 1 12 . 1 1 135 135 CYS CB C 135 39.010 39.010 28.066 10.944 25150 8055 1 12 . 1 1 135 135 CYS H H 135 7.881 7.881 8.529 -0.648 25150 8056 1 12 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.620 -0.610 25150 8057 1 12 . 1 1 136 136 ASN C C 136 177.768 177.768 175.596 2.172 25150 8058 1 12 . 1 1 136 136 ASN CA C 136 54.160 54.160 53.737 0.423 25150 8059 1 12 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.748 -0.278 25150 8060 1 12 . 1 1 137 137 LYS N N 137 119.224 119.224 121.909 -2.685 25150 8061 1 12 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.016 0.180 25150 8062 1 12 . 1 1 137 137 LYS C C 137 176.185 176.185 175.990 0.195 25150 8063 1 12 . 1 1 137 137 LYS CA C 137 56.980 56.980 57.070 -0.090 25150 8064 1 12 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.671 0.199 25150 8065 1 12 . 1 1 137 137 LYS H H 137 7.678 7.678 8.379 -0.701 25150 8066 1 12 . 1 1 138 138 ASN N N 138 117.174 117.174 118.141 -0.967 25150 8067 1 12 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.608 -0.078 25150 8068 1 12 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.649 0.291 25150 8069 1 12 . 1 1 138 138 ASN H H 138 7.969 7.969 7.786 0.183 25150 8070 1 12 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.447 -0.049 25150 8071 1 12 . 1 1 139 139 PRO C C 139 177.335 177.335 177.773 -0.438 25150 8072 1 12 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.821 1.029 25150 8073 1 12 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.561 -0.451 25150 8074 1 12 . 1 1 140 140 LYS N N 140 118.218 118.218 123.211 -4.993 25150 8075 1 12 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.144 28.506 25150 8076 1 12 . 1 1 140 140 LYS C C 140 176.564 176.564 176.966 -0.402 25150 8077 1 12 . 1 1 140 140 LYS CA C 140 56.990 56.990 58.619 -1.629 25150 8078 1 12 . 1 1 140 140 LYS H H 140 8.108 8.108 8.681 -0.573 25150 8079 1 12 . 1 1 141 141 LYS N N 141 119.276 119.276 118.640 0.636 25150 8080 1 12 . 1 1 141 141 LYS C C 141 177.924 177.924 176.339 1.585 25150 8081 1 12 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.784 0.316 25150 8082 1 12 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.352 -2.572 25150 8083 1 12 . 1 1 141 141 LYS H H 141 8.135 8.135 7.775 0.360 25150 8084 1 12 . 1 1 142 142 THR N N 142 115.380 115.380 118.471 -3.091 25150 8085 1 12 . 1 1 142 142 THR CA C 142 61.850 61.850 63.676 -1.826 25150 8086 1 12 . 1 1 142 142 THR CB C 142 69.660 69.660 68.908 0.752 25150 8087 1 12 . 1 1 142 142 THR H H 142 8.030 8.030 7.548 0.482 25150 8088 1 12 . 1 1 143 143 LYS C C 143 178.955 178.955 176.161 2.794 25150 8089 1 12 . 1 1 144 144 TRP N N 144 120.470 120.470 125.469 -4.999 25150 8090 1 12 . 1 1 144 144 TRP C C 144 176.557 176.557 175.617 0.940 25150 8091 1 12 . 1 1 144 144 TRP CA C 144 57.870 57.870 55.821 2.049 25150 8092 1 12 . 1 1 144 144 TRP CB C 144 33.000 33.000 30.967 2.033 25150 8093 1 12 . 1 1 144 144 TRP H H 144 8.094 8.094 8.226 -0.132 25150 8094 1 12 . 1 1 145 145 TRP N N 145 120.330 120.330 121.892 -1.562 25150 8095 1 12 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.705 0.415 25150 8096 1 12 . 1 1 145 145 TRP CB C 145 32.850 32.850 29.860 2.990 25150 8097 1 12 . 1 1 145 145 TRP H H 145 8.488 8.488 8.491 -0.003 25150 8098 1 12 . 1 1 146 146 TYR C C 146 174.706 174.706 175.429 -0.723 25150 8099 1 12 . 1 1 146 146 TYR CA C 146 57.430 57.430 59.181 -1.751 25150 8100 1 12 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.879 -0.139 25150 8101 1 12 . 1 1 147 147 HIS N N 147 121.604 121.604 125.875 -4.271 25150 8102 1 12 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.430 -0.244 25150 8103 1 12 . 1 1 147 147 HIS C C 147 176.874 176.874 173.557 3.317 25150 8104 1 12 . 1 1 147 147 HIS CA C 147 56.240 56.240 54.764 1.476 25150 8105 1 12 . 1 1 147 147 HIS CB C 147 31.200 31.200 31.961 -0.761 25150 8106 1 12 . 1 1 147 147 HIS H H 147 7.886 7.886 8.022 -0.136 25150 8107 1 12 . 1 1 148 148 ASP N N 148 122.629 122.629 120.092 2.537 25150 8108 1 12 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.471 0.073 25150 8109 1 12 . 1 1 148 148 ASP C C 148 175.661 175.661 175.673 -0.012 25150 8110 1 12 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.673 0.506 25150 8111 1 12 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.570 1.110 25150 8112 1 12 . 1 1 148 148 ASP H H 148 8.109 8.109 8.429 -0.320 25150 8113 1 12 . 1 1 149 149 ASP N N 149 121.321 121.321 120.808 0.513 25150 8114 1 12 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.609 0.045 25150 8115 1 12 . 1 1 149 149 ASP C C 149 176.551 176.551 176.604 -0.053 25150 8116 1 12 . 1 1 149 149 ASP CA C 149 54.610 54.610 53.974 0.636 25150 8117 1 12 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.419 0.941 25150 8118 1 12 . 1 1 149 149 ASP H H 149 8.395 8.395 7.947 0.448 25150 8119 1 12 . 1 1 150 150 THR N N 150 113.450 113.450 116.719 -3.269 25150 8120 1 12 . 1 1 150 150 THR HA H 150 4.296 4.296 4.410 -0.114 25150 8121 1 12 . 1 1 150 150 THR C C 150 173.994 173.994 175.479 -1.485 25150 8122 1 12 . 1 1 150 150 THR CA C 150 62.310 62.310 61.438 0.873 25150 8123 1 12 . 1 1 150 150 THR CB C 150 69.870 69.870 68.641 1.229 25150 8124 1 12 . 1 1 150 150 THR H H 150 8.259 8.259 8.384 -0.125 25150 8125 1 13 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.005 0.289 25150 8126 1 13 . 1 1 6 6 LYS C C 6 176.970 176.970 178.914 -1.944 25150 8127 1 13 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.602 -1.232 25150 8128 1 13 . 1 1 6 6 LYS CB C 6 32.480 32.480 31.966 0.514 25150 8129 1 13 . 1 1 7 7 ARG N N 7 119.704 119.704 120.231 -0.527 25150 8130 1 13 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.071 0.127 25150 8131 1 13 . 1 1 7 7 ARG C C 7 178.270 178.270 178.485 -0.215 25150 8132 1 13 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.438 0.592 25150 8133 1 13 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.595 -1.035 25150 8134 1 13 . 1 1 7 7 ARG H H 7 8.599 8.599 7.880 0.719 25150 8135 1 13 . 1 1 8 8 LEU N N 8 119.704 119.704 120.526 -0.822 25150 8136 1 13 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.964 0.126 25150 8137 1 13 . 1 1 8 8 LEU C C 8 178.980 178.980 178.372 0.608 25150 8138 1 13 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.144 0.146 25150 8139 1 13 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.339 0.722 25150 8140 1 13 . 1 1 8 8 LEU H H 8 8.599 8.599 8.107 0.492 25150 8141 1 13 . 1 1 9 9 GLN N N 9 117.512 117.512 118.428 -0.916 25150 8142 1 13 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.797 0.240 25150 8143 1 13 . 1 1 9 9 GLN C C 9 178.610 178.610 178.339 0.271 25150 8144 1 13 . 1 1 9 9 GLN CA C 9 59.310 59.310 58.680 0.630 25150 8145 1 13 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.167 0.313 25150 8146 1 13 . 1 1 9 9 GLN H H 9 8.066 8.066 8.262 -0.196 25150 8147 1 13 . 1 1 10 10 LYS N N 10 119.556 119.556 119.216 0.340 25150 8148 1 13 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.890 0.190 25150 8149 1 13 . 1 1 10 10 LYS C C 10 180.040 180.040 178.964 1.076 25150 8150 1 13 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.692 -0.012 25150 8151 1 13 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.178 0.281 25150 8152 1 13 . 1 1 10 10 LYS H H 10 7.678 7.678 8.082 -0.404 25150 8153 1 13 . 1 1 11 11 GLU N N 11 120.347 120.347 120.622 -0.275 25150 8154 1 13 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.071 0.105 25150 8155 1 13 . 1 1 11 11 GLU C C 11 178.770 178.770 178.718 0.052 25150 8156 1 13 . 1 1 11 11 GLU CA C 11 61.040 61.040 58.838 2.202 25150 8157 1 13 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.181 1.479 25150 8158 1 13 . 1 1 11 11 GLU H H 11 8.533 8.533 7.846 0.687 25150 8159 1 13 . 1 1 12 12 LEU N N 12 123.285 123.285 120.006 3.279 25150 8160 1 13 . 1 1 12 12 LEU C C 12 178.570 178.570 179.114 -0.544 25150 8161 1 13 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.646 0.474 25150 8162 1 13 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.452 -0.372 25150 8163 1 13 . 1 1 12 12 LEU H H 12 8.685 8.685 8.014 0.671 25150 8164 1 13 . 1 1 13 13 LEU N N 13 118.881 118.881 119.105 -0.224 25150 8165 1 13 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.940 0.057 25150 8166 1 13 . 1 1 13 13 LEU C C 13 179.260 179.260 179.023 0.237 25150 8167 1 13 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.688 0.212 25150 8168 1 13 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.328 0.562 25150 8169 1 13 . 1 1 13 13 LEU H H 13 7.588 7.588 8.222 -0.634 25150 8170 1 13 . 1 1 14 14 ALA N N 14 120.667 120.667 122.503 -1.836 25150 8171 1 13 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.995 0.195 25150 8172 1 13 . 1 1 14 14 ALA C C 14 176.270 176.270 179.632 -3.362 25150 8173 1 13 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.164 0.026 25150 8174 1 13 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.102 -0.073 25150 8175 1 13 . 1 1 14 14 ALA H H 14 7.617 7.617 8.050 -0.433 25150 8176 1 13 . 1 1 15 15 LEU N N 15 119.965 119.965 117.570 2.395 25150 8177 1 13 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.142 0.308 25150 8178 1 13 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.810 0.450 25150 8179 1 13 . 1 1 15 15 LEU H H 15 7.726 7.726 7.865 -0.139 25150 8180 1 13 . 1 1 16 16 GLN N N 16 115.381 115.381 116.020 -0.639 25150 8181 1 13 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.060 -0.082 25150 8182 1 13 . 1 1 16 16 GLN C C 16 177.950 177.950 177.673 0.277 25150 8183 1 13 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.053 0.407 25150 8184 1 13 . 1 1 16 16 GLN CB C 16 29.790 29.790 29.066 0.724 25150 8185 1 13 . 1 1 16 16 GLN H H 16 8.028 8.028 7.856 0.172 25150 8186 1 13 . 1 1 17 17 ASN N N 17 114.975 114.975 116.508 -1.533 25150 8187 1 13 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.615 0.015 25150 8188 1 13 . 1 1 17 17 ASN C C 17 175.303 175.303 175.480 -0.177 25150 8189 1 13 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.094 -0.214 25150 8190 1 13 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.288 0.561 25150 8191 1 13 . 1 1 17 17 ASN H H 17 8.136 8.136 8.001 0.135 25150 8192 1 13 . 1 1 18 18 ASP N N 18 119.698 119.698 118.047 1.651 25150 8193 1 13 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.283 1.177 25150 8194 1 13 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.325 -0.815 25150 8195 1 13 . 1 1 18 18 ASP H H 18 8.218 8.218 8.256 -0.038 25150 8196 1 13 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.323 -0.008 25150 8197 1 13 . 1 1 21 21 PRO C C 21 177.867 177.867 177.801 0.066 25150 8198 1 13 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.320 -0.500 25150 8199 1 13 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.497 0.073 25150 8200 1 13 . 1 1 22 22 GLY N N 22 111.293 111.293 111.828 -0.535 25150 8201 1 13 . 1 1 22 22 GLY C C 22 174.342 174.342 174.144 0.198 25150 8202 1 13 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.037 0.953 25150 8203 1 13 . 1 1 22 22 GLY H H 22 8.506 8.506 8.622 -0.116 25150 8204 1 13 . 1 1 23 23 MET N N 23 118.966 118.966 121.390 -2.424 25150 8205 1 13 . 1 1 23 23 MET HA H 23 5.699 5.699 5.595 0.104 25150 8206 1 13 . 1 1 23 23 MET C C 23 175.386 175.386 174.943 0.443 25150 8207 1 13 . 1 1 23 23 MET CA C 23 55.270 55.270 55.050 0.220 25150 8208 1 13 . 1 1 23 23 MET CB C 23 35.890 35.890 34.940 0.950 25150 8209 1 13 . 1 1 23 23 MET H H 23 8.017 8.017 7.852 0.165 25150 8210 1 13 . 1 1 24 24 THR N N 24 112.647 112.647 122.964 -10.317 25150 8211 1 13 . 1 1 24 24 THR HA H 24 4.596 4.596 4.727 -0.131 25150 8212 1 13 . 1 1 24 24 THR C C 24 173.407 173.407 173.606 -0.199 25150 8213 1 13 . 1 1 24 24 THR CA C 24 60.850 60.850 61.466 -0.616 25150 8214 1 13 . 1 1 24 24 THR CB C 24 72.360 72.360 71.852 0.508 25150 8215 1 13 . 1 1 24 24 THR H H 24 8.565 8.565 8.917 -0.352 25150 8216 1 13 . 1 1 25 25 LEU N N 25 126.920 126.920 126.376 0.544 25150 8217 1 13 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.810 -0.514 25150 8218 1 13 . 1 1 25 25 LEU C C 25 175.624 175.624 176.503 -0.879 25150 8219 1 13 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.836 1.335 25150 8220 1 13 . 1 1 25 25 LEU CB C 25 42.710 42.710 43.265 -0.555 25150 8221 1 13 . 1 1 25 25 LEU H H 25 9.189 9.189 8.721 0.468 25150 8222 1 13 . 1 1 26 26 ASN N N 26 127.108 127.108 121.940 5.168 25150 8223 1 13 . 1 1 26 26 ASN C C 26 173.783 173.783 173.021 0.762 25150 8224 1 13 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.017 2.083 25150 8225 1 13 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.429 -0.059 25150 8226 1 13 . 1 1 26 26 ASN H H 26 9.000 9.000 8.800 0.200 25150 8227 1 13 . 1 1 27 27 GLU N N 27 108.990 108.990 123.510 -14.520 25150 8228 1 13 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.642 0.968 25150 8229 1 13 . 1 1 27 27 GLU H H 27 7.631 7.631 8.332 -0.701 25150 8230 1 13 . 1 1 30 30 VAL C C 30 177.011 177.011 176.734 0.277 25150 8231 1 13 . 1 1 30 30 VAL CA C 30 55.230 55.230 62.447 -7.218 25150 8232 1 13 . 1 1 30 30 VAL CB C 30 30.860 30.860 32.116 -1.256 25150 8233 1 13 . 1 1 31 31 GLN N N 31 125.960 125.960 128.993 -3.033 25150 8234 1 13 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.166 0.264 25150 8235 1 13 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.578 0.552 25150 8236 1 13 . 1 1 31 31 GLN H H 31 7.880 7.880 8.890 -1.010 25150 8237 1 13 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.985 -0.325 25150 8238 1 13 . 1 1 34 34 ILE C C 34 178.642 178.642 176.456 2.186 25150 8239 1 13 . 1 1 34 34 ILE CA C 34 54.970 54.970 61.062 -6.092 25150 8240 1 13 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.274 3.726 25150 8241 1 13 . 1 1 35 35 THR N N 35 110.980 110.980 112.301 -1.321 25150 8242 1 13 . 1 1 35 35 THR CA C 35 61.070 61.070 63.285 -2.215 25150 8243 1 13 . 1 1 35 35 THR CB C 35 69.090 69.090 69.342 -0.252 25150 8244 1 13 . 1 1 35 35 THR H H 35 7.825 7.825 8.107 -0.282 25150 8245 1 13 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.071 0.553 25150 8246 1 13 . 1 1 36 36 GLN C C 36 174.178 174.178 174.379 -0.201 25150 8247 1 13 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.802 0.288 25150 8248 1 13 . 1 1 36 36 GLN CB C 36 32.290 32.290 30.222 2.068 25150 8249 1 13 . 1 1 37 37 TRP N N 37 123.942 123.942 128.942 -5.000 25150 8250 1 13 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.032 0.544 25150 8251 1 13 . 1 1 37 37 TRP C C 37 174.959 174.959 173.808 1.151 25150 8252 1 13 . 1 1 37 37 TRP CA C 37 53.630 53.630 56.226 -2.596 25150 8253 1 13 . 1 1 37 37 TRP CB C 37 32.950 32.950 34.183 -1.233 25150 8254 1 13 . 1 1 37 37 TRP H H 37 9.242 9.242 9.114 0.128 25150 8255 1 13 . 1 1 38 38 ILE N N 38 121.559 121.559 124.630 -3.071 25150 8256 1 13 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.234 0.045 25150 8257 1 13 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.011 -0.581 25150 8258 1 13 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.460 -1.220 25150 8259 1 13 . 1 1 38 38 ILE H H 38 8.778 8.778 7.825 0.953 25150 8260 1 13 . 1 1 39 39 VAL N N 39 128.719 128.719 127.003 1.716 25150 8261 1 13 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.931 -0.350 25150 8262 1 13 . 1 1 39 39 VAL C C 39 175.175 175.175 174.895 0.280 25150 8263 1 13 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.537 0.713 25150 8264 1 13 . 1 1 39 39 VAL CB C 39 35.850 35.850 35.080 0.770 25150 8265 1 13 . 1 1 39 39 VAL H H 39 9.533 9.533 9.124 0.409 25150 8266 1 13 . 1 1 40 40 ASP N N 40 128.451 128.451 128.283 0.168 25150 8267 1 13 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.482 -0.264 25150 8268 1 13 . 1 1 40 40 ASP C C 40 175.157 175.157 174.949 0.208 25150 8269 1 13 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.872 1.438 25150 8270 1 13 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.611 -0.111 25150 8271 1 13 . 1 1 40 40 ASP H H 40 9.165 9.165 9.055 0.110 25150 8272 1 13 . 1 1 41 41 MET N N 41 120.544 120.544 125.302 -4.758 25150 8273 1 13 . 1 1 41 41 MET HA H 41 5.467 5.467 5.283 0.184 25150 8274 1 13 . 1 1 41 41 MET C C 41 173.590 173.590 174.419 -0.829 25150 8275 1 13 . 1 1 41 41 MET CA C 41 54.610 54.610 54.312 0.298 25150 8276 1 13 . 1 1 41 41 MET CB C 41 37.490 37.490 36.262 1.228 25150 8277 1 13 . 1 1 41 41 MET H H 41 8.756 8.756 9.049 -0.293 25150 8278 1 13 . 1 1 42 42 GLU N N 42 125.740 125.740 128.644 -2.904 25150 8279 1 13 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.036 -0.026 25150 8280 1 13 . 1 1 42 42 GLU C C 42 177.323 177.323 177.232 0.091 25150 8281 1 13 . 1 1 42 42 GLU CA C 42 54.480 54.480 55.127 -0.647 25150 8282 1 13 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.258 0.002 25150 8283 1 13 . 1 1 42 42 GLU H H 42 8.706 8.706 8.725 -0.019 25150 8284 1 13 . 1 1 43 43 GLY N N 43 111.314 111.314 113.623 -2.309 25150 8285 1 13 . 1 1 43 43 GLY C C 43 174.121 174.121 173.442 0.679 25150 8286 1 13 . 1 1 43 43 GLY CA C 43 45.390 45.390 44.962 0.428 25150 8287 1 13 . 1 1 43 43 GLY H H 43 8.917 8.917 8.740 0.177 25150 8288 1 13 . 1 1 44 44 ALA N N 44 128.665 128.665 126.675 1.990 25150 8289 1 13 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.235 0.825 25150 8290 1 13 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.810 -0.340 25150 8291 1 13 . 1 1 44 44 ALA H H 44 8.918 8.918 8.499 0.419 25150 8292 1 13 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.107 0.193 25150 8293 1 13 . 1 1 45 45 PRO C C 45 177.598 177.598 177.368 0.230 25150 8294 1 13 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.711 -1.301 25150 8295 1 13 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.019 0.771 25150 8296 1 13 . 1 1 46 46 GLY N N 46 111.319 111.319 113.775 -2.456 25150 8297 1 13 . 1 1 46 46 GLY C C 46 174.290 174.290 174.615 -0.325 25150 8298 1 13 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.137 0.773 25150 8299 1 13 . 1 1 46 46 GLY H H 46 9.449 9.449 9.434 0.015 25150 8300 1 13 . 1 1 47 47 THR N N 47 107.981 107.981 112.362 -4.381 25150 8301 1 13 . 1 1 47 47 THR HA H 47 4.801 4.801 4.509 0.292 25150 8302 1 13 . 1 1 47 47 THR C C 47 176.158 176.158 176.414 -0.256 25150 8303 1 13 . 1 1 47 47 THR CA C 47 60.380 60.380 60.191 0.189 25150 8304 1 13 . 1 1 47 47 THR CB C 47 73.420 73.420 71.163 2.257 25150 8305 1 13 . 1 1 47 47 THR H H 47 7.426 7.426 7.561 -0.135 25150 8306 1 13 . 1 1 48 48 LEU N N 48 119.132 119.132 120.657 -1.525 25150 8307 1 13 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.046 0.011 25150 8308 1 13 . 1 1 48 48 LEU C C 48 175.907 175.907 176.910 -1.003 25150 8309 1 13 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.716 -0.226 25150 8310 1 13 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.487 0.133 25150 8311 1 13 . 1 1 48 48 LEU H H 48 8.966 8.966 8.892 0.074 25150 8312 1 13 . 1 1 49 49 TYR N N 49 113.649 113.649 115.281 -1.632 25150 8313 1 13 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.878 -0.053 25150 8314 1 13 . 1 1 49 49 TYR C C 49 174.634 174.634 174.837 -0.203 25150 8315 1 13 . 1 1 49 49 TYR CA C 49 56.110 56.110 55.583 0.527 25150 8316 1 13 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.267 0.123 25150 8317 1 13 . 1 1 49 49 TYR H H 49 7.205 7.205 7.596 -0.391 25150 8318 1 13 . 1 1 50 50 GLU N N 50 122.006 122.006 121.962 0.044 25150 8319 1 13 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.008 -0.531 25150 8320 1 13 . 1 1 50 50 GLU C C 50 177.182 177.182 177.726 -0.544 25150 8321 1 13 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.182 -0.082 25150 8322 1 13 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.149 0.891 25150 8323 1 13 . 1 1 50 50 GLU H H 50 6.934 6.934 7.622 -0.688 25150 8324 1 13 . 1 1 51 51 GLY N N 51 115.165 115.165 116.050 -0.885 25150 8325 1 13 . 1 1 51 51 GLY C C 51 173.997 173.997 174.431 -0.434 25150 8326 1 13 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.967 0.533 25150 8327 1 13 . 1 1 51 51 GLY H H 51 8.752 8.752 8.663 0.089 25150 8328 1 13 . 1 1 52 52 GLU N N 52 120.251 120.251 122.645 -2.394 25150 8329 1 13 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.218 -0.248 25150 8330 1 13 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.958 0.482 25150 8331 1 13 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.287 2.413 25150 8332 1 13 . 1 1 52 52 GLU H H 52 7.900 7.900 8.261 -0.361 25150 8333 1 13 . 1 1 53 53 LYS N N 53 120.435 120.435 123.001 -2.566 25150 8334 1 13 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.825 -0.139 25150 8335 1 13 . 1 1 53 53 LYS C C 53 175.285 175.285 175.591 -0.306 25150 8336 1 13 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.871 0.509 25150 8337 1 13 . 1 1 53 53 LYS CB C 53 34.060 34.060 34.196 -0.136 25150 8338 1 13 . 1 1 53 53 LYS H H 53 8.046 8.046 8.222 -0.176 25150 8339 1 13 . 1 1 54 54 PHE N N 54 122.724 122.724 121.832 0.892 25150 8340 1 13 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.783 0.737 25150 8341 1 13 . 1 1 54 54 PHE C C 54 175.151 175.151 174.975 0.176 25150 8342 1 13 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.863 -2.173 25150 8343 1 13 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.561 1.039 25150 8344 1 13 . 1 1 54 54 PHE H H 54 9.082 9.082 8.833 0.249 25150 8345 1 13 . 1 1 55 55 GLN N N 55 121.971 121.971 122.980 -1.009 25150 8346 1 13 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.098 0.253 25150 8347 1 13 . 1 1 55 55 GLN C C 55 173.802 173.802 174.474 -0.672 25150 8348 1 13 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.800 1.399 25150 8349 1 13 . 1 1 55 55 GLN CB C 55 34.320 34.320 30.374 3.946 25150 8350 1 13 . 1 1 55 55 GLN H H 55 10.001 10.001 9.138 0.863 25150 8351 1 13 . 1 1 56 56 LEU N N 56 124.898 124.898 127.348 -2.450 25150 8352 1 13 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.180 -0.488 25150 8353 1 13 . 1 1 56 56 LEU C C 56 174.265 174.265 175.322 -1.057 25150 8354 1 13 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.417 0.003 25150 8355 1 13 . 1 1 56 56 LEU CB C 56 46.690 46.690 44.476 2.214 25150 8356 1 13 . 1 1 56 56 LEU H H 56 9.573 9.573 9.251 0.322 25150 8357 1 13 . 1 1 57 57 LEU N N 57 124.234 124.234 124.261 -0.027 25150 8358 1 13 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.196 -0.026 25150 8359 1 13 . 1 1 57 57 LEU C C 57 174.551 174.551 174.709 -0.158 25150 8360 1 13 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.289 0.381 25150 8361 1 13 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.913 0.607 25150 8362 1 13 . 1 1 57 57 LEU H H 57 8.890 8.890 8.882 0.008 25150 8363 1 13 . 1 1 58 58 PHE N N 58 124.003 124.003 127.864 -3.861 25150 8364 1 13 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.101 -0.351 25150 8365 1 13 . 1 1 58 58 PHE C C 58 174.407 174.407 175.196 -0.789 25150 8366 1 13 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.072 -0.072 25150 8367 1 13 . 1 1 58 58 PHE CB C 58 42.940 42.940 41.066 1.874 25150 8368 1 13 . 1 1 58 58 PHE H H 58 9.134 9.134 9.436 -0.302 25150 8369 1 13 . 1 1 59 59 LYS N N 59 120.089 120.089 123.702 -3.613 25150 8370 1 13 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.014 -0.131 25150 8371 1 13 . 1 1 59 59 LYS C C 59 175.192 175.192 175.515 -0.323 25150 8372 1 13 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.876 -0.056 25150 8373 1 13 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.587 1.943 25150 8374 1 13 . 1 1 59 59 LYS H H 59 8.732 8.732 8.581 0.151 25150 8375 1 13 . 1 1 60 60 PHE N N 60 123.988 123.988 125.165 -1.177 25150 8376 1 13 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.400 -0.096 25150 8377 1 13 . 1 1 60 60 PHE C C 60 174.636 174.636 175.149 -0.513 25150 8378 1 13 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.711 -0.461 25150 8379 1 13 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.038 1.122 25150 8380 1 13 . 1 1 60 60 PHE H H 60 8.649 8.649 8.667 -0.018 25150 8381 1 13 . 1 1 61 61 SER N N 61 117.599 117.599 117.109 0.490 25150 8382 1 13 . 1 1 61 61 SER C C 61 174.771 174.771 174.790 -0.019 25150 8383 1 13 . 1 1 61 61 SER CA C 61 57.130 57.130 57.097 0.033 25150 8384 1 13 . 1 1 61 61 SER CB C 61 66.030 66.030 65.261 0.769 25150 8385 1 13 . 1 1 61 61 SER H H 61 8.066 8.066 8.455 -0.389 25150 8386 1 13 . 1 1 62 62 SER N N 62 119.994 119.994 114.400 5.594 25150 8387 1 13 . 1 1 62 62 SER CA C 62 61.650 61.650 60.014 1.636 25150 8388 1 13 . 1 1 62 62 SER H H 62 8.265 8.265 8.679 -0.414 25150 8389 1 13 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.329 0.121 25150 8390 1 13 . 1 1 63 63 ARG C C 63 175.086 175.086 177.107 -2.021 25150 8391 1 13 . 1 1 63 63 ARG CA C 63 57.670 57.670 56.850 0.820 25150 8392 1 13 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.681 -0.631 25150 8393 1 13 . 1 1 64 64 TYR N N 64 120.957 120.957 123.740 -2.783 25150 8394 1 13 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.103 1.577 25150 8395 1 13 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.445 -0.725 25150 8396 1 13 . 1 1 64 64 TYR H H 64 7.471 7.471 7.982 -0.511 25150 8397 1 13 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.521 0.149 25150 8398 1 13 . 1 1 65 65 PRO C C 65 174.345 174.345 177.088 -2.743 25150 8399 1 13 . 1 1 65 65 PRO CA C 65 63.460 63.460 63.623 -0.163 25150 8400 1 13 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.780 1.590 25150 8401 1 13 . 1 1 66 66 PHE N N 66 126.070 126.070 120.953 5.117 25150 8402 1 13 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.250 -0.007 25150 8403 1 13 . 1 1 66 66 PHE C C 66 175.867 175.867 175.279 0.588 25150 8404 1 13 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.297 -0.217 25150 8405 1 13 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.479 -1.469 25150 8406 1 13 . 1 1 66 66 PHE H H 66 8.630 8.630 8.258 0.372 25150 8407 1 13 . 1 1 67 67 ASP N N 67 118.021 118.021 117.799 0.222 25150 8408 1 13 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.579 -0.620 25150 8409 1 13 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.082 -47.452 25150 8410 1 13 . 1 1 67 67 ASP CB C 67 34.840 34.840 43.125 -8.285 25150 8411 1 13 . 1 1 67 67 ASP H H 67 7.126 7.126 8.454 -1.328 25150 8412 1 13 . 1 1 68 68 SER N N 68 120.730 120.730 115.947 4.783 25150 8413 1 13 . 1 1 68 68 SER CA C 68 55.750 55.750 55.187 0.563 25150 8414 1 13 . 1 1 68 68 SER CB C 68 61.900 61.900 62.901 -1.001 25150 8415 1 13 . 1 1 68 68 SER H H 68 8.091 8.091 7.837 0.254 25150 8416 1 13 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.409 -0.053 25150 8417 1 13 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.361 -0.281 25150 8418 1 13 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.484 0.226 25150 8419 1 13 . 1 1 70 70 GLN N N 70 119.493 119.493 119.781 -0.288 25150 8420 1 13 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.068 0.002 25150 8421 1 13 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.849 0.641 25150 8422 1 13 . 1 1 70 70 GLN H H 70 8.049 8.049 8.045 0.004 25150 8423 1 13 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.448 -0.048 25150 8424 1 13 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.395 -0.585 25150 8425 1 13 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.851 -0.011 25150 8426 1 13 . 1 1 72 72 MET N N 72 120.767 120.767 122.339 -1.572 25150 8427 1 13 . 1 1 72 72 MET HA H 72 4.731 4.731 4.732 -0.001 25150 8428 1 13 . 1 1 72 72 MET C C 72 174.779 174.779 174.698 0.081 25150 8429 1 13 . 1 1 72 72 MET CA C 72 54.390 54.390 53.815 0.575 25150 8430 1 13 . 1 1 72 72 MET CB C 72 36.140 36.140 37.734 -1.594 25150 8431 1 13 . 1 1 72 72 MET H H 72 8.245 8.245 8.206 0.039 25150 8432 1 13 . 1 1 73 73 PHE N N 73 120.458 120.458 120.765 -0.307 25150 8433 1 13 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.186 0.028 25150 8434 1 13 . 1 1 73 73 PHE C C 73 175.404 175.404 176.507 -1.103 25150 8435 1 13 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.046 1.534 25150 8436 1 13 . 1 1 73 73 PHE CB C 73 40.620 40.620 39.922 0.698 25150 8437 1 13 . 1 1 73 73 PHE H H 73 9.193 9.193 8.884 0.309 25150 8438 1 13 . 1 1 74 74 THR N N 74 113.842 113.842 118.878 -5.036 25150 8439 1 13 . 1 1 74 74 THR HA H 74 4.777 4.777 4.716 0.061 25150 8440 1 13 . 1 1 74 74 THR C C 74 173.551 173.551 174.017 -0.466 25150 8441 1 13 . 1 1 74 74 THR CA C 74 59.580 59.580 61.796 -2.216 25150 8442 1 13 . 1 1 74 74 THR CB C 74 71.300 71.300 70.703 0.597 25150 8443 1 13 . 1 1 74 74 THR H H 74 8.894 8.894 8.916 -0.022 25150 8444 1 13 . 1 1 75 75 GLY N N 75 109.259 109.259 113.307 -4.048 25150 8445 1 13 . 1 1 75 75 GLY C C 75 173.980 173.980 173.760 0.220 25150 8446 1 13 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.021 -0.311 25150 8447 1 13 . 1 1 75 75 GLY H H 75 8.058 8.058 8.254 -0.196 25150 8448 1 13 . 1 1 76 76 GLU N N 76 116.661 116.661 120.175 -3.514 25150 8449 1 13 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.083 0.057 25150 8450 1 13 . 1 1 76 76 GLU C C 76 176.624 176.624 176.938 -0.314 25150 8451 1 13 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.283 0.757 25150 8452 1 13 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.874 1.036 25150 8453 1 13 . 1 1 76 76 GLU H H 76 8.356 8.356 8.529 -0.173 25150 8454 1 13 . 1 1 77 77 ASN N N 77 118.469 118.469 119.621 -1.152 25150 8455 1 13 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.744 0.366 25150 8456 1 13 . 1 1 77 77 ASN C C 77 176.525 176.525 174.016 2.509 25150 8457 1 13 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.723 -0.483 25150 8458 1 13 . 1 1 77 77 ASN CB C 77 39.710 39.710 37.567 2.143 25150 8459 1 13 . 1 1 77 77 ASN H H 77 8.614 8.614 8.306 0.308 25150 8460 1 13 . 1 1 78 78 ILE N N 78 117.605 117.605 123.565 -5.960 25150 8461 1 13 . 1 1 78 78 ILE CA C 78 59.390 59.390 57.020 2.369 25150 8462 1 13 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.236 4.404 25150 8463 1 13 . 1 1 78 78 ILE H H 78 7.736 7.736 7.743 -0.007 25150 8464 1 13 . 1 1 79 79 PRO C C 79 176.134 176.134 175.433 0.701 25150 8465 1 13 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.851 0.979 25150 8466 1 13 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.127 -0.967 25150 8467 1 13 . 1 1 80 80 VAL N N 80 123.378 123.378 120.503 2.875 25150 8468 1 13 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.220 0.610 25150 8469 1 13 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.750 -2.830 25150 8470 1 13 . 1 1 80 80 VAL H H 80 8.297 8.297 8.665 -0.368 25150 8471 1 13 . 1 1 82 82 PRO C C 82 176.169 176.169 176.492 -0.323 25150 8472 1 13 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.760 -0.049 25150 8473 1 13 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.816 -0.146 25150 8474 1 13 . 1 1 83 83 HIS N N 83 121.199 121.199 114.161 7.038 25150 8475 1 13 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.803 0.039 25150 8476 1 13 . 1 1 83 83 HIS C C 83 173.457 173.457 174.241 -0.784 25150 8477 1 13 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.801 -1.121 25150 8478 1 13 . 1 1 83 83 HIS CB C 83 31.230 31.230 29.860 1.370 25150 8479 1 13 . 1 1 83 83 HIS H H 83 10.996 10.996 8.709 2.287 25150 8480 1 13 . 1 1 84 84 VAL N N 84 121.050 121.050 120.400 0.650 25150 8481 1 13 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.867 -0.090 25150 8482 1 13 . 1 1 84 84 VAL C C 84 175.155 175.155 174.353 0.802 25150 8483 1 13 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.753 0.347 25150 8484 1 13 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.939 0.171 25150 8485 1 13 . 1 1 84 84 VAL H H 84 8.058 8.058 7.415 0.643 25150 8486 1 13 . 1 1 85 85 TYR N N 85 126.195 126.195 124.600 1.595 25150 8487 1 13 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.627 0.058 25150 8488 1 13 . 1 1 85 85 TYR C C 85 179.268 179.268 176.805 2.463 25150 8489 1 13 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.306 2.084 25150 8490 1 13 . 1 1 85 85 TYR CB C 85 41.270 41.270 41.191 0.078 25150 8491 1 13 . 1 1 85 85 TYR H H 85 9.136 9.136 8.902 0.234 25150 8492 1 13 . 1 1 86 86 SER N N 86 115.546 115.546 117.471 -1.925 25150 8493 1 13 . 1 1 86 86 SER HA H 86 3.935 3.935 4.205 -0.270 25150 8494 1 13 . 1 1 86 86 SER C C 86 174.309 174.309 175.052 -0.743 25150 8495 1 13 . 1 1 86 86 SER CA C 86 61.890 61.890 60.316 1.574 25150 8496 1 13 . 1 1 86 86 SER CB C 86 62.230 62.230 63.407 -1.177 25150 8497 1 13 . 1 1 86 86 SER H H 86 10.052 10.052 8.932 1.120 25150 8498 1 13 . 1 1 87 87 ASN N N 87 116.470 116.470 115.856 0.614 25150 8499 1 13 . 1 1 87 87 ASN C C 87 175.624 175.624 176.390 -0.766 25150 8500 1 13 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.505 -0.165 25150 8501 1 13 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.622 -0.132 25150 8502 1 13 . 1 1 87 87 ASN H H 87 7.331 7.331 8.044 -0.713 25150 8503 1 13 . 1 1 88 88 GLY N N 88 108.412 108.412 108.144 0.268 25150 8504 1 13 . 1 1 88 88 GLY C C 88 174.247 174.247 174.195 0.052 25150 8505 1 13 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.364 0.546 25150 8506 1 13 . 1 1 88 88 GLY H H 88 8.737 8.737 8.340 0.397 25150 8507 1 13 . 1 1 89 89 HIS N N 89 119.508 119.508 121.799 -2.291 25150 8508 1 13 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.450 -1.150 25150 8509 1 13 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.588 1.272 25150 8510 1 13 . 1 1 89 89 HIS H H 89 7.494 7.494 8.767 -1.273 25150 8511 1 13 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.536 -0.122 25150 8512 1 13 . 1 1 90 90 ILE C C 90 174.510 174.510 175.175 -0.665 25150 8513 1 13 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.000 -1.680 25150 8514 1 13 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.227 0.053 25150 8515 1 13 . 1 1 91 91 CYS N N 91 123.587 123.587 128.304 -4.717 25150 8516 1 13 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.868 5.712 25150 8517 1 13 . 1 1 91 91 CYS CB C 91 33.390 33.390 27.305 6.085 25150 8518 1 13 . 1 1 91 91 CYS H H 91 7.304 7.304 8.999 -1.695 25150 8519 1 13 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.848 -0.178 25150 8520 1 13 . 1 1 92 92 LEU C C 92 175.822 175.822 177.972 -2.150 25150 8521 1 13 . 1 1 92 92 LEU CA C 92 59.460 59.460 52.841 6.619 25150 8522 1 13 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.100 -3.680 25150 8523 1 13 . 1 1 93 93 SER N N 93 111.707 111.707 119.959 -8.252 25150 8524 1 13 . 1 1 93 93 SER HA H 93 4.331 4.331 4.418 -0.087 25150 8525 1 13 . 1 1 93 93 SER C C 93 177.433 177.433 176.481 0.952 25150 8526 1 13 . 1 1 93 93 SER CA C 93 62.150 62.150 60.897 1.253 25150 8527 1 13 . 1 1 93 93 SER H H 93 9.037 9.037 8.801 0.236 25150 8528 1 13 . 1 1 94 94 ILE N N 94 118.993 118.993 116.631 2.362 25150 8529 1 13 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.971 169.567 25150 8530 1 13 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.545 0.765 25150 8531 1 13 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.403 0.497 25150 8532 1 13 . 1 1 94 94 ILE H H 94 7.859 7.859 8.124 -0.265 25150 8533 1 13 . 1 1 95 95 LEU N N 95 113.763 113.763 117.446 -3.683 25150 8534 1 13 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.340 0.312 25150 8535 1 13 . 1 1 95 95 LEU C C 95 178.458 178.458 177.278 1.180 25150 8536 1 13 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.519 -0.189 25150 8537 1 13 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.265 -0.185 25150 8538 1 13 . 1 1 95 95 LEU H H 95 7.351 7.351 7.683 -0.332 25150 8539 1 13 . 1 1 96 96 THR N N 96 109.929 109.929 109.368 0.561 25150 8540 1 13 . 1 1 96 96 THR HA H 96 4.338 4.338 4.256 0.082 25150 8541 1 13 . 1 1 96 96 THR C C 96 175.947 175.947 176.704 -0.757 25150 8542 1 13 . 1 1 96 96 THR CA C 96 60.960 60.960 62.695 -1.735 25150 8543 1 13 . 1 1 96 96 THR CB C 96 69.280 69.280 69.377 -0.097 25150 8544 1 13 . 1 1 96 96 THR H H 96 7.794 7.794 7.676 0.118 25150 8545 1 13 . 1 1 97 97 GLU N N 97 123.314 123.314 121.259 2.055 25150 8546 1 13 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.190 0.127 25150 8547 1 13 . 1 1 97 97 GLU C C 97 176.907 176.907 177.384 -0.477 25150 8548 1 13 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.706 -0.027 25150 8549 1 13 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.881 0.909 25150 8550 1 13 . 1 1 97 97 GLU H H 97 8.913 8.913 8.055 0.858 25150 8551 1 13 . 1 1 98 98 ASP N N 98 116.420 116.420 117.395 -0.975 25150 8552 1 13 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.551 0.639 25150 8553 1 13 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.008 0.492 25150 8554 1 13 . 1 1 98 98 ASP H H 98 8.124 8.124 8.052 0.072 25150 8555 1 13 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.566 -0.146 25150 8556 1 13 . 1 1 99 99 TRP C C 99 176.495 176.495 175.526 0.969 25150 8557 1 13 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.681 0.749 25150 8558 1 13 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.112 -0.532 25150 8559 1 13 . 1 1 100 100 SER N N 100 120.993 120.993 121.175 -0.182 25150 8560 1 13 . 1 1 100 100 SER CA C 100 55.370 55.370 53.962 1.408 25150 8561 1 13 . 1 1 100 100 SER CB C 100 64.860 64.860 64.760 0.100 25150 8562 1 13 . 1 1 100 100 SER H H 100 5.703 5.703 6.806 -1.103 25150 8563 1 13 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.307 -0.114 25150 8564 1 13 . 1 1 101 101 PRO C C 101 175.227 175.227 176.354 -1.127 25150 8565 1 13 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.625 -0.925 25150 8566 1 13 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.823 -0.403 25150 8567 1 13 . 1 1 102 102 ALA N N 102 118.668 118.668 117.626 1.042 25150 8568 1 13 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.106 -0.012 25150 8569 1 13 . 1 1 102 102 ALA C C 102 178.797 178.797 177.787 1.010 25150 8570 1 13 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.367 0.463 25150 8571 1 13 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.866 0.144 25150 8572 1 13 . 1 1 102 102 ALA H H 102 7.290 7.290 7.214 0.076 25150 8573 1 13 . 1 1 103 103 LEU N N 103 119.365 119.365 119.617 -0.252 25150 8574 1 13 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.362 -0.152 25150 8575 1 13 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.227 -0.517 25150 8576 1 13 . 1 1 103 103 LEU H H 103 7.263 7.263 7.110 0.153 25150 8577 1 13 . 1 1 104 104 SER HA H 104 4.381 4.381 4.807 -0.426 25150 8578 1 13 . 1 1 104 104 SER C C 104 175.278 175.278 175.710 -0.432 25150 8579 1 13 . 1 1 104 104 SER CA C 104 56.500 56.500 56.689 -0.189 25150 8580 1 13 . 1 1 104 104 SER CB C 104 66.770 66.770 66.109 0.660 25150 8581 1 13 . 1 1 105 105 VAL N N 105 123.025 123.025 122.344 0.681 25150 8582 1 13 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.813 -0.201 25150 8583 1 13 . 1 1 105 105 VAL C C 105 179.053 179.053 177.347 1.706 25150 8584 1 13 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.954 1.116 25150 8585 1 13 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.601 0.019 25150 8586 1 13 . 1 1 105 105 VAL H H 105 9.841 9.841 9.154 0.687 25150 8587 1 13 . 1 1 106 106 GLN N N 106 121.218 121.218 120.299 0.919 25150 8588 1 13 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.930 -0.075 25150 8589 1 13 . 1 1 106 106 GLN C C 106 177.698 177.698 178.276 -0.578 25150 8590 1 13 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.475 1.655 25150 8591 1 13 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.384 -0.154 25150 8592 1 13 . 1 1 106 106 GLN H H 106 9.109 9.109 8.635 0.474 25150 8593 1 13 . 1 1 107 107 SER N N 107 115.531 115.531 116.318 -0.787 25150 8594 1 13 . 1 1 107 107 SER C C 107 177.828 177.828 176.862 0.966 25150 8595 1 13 . 1 1 107 107 SER CA C 107 62.500 62.500 62.473 0.027 25150 8596 1 13 . 1 1 107 107 SER CB C 107 62.670 62.670 62.834 -0.164 25150 8597 1 13 . 1 1 107 107 SER H H 107 8.209 8.209 8.175 0.034 25150 8598 1 13 . 1 1 108 108 VAL N N 108 123.756 123.756 122.298 1.458 25150 8599 1 13 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.713 -0.052 25150 8600 1 13 . 1 1 108 108 VAL C C 108 178.087 178.087 177.770 0.317 25150 8601 1 13 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.698 0.272 25150 8602 1 13 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.852 -0.142 25150 8603 1 13 . 1 1 108 108 VAL H H 108 8.256 8.256 7.878 0.378 25150 8604 1 13 . 1 1 109 109 CYS N N 109 118.175 118.175 118.205 -0.030 25150 8605 1 13 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.188 -0.253 25150 8606 1 13 . 1 1 109 109 CYS C C 109 176.918 176.918 176.924 -0.006 25150 8607 1 13 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.513 1.377 25150 8608 1 13 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.950 0.850 25150 8609 1 13 . 1 1 109 109 CYS H H 109 8.781 8.781 8.489 0.292 25150 8610 1 13 . 1 1 110 110 LEU N N 110 118.491 118.491 121.391 -2.900 25150 8611 1 13 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.929 0.181 25150 8612 1 13 . 1 1 110 110 LEU C C 110 180.150 180.150 178.907 1.243 25150 8613 1 13 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.370 0.110 25150 8614 1 13 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.436 -0.426 25150 8615 1 13 . 1 1 110 110 LEU H H 110 8.543 8.543 8.788 -0.245 25150 8616 1 13 . 1 1 111 111 SER N N 111 117.917 117.917 116.101 1.816 25150 8617 1 13 . 1 1 111 111 SER C C 111 177.009 177.009 176.703 0.306 25150 8618 1 13 . 1 1 111 111 SER CA C 111 63.050 63.050 62.665 0.385 25150 8619 1 13 . 1 1 111 111 SER CB C 111 62.980 62.980 62.763 0.217 25150 8620 1 13 . 1 1 111 111 SER H H 111 8.181 8.181 8.178 0.003 25150 8621 1 13 . 1 1 112 112 ILE N N 112 124.764 124.764 123.398 1.366 25150 8622 1 13 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.635 0.038 25150 8623 1 13 . 1 1 112 112 ILE C C 112 177.441 177.441 177.848 -0.407 25150 8624 1 13 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.569 -0.139 25150 8625 1 13 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.807 0.143 25150 8626 1 13 . 1 1 112 112 ILE H H 112 8.249 8.249 7.943 0.306 25150 8627 1 13 . 1 1 113 113 ILE N N 113 121.123 121.123 121.140 -0.017 25150 8628 1 13 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.593 0.003 25150 8629 1 13 . 1 1 113 113 ILE C C 113 179.525 179.525 178.333 1.192 25150 8630 1 13 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.977 0.283 25150 8631 1 13 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.681 1.099 25150 8632 1 13 . 1 1 113 113 ILE H H 113 8.415 8.415 8.475 -0.060 25150 8633 1 13 . 1 1 114 114 SER N N 114 115.247 115.247 115.528 -0.281 25150 8634 1 13 . 1 1 114 114 SER HA H 114 4.300 4.300 4.167 0.133 25150 8635 1 13 . 1 1 114 114 SER C C 114 176.915 176.915 176.518 0.397 25150 8636 1 13 . 1 1 114 114 SER CA C 114 61.510 61.510 61.983 -0.473 25150 8637 1 13 . 1 1 114 114 SER CB C 114 62.990 62.990 63.069 -0.078 25150 8638 1 13 . 1 1 114 114 SER H H 114 8.241 8.241 8.277 -0.036 25150 8639 1 13 . 1 1 115 115 MET N N 115 122.921 122.921 122.667 0.254 25150 8640 1 13 . 1 1 115 115 MET C C 115 179.552 179.552 177.380 2.172 25150 8641 1 13 . 1 1 115 115 MET CA C 115 59.030 59.030 58.944 0.086 25150 8642 1 13 . 1 1 115 115 MET CB C 115 33.040 33.040 32.526 0.514 25150 8643 1 13 . 1 1 115 115 MET H H 115 8.216 8.216 8.071 0.145 25150 8644 1 13 . 1 1 116 116 LEU N N 116 120.553 120.553 116.427 4.126 25150 8645 1 13 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.951 0.126 25150 8646 1 13 . 1 1 116 116 LEU C C 116 179.264 179.264 179.070 0.194 25150 8647 1 13 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.095 1.675 25150 8648 1 13 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.719 -1.089 25150 8649 1 13 . 1 1 116 116 LEU H H 116 7.981 7.981 8.080 -0.099 25150 8650 1 13 . 1 1 117 117 SER N N 117 114.100 114.100 112.640 1.460 25150 8651 1 13 . 1 1 117 117 SER HA H 117 4.342 4.342 4.400 -0.058 25150 8652 1 13 . 1 1 117 117 SER C C 117 175.042 175.042 175.232 -0.190 25150 8653 1 13 . 1 1 117 117 SER CA C 117 61.700 61.700 60.087 1.613 25150 8654 1 13 . 1 1 117 117 SER CB C 117 63.120 63.120 63.821 -0.701 25150 8655 1 13 . 1 1 117 117 SER H H 117 8.467 8.467 8.079 0.388 25150 8656 1 13 . 1 1 118 118 SER N N 118 113.628 113.628 117.857 -4.229 25150 8657 1 13 . 1 1 118 118 SER HA H 118 4.485 4.485 4.688 -0.203 25150 8658 1 13 . 1 1 118 118 SER C C 118 174.142 174.142 173.636 0.506 25150 8659 1 13 . 1 1 118 118 SER CA C 118 59.000 59.000 56.494 2.506 25150 8660 1 13 . 1 1 118 118 SER CB C 118 64.040 64.040 63.546 0.494 25150 8661 1 13 . 1 1 118 118 SER H H 118 8.037 8.037 7.867 0.170 25150 8662 1 13 . 1 1 119 119 CYS N N 119 122.293 122.293 128.127 -5.834 25150 8663 1 13 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.902 -0.712 25150 8664 1 13 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.444 -0.174 25150 8665 1 13 . 1 1 119 119 CYS H H 119 7.250 7.250 8.726 -1.476 25150 8666 1 13 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.529 0.011 25150 8667 1 13 . 1 1 120 120 LYS C C 120 176.345 176.345 176.089 0.256 25150 8668 1 13 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.158 9.892 25150 8669 1 13 . 1 1 120 120 LYS CB C 120 33.550 33.550 33.495 0.055 25150 8670 1 13 . 1 1 121 121 GLU N N 121 120.936 120.936 117.882 3.054 25150 8671 1 13 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.450 -0.221 25150 8672 1 13 . 1 1 121 121 GLU C C 121 174.053 174.053 175.370 -1.317 25150 8673 1 13 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.524 0.666 25150 8674 1 13 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.323 1.367 25150 8675 1 13 . 1 1 121 121 GLU H H 121 7.700 7.700 8.274 -0.574 25150 8676 1 13 . 1 1 122 122 LYS N N 122 127.472 127.472 122.125 5.347 25150 8677 1 13 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.290 -0.428 25150 8678 1 13 . 1 1 122 122 LYS C C 122 174.440 174.440 176.271 -1.831 25150 8679 1 13 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.551 1.729 25150 8680 1 13 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.682 -0.272 25150 8681 1 13 . 1 1 122 122 LYS H H 122 8.890 8.890 8.461 0.429 25150 8682 1 13 . 1 1 123 123 ARG N N 123 123.268 123.268 123.125 0.143 25150 8683 1 13 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.584 -0.314 25150 8684 1 13 . 1 1 123 123 ARG C C 123 172.653 172.653 175.757 -3.104 25150 8685 1 13 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.209 -0.629 25150 8686 1 13 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.570 -0.340 25150 8687 1 13 . 1 1 123 123 ARG H H 123 6.841 6.841 8.548 -1.707 25150 8688 1 13 . 1 1 124 124 ARG N N 124 116.787 116.787 123.884 -7.097 25150 8689 1 13 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.473 0.237 25150 8690 1 13 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.702 -0.622 25150 8691 1 13 . 1 1 124 124 ARG H H 124 8.044 8.044 8.368 -0.324 25150 8692 1 13 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.390 0.410 25150 8693 1 13 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.070 -0.290 25150 8694 1 13 . 1 1 127 127 ASP N N 127 115.165 115.165 117.655 -2.490 25150 8695 1 13 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.685 0.439 25150 8696 1 13 . 1 1 127 127 ASP C C 127 172.871 172.871 176.119 -3.248 25150 8697 1 13 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.271 -0.601 25150 8698 1 13 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.950 -1.810 25150 8699 1 13 . 1 1 127 127 ASP H H 127 8.711 8.711 7.971 0.740 25150 8700 1 13 . 1 1 128 128 ASN N N 128 127.858 127.858 123.704 4.154 25150 8701 1 13 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.545 0.935 25150 8702 1 13 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.571 -0.011 25150 8703 1 13 . 1 1 128 128 ASN H H 128 8.502 8.502 9.048 -0.546 25150 8704 1 13 . 1 1 129 129 SER C C 129 176.346 176.346 176.173 0.173 25150 8705 1 13 . 1 1 129 129 SER CA C 129 62.330 62.330 61.345 0.985 25150 8706 1 13 . 1 1 130 130 PHE N N 130 121.897 121.897 125.017 -3.120 25150 8707 1 13 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.200 -0.080 25150 8708 1 13 . 1 1 130 130 PHE C C 130 177.740 177.740 176.949 0.791 25150 8709 1 13 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.825 -0.865 25150 8710 1 13 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.036 0.723 25150 8711 1 13 . 1 1 130 130 PHE H H 130 8.022 8.022 8.356 -0.334 25150 8712 1 13 . 1 1 131 131 TYR N N 131 122.173 122.173 120.950 1.223 25150 8713 1 13 . 1 1 131 131 TYR HA H 131 3.746 3.746 3.990 -0.244 25150 8714 1 13 . 1 1 131 131 TYR C C 131 178.140 178.140 177.087 1.053 25150 8715 1 13 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.697 0.593 25150 8716 1 13 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.468 1.072 25150 8717 1 13 . 1 1 131 131 TYR H H 131 8.871 8.871 8.204 0.667 25150 8718 1 13 . 1 1 132 132 VAL N N 132 116.993 116.993 117.320 -0.327 25150 8719 1 13 . 1 1 132 132 VAL C C 132 178.082 178.082 178.132 -0.050 25150 8720 1 13 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.067 0.263 25150 8721 1 13 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.622 -0.172 25150 8722 1 13 . 1 1 132 132 VAL H H 132 8.551 8.551 7.795 0.756 25150 8723 1 13 . 1 1 133 133 ARG N N 133 118.860 118.860 117.183 1.677 25150 8724 1 13 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.708 0.272 25150 8725 1 13 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.597 -0.347 25150 8726 1 13 . 1 1 133 133 ARG H H 133 7.545 7.545 8.123 -0.578 25150 8727 1 13 . 1 1 134 134 THR CA C 134 62.280 62.280 60.046 2.234 25150 8728 1 13 . 1 1 134 134 THR CB C 134 69.790 69.790 68.751 1.039 25150 8729 1 13 . 1 1 135 135 CYS N N 135 125.959 125.959 119.109 6.850 25150 8730 1 13 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.623 -0.863 25150 8731 1 13 . 1 1 135 135 CYS CB C 135 39.010 39.010 26.672 12.338 25150 8732 1 13 . 1 1 135 135 CYS H H 135 7.881 7.881 7.270 0.611 25150 8733 1 13 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.741 -0.731 25150 8734 1 13 . 1 1 136 136 ASN C C 136 177.768 177.768 175.467 2.301 25150 8735 1 13 . 1 1 136 136 ASN CA C 136 54.160 54.160 53.942 0.218 25150 8736 1 13 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.310 0.160 25150 8737 1 13 . 1 1 137 137 LYS N N 137 119.224 119.224 119.095 0.129 25150 8738 1 13 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.446 -0.250 25150 8739 1 13 . 1 1 137 137 LYS C C 137 176.185 176.185 176.379 -0.194 25150 8740 1 13 . 1 1 137 137 LYS CA C 137 56.980 56.980 57.229 -0.249 25150 8741 1 13 . 1 1 137 137 LYS CB C 137 32.870 32.870 34.078 -1.208 25150 8742 1 13 . 1 1 137 137 LYS H H 137 7.678 7.678 7.807 -0.129 25150 8743 1 13 . 1 1 138 138 ASN N N 138 117.174 117.174 117.211 -0.037 25150 8744 1 13 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.645 -0.116 25150 8745 1 13 . 1 1 138 138 ASN CB C 138 38.940 38.940 39.740 -0.800 25150 8746 1 13 . 1 1 138 138 ASN H H 138 7.969 7.969 8.081 -0.112 25150 8747 1 13 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.719 -0.321 25150 8748 1 13 . 1 1 139 139 PRO C C 139 177.335 177.335 176.947 0.388 25150 8749 1 13 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.654 1.196 25150 8750 1 13 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.688 -0.578 25150 8751 1 13 . 1 1 140 140 LYS N N 140 118.218 118.218 122.034 -3.816 25150 8752 1 13 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.344 28.306 25150 8753 1 13 . 1 1 140 140 LYS C C 140 176.564 176.564 177.435 -0.871 25150 8754 1 13 . 1 1 140 140 LYS CA C 140 56.990 56.990 57.081 -0.091 25150 8755 1 13 . 1 1 140 140 LYS H H 140 8.108 8.108 8.691 -0.583 25150 8756 1 13 . 1 1 141 141 LYS N N 141 119.276 119.276 122.270 -2.994 25150 8757 1 13 . 1 1 141 141 LYS C C 141 177.924 177.924 177.401 0.523 25150 8758 1 13 . 1 1 141 141 LYS CA C 141 56.100 56.100 57.279 -1.179 25150 8759 1 13 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.853 -3.074 25150 8760 1 13 . 1 1 141 141 LYS H H 141 8.135 8.135 8.800 -0.665 25150 8761 1 13 . 1 1 142 142 THR N N 142 115.380 115.380 110.105 5.275 25150 8762 1 13 . 1 1 142 142 THR CA C 142 61.850 61.850 62.819 -0.969 25150 8763 1 13 . 1 1 142 142 THR CB C 142 69.660 69.660 69.296 0.364 25150 8764 1 13 . 1 1 142 142 THR H H 142 8.030 8.030 7.985 0.045 25150 8765 1 13 . 1 1 143 143 LYS C C 143 178.955 178.955 176.698 2.257 25150 8766 1 13 . 1 1 144 144 TRP N N 144 120.470 120.470 114.759 5.711 25150 8767 1 13 . 1 1 144 144 TRP C C 144 176.557 176.557 176.099 0.458 25150 8768 1 13 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.064 1.806 25150 8769 1 13 . 1 1 144 144 TRP CB C 144 33.000 33.000 28.967 4.033 25150 8770 1 13 . 1 1 144 144 TRP H H 144 8.094 8.094 7.754 0.340 25150 8771 1 13 . 1 1 145 145 TRP N N 145 120.330 120.330 122.109 -1.779 25150 8772 1 13 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.926 1.194 25150 8773 1 13 . 1 1 145 145 TRP CB C 145 32.850 32.850 28.489 4.361 25150 8774 1 13 . 1 1 145 145 TRP H H 145 8.488 8.488 6.815 1.673 25150 8775 1 13 . 1 1 146 146 TYR C C 146 174.706 174.706 174.276 0.430 25150 8776 1 13 . 1 1 146 146 TYR CA C 146 57.430 57.430 55.823 1.607 25150 8777 1 13 . 1 1 146 146 TYR CB C 146 38.740 38.740 36.774 1.966 25150 8778 1 13 . 1 1 147 147 HIS N N 147 121.604 121.604 120.615 0.989 25150 8779 1 13 . 1 1 147 147 HIS HA H 147 4.186 4.186 3.744 0.442 25150 8780 1 13 . 1 1 147 147 HIS C C 147 176.874 176.874 175.166 1.708 25150 8781 1 13 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.364 -0.124 25150 8782 1 13 . 1 1 147 147 HIS CB C 147 31.200 31.200 29.419 1.781 25150 8783 1 13 . 1 1 147 147 HIS H H 147 7.886 7.886 6.638 1.248 25150 8784 1 13 . 1 1 148 148 ASP N N 148 122.629 122.629 126.344 -3.715 25150 8785 1 13 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.380 0.164 25150 8786 1 13 . 1 1 148 148 ASP C C 148 175.661 175.661 175.592 0.069 25150 8787 1 13 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.479 0.701 25150 8788 1 13 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.304 0.376 25150 8789 1 13 . 1 1 148 148 ASP H H 148 8.109 8.109 7.825 0.284 25150 8790 1 13 . 1 1 149 149 ASP N N 149 121.321 121.321 121.604 -0.283 25150 8791 1 13 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.564 0.090 25150 8792 1 13 . 1 1 149 149 ASP C C 149 176.551 176.551 176.916 -0.365 25150 8793 1 13 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.438 0.172 25150 8794 1 13 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.228 0.132 25150 8795 1 13 . 1 1 149 149 ASP H H 149 8.395 8.395 8.349 0.046 25150 8796 1 13 . 1 1 150 150 THR N N 150 113.450 113.450 116.475 -3.025 25150 8797 1 13 . 1 1 150 150 THR HA H 150 4.296 4.296 4.311 -0.015 25150 8798 1 13 . 1 1 150 150 THR C C 150 173.994 173.994 174.644 -0.650 25150 8799 1 13 . 1 1 150 150 THR CA C 150 62.310 62.310 64.300 -1.990 25150 8800 1 13 . 1 1 150 150 THR CB C 150 69.870 69.870 69.059 0.811 25150 8801 1 13 . 1 1 150 150 THR H H 150 8.259 8.259 8.346 -0.087 25150 8802 1 14 . 1 1 6 6 LYS HA H 6 4.294 4.294 3.962 0.332 25150 8803 1 14 . 1 1 6 6 LYS C C 6 176.970 176.970 179.027 -2.057 25150 8804 1 14 . 1 1 6 6 LYS CA C 6 58.370 58.370 60.268 -1.898 25150 8805 1 14 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.294 0.186 25150 8806 1 14 . 1 1 7 7 ARG N N 7 119.704 119.704 119.526 0.178 25150 8807 1 14 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.038 0.160 25150 8808 1 14 . 1 1 7 7 ARG C C 7 178.270 178.270 178.799 -0.529 25150 8809 1 14 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.265 -0.235 25150 8810 1 14 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.225 -1.665 25150 8811 1 14 . 1 1 7 7 ARG H H 7 8.599 8.599 8.097 0.502 25150 8812 1 14 . 1 1 8 8 LEU N N 8 119.704 119.704 121.996 -2.292 25150 8813 1 14 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.070 0.020 25150 8814 1 14 . 1 1 8 8 LEU C C 8 178.980 178.980 178.422 0.558 25150 8815 1 14 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.840 0.450 25150 8816 1 14 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.502 0.558 25150 8817 1 14 . 1 1 8 8 LEU H H 8 8.599 8.599 8.621 -0.022 25150 8818 1 14 . 1 1 9 9 GLN N N 9 117.512 117.512 118.218 -0.706 25150 8819 1 14 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.746 0.291 25150 8820 1 14 . 1 1 9 9 GLN C C 9 178.610 178.610 178.285 0.325 25150 8821 1 14 . 1 1 9 9 GLN CA C 9 59.310 59.310 58.633 0.677 25150 8822 1 14 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.161 0.319 25150 8823 1 14 . 1 1 9 9 GLN H H 9 8.066 8.066 8.238 -0.172 25150 8824 1 14 . 1 1 10 10 LYS N N 10 119.556 119.556 119.506 0.050 25150 8825 1 14 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.868 0.212 25150 8826 1 14 . 1 1 10 10 LYS C C 10 180.040 180.040 178.679 1.361 25150 8827 1 14 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.803 -0.123 25150 8828 1 14 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.156 0.304 25150 8829 1 14 . 1 1 10 10 LYS H H 10 7.678 7.678 7.880 -0.202 25150 8830 1 14 . 1 1 11 11 GLU N N 11 120.347 120.347 120.618 -0.271 25150 8831 1 14 . 1 1 11 11 GLU HA H 11 4.176 4.176 3.994 0.182 25150 8832 1 14 . 1 1 11 11 GLU C C 11 178.770 178.770 178.886 -0.116 25150 8833 1 14 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.419 1.621 25150 8834 1 14 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.546 1.114 25150 8835 1 14 . 1 1 11 11 GLU H H 11 8.533 8.533 7.888 0.645 25150 8836 1 14 . 1 1 12 12 LEU N N 12 123.285 123.285 119.728 3.557 25150 8837 1 14 . 1 1 12 12 LEU C C 12 178.570 178.570 179.255 -0.685 25150 8838 1 14 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.517 0.603 25150 8839 1 14 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.520 -0.440 25150 8840 1 14 . 1 1 12 12 LEU H H 12 8.685 8.685 8.210 0.475 25150 8841 1 14 . 1 1 13 13 LEU N N 13 118.881 118.881 119.351 -0.470 25150 8842 1 14 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.984 0.013 25150 8843 1 14 . 1 1 13 13 LEU C C 13 179.260 179.260 179.238 0.022 25150 8844 1 14 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.651 0.249 25150 8845 1 14 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.420 0.470 25150 8846 1 14 . 1 1 13 13 LEU H H 13 7.588 7.588 8.373 -0.785 25150 8847 1 14 . 1 1 14 14 ALA N N 14 120.667 120.667 122.398 -1.731 25150 8848 1 14 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.989 0.201 25150 8849 1 14 . 1 1 14 14 ALA C C 14 176.270 176.270 179.642 -3.372 25150 8850 1 14 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.157 0.033 25150 8851 1 14 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.111 -0.081 25150 8852 1 14 . 1 1 14 14 ALA H H 14 7.617 7.617 7.872 -0.255 25150 8853 1 14 . 1 1 15 15 LEU N N 15 119.965 119.965 117.654 2.311 25150 8854 1 14 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.194 0.256 25150 8855 1 14 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.810 0.450 25150 8856 1 14 . 1 1 15 15 LEU H H 15 7.726 7.726 7.927 -0.201 25150 8857 1 14 . 1 1 16 16 GLN N N 16 115.381 115.381 116.119 -0.738 25150 8858 1 14 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.029 -0.051 25150 8859 1 14 . 1 1 16 16 GLN C C 16 177.950 177.950 177.635 0.315 25150 8860 1 14 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.059 0.402 25150 8861 1 14 . 1 1 16 16 GLN CB C 16 29.790 29.790 29.084 0.706 25150 8862 1 14 . 1 1 16 16 GLN H H 16 8.028 8.028 7.993 0.035 25150 8863 1 14 . 1 1 17 17 ASN N N 17 114.975 114.975 116.862 -1.887 25150 8864 1 14 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.567 0.063 25150 8865 1 14 . 1 1 17 17 ASN C C 17 175.303 175.303 175.556 -0.253 25150 8866 1 14 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.210 -0.330 25150 8867 1 14 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.186 0.664 25150 8868 1 14 . 1 1 17 17 ASN H H 17 8.136 8.136 8.044 0.092 25150 8869 1 14 . 1 1 18 18 ASP N N 18 119.698 119.698 118.027 1.671 25150 8870 1 14 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.390 1.070 25150 8871 1 14 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.212 -0.702 25150 8872 1 14 . 1 1 18 18 ASP H H 18 8.218 8.218 8.208 0.010 25150 8873 1 14 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.347 -0.032 25150 8874 1 14 . 1 1 21 21 PRO C C 21 177.867 177.867 177.760 0.107 25150 8875 1 14 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.183 -0.363 25150 8876 1 14 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.637 -0.067 25150 8877 1 14 . 1 1 22 22 GLY N N 22 111.293 111.293 111.948 -0.655 25150 8878 1 14 . 1 1 22 22 GLY C C 22 174.342 174.342 173.760 0.582 25150 8879 1 14 . 1 1 22 22 GLY CA C 22 45.990 45.990 44.840 1.150 25150 8880 1 14 . 1 1 22 22 GLY H H 22 8.506 8.506 8.593 -0.087 25150 8881 1 14 . 1 1 23 23 MET N N 23 118.966 118.966 121.741 -2.775 25150 8882 1 14 . 1 1 23 23 MET HA H 23 5.699 5.699 5.123 0.576 25150 8883 1 14 . 1 1 23 23 MET C C 23 175.386 175.386 174.521 0.865 25150 8884 1 14 . 1 1 23 23 MET CA C 23 55.270 55.270 55.013 0.257 25150 8885 1 14 . 1 1 23 23 MET CB C 23 35.890 35.890 34.666 1.224 25150 8886 1 14 . 1 1 23 23 MET H H 23 8.017 8.017 7.798 0.219 25150 8887 1 14 . 1 1 24 24 THR N N 24 112.647 112.647 123.023 -10.376 25150 8888 1 14 . 1 1 24 24 THR HA H 24 4.596 4.596 4.688 -0.092 25150 8889 1 14 . 1 1 24 24 THR C C 24 173.407 173.407 173.568 -0.161 25150 8890 1 14 . 1 1 24 24 THR CA C 24 60.850 60.850 61.360 -0.510 25150 8891 1 14 . 1 1 24 24 THR CB C 24 72.360 72.360 71.934 0.426 25150 8892 1 14 . 1 1 24 24 THR H H 24 8.565 8.565 8.898 -0.333 25150 8893 1 14 . 1 1 25 25 LEU N N 25 126.920 126.920 127.615 -0.695 25150 8894 1 14 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.878 -0.582 25150 8895 1 14 . 1 1 25 25 LEU C C 25 175.624 175.624 176.538 -0.914 25150 8896 1 14 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.992 1.178 25150 8897 1 14 . 1 1 25 25 LEU CB C 25 42.710 42.710 43.056 -0.346 25150 8898 1 14 . 1 1 25 25 LEU H H 25 9.189 9.189 8.669 0.520 25150 8899 1 14 . 1 1 26 26 ASN N N 26 127.108 127.108 119.922 7.186 25150 8900 1 14 . 1 1 26 26 ASN C C 26 173.783 173.783 173.271 0.512 25150 8901 1 14 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.558 2.542 25150 8902 1 14 . 1 1 26 26 ASN CB C 26 40.370 40.370 42.007 -1.637 25150 8903 1 14 . 1 1 26 26 ASN H H 26 9.000 9.000 9.107 -0.107 25150 8904 1 14 . 1 1 27 27 GLU N N 27 108.990 108.990 117.092 -8.102 25150 8905 1 14 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.441 1.169 25150 8906 1 14 . 1 1 27 27 GLU H H 27 7.631 7.631 8.411 -0.780 25150 8907 1 14 . 1 1 30 30 VAL C C 30 177.011 177.011 177.138 -0.127 25150 8908 1 14 . 1 1 30 30 VAL CA C 30 55.230 55.230 59.816 -4.586 25150 8909 1 14 . 1 1 30 30 VAL CB C 30 30.860 30.860 34.585 -3.725 25150 8910 1 14 . 1 1 31 31 GLN N N 31 125.960 125.960 120.316 5.644 25150 8911 1 14 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.169 0.261 25150 8912 1 14 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.228 0.902 25150 8913 1 14 . 1 1 31 31 GLN H H 31 7.880 7.880 8.861 -0.981 25150 8914 1 14 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.544 0.116 25150 8915 1 14 . 1 1 34 34 ILE C C 34 178.642 178.642 175.380 3.262 25150 8916 1 14 . 1 1 34 34 ILE CA C 34 54.970 54.970 58.550 -3.580 25150 8917 1 14 . 1 1 34 34 ILE CB C 34 42.000 42.000 41.503 0.497 25150 8918 1 14 . 1 1 35 35 THR N N 35 110.980 110.980 120.765 -9.785 25150 8919 1 14 . 1 1 35 35 THR CA C 35 61.070 61.070 63.340 -2.269 25150 8920 1 14 . 1 1 35 35 THR CB C 35 69.090 69.090 68.357 0.733 25150 8921 1 14 . 1 1 35 35 THR H H 35 7.825 7.825 8.762 -0.937 25150 8922 1 14 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.550 0.074 25150 8923 1 14 . 1 1 36 36 GLN C C 36 174.178 174.178 175.051 -0.873 25150 8924 1 14 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.445 0.645 25150 8925 1 14 . 1 1 36 36 GLN CB C 36 32.290 32.290 33.566 -1.276 25150 8926 1 14 . 1 1 37 37 TRP N N 37 123.942 123.942 121.298 2.644 25150 8927 1 14 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.014 0.562 25150 8928 1 14 . 1 1 37 37 TRP C C 37 174.959 174.959 175.009 -0.050 25150 8929 1 14 . 1 1 37 37 TRP CA C 37 53.630 53.630 56.527 -2.897 25150 8930 1 14 . 1 1 37 37 TRP CB C 37 32.950 32.950 33.503 -0.553 25150 8931 1 14 . 1 1 37 37 TRP H H 37 9.242 9.242 9.326 -0.084 25150 8932 1 14 . 1 1 38 38 ILE N N 38 121.559 121.559 121.249 0.310 25150 8933 1 14 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.238 0.041 25150 8934 1 14 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.118 -0.688 25150 8935 1 14 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.589 -1.349 25150 8936 1 14 . 1 1 38 38 ILE H H 38 8.778 8.778 8.947 -0.169 25150 8937 1 14 . 1 1 39 39 VAL N N 39 128.719 128.719 127.473 1.246 25150 8938 1 14 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.745 -0.164 25150 8939 1 14 . 1 1 39 39 VAL C C 39 175.175 175.175 175.133 0.042 25150 8940 1 14 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.770 0.480 25150 8941 1 14 . 1 1 39 39 VAL CB C 39 35.850 35.850 33.804 2.046 25150 8942 1 14 . 1 1 39 39 VAL H H 39 9.533 9.533 9.212 0.321 25150 8943 1 14 . 1 1 40 40 ASP N N 40 128.451 128.451 129.133 -0.682 25150 8944 1 14 . 1 1 40 40 ASP HA H 40 5.218 5.218 4.828 0.390 25150 8945 1 14 . 1 1 40 40 ASP C C 40 175.157 175.157 174.926 0.231 25150 8946 1 14 . 1 1 40 40 ASP CA C 40 55.310 55.310 54.222 1.087 25150 8947 1 14 . 1 1 40 40 ASP CB C 40 42.500 42.500 41.932 0.568 25150 8948 1 14 . 1 1 40 40 ASP H H 40 9.165 9.165 9.077 0.088 25150 8949 1 14 . 1 1 41 41 MET N N 41 120.544 120.544 122.282 -1.738 25150 8950 1 14 . 1 1 41 41 MET HA H 41 5.467 5.467 5.356 0.111 25150 8951 1 14 . 1 1 41 41 MET C C 41 173.590 173.590 174.163 -0.573 25150 8952 1 14 . 1 1 41 41 MET CA C 41 54.610 54.610 53.923 0.687 25150 8953 1 14 . 1 1 41 41 MET CB C 41 37.490 37.490 37.357 0.133 25150 8954 1 14 . 1 1 41 41 MET H H 41 8.756 8.756 8.844 -0.088 25150 8955 1 14 . 1 1 42 42 GLU N N 42 125.740 125.740 123.252 2.488 25150 8956 1 14 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.098 -0.088 25150 8957 1 14 . 1 1 42 42 GLU C C 42 177.323 177.323 176.988 0.335 25150 8958 1 14 . 1 1 42 42 GLU CA C 42 54.480 54.480 53.827 0.653 25150 8959 1 14 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.590 -1.330 25150 8960 1 14 . 1 1 42 42 GLU H H 42 8.706 8.706 8.333 0.373 25150 8961 1 14 . 1 1 43 43 GLY N N 43 111.314 111.314 112.909 -1.595 25150 8962 1 14 . 1 1 43 43 GLY C C 43 174.121 174.121 173.572 0.549 25150 8963 1 14 . 1 1 43 43 GLY CA C 43 45.390 45.390 44.972 0.418 25150 8964 1 14 . 1 1 43 43 GLY H H 43 8.917 8.917 8.738 0.179 25150 8965 1 14 . 1 1 44 44 ALA N N 44 128.665 128.665 125.407 3.258 25150 8966 1 14 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.254 0.806 25150 8967 1 14 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.882 -0.412 25150 8968 1 14 . 1 1 44 44 ALA H H 44 8.918 8.918 8.547 0.371 25150 8969 1 14 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.249 0.051 25150 8970 1 14 . 1 1 45 45 PRO C C 45 177.598 177.598 177.598 0.000 25150 8971 1 14 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.640 -0.230 25150 8972 1 14 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.621 0.169 25150 8973 1 14 . 1 1 46 46 GLY N N 46 111.319 111.319 112.750 -1.431 25150 8974 1 14 . 1 1 46 46 GLY C C 46 174.290 174.290 174.361 -0.071 25150 8975 1 14 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.395 0.514 25150 8976 1 14 . 1 1 46 46 GLY H H 46 9.449 9.449 9.459 -0.010 25150 8977 1 14 . 1 1 47 47 THR N N 47 107.981 107.981 111.971 -3.990 25150 8978 1 14 . 1 1 47 47 THR HA H 47 4.801 4.801 4.743 0.058 25150 8979 1 14 . 1 1 47 47 THR C C 47 176.158 176.158 176.102 0.056 25150 8980 1 14 . 1 1 47 47 THR CA C 47 60.380 60.380 59.228 1.152 25150 8981 1 14 . 1 1 47 47 THR CB C 47 73.420 73.420 71.935 1.485 25150 8982 1 14 . 1 1 47 47 THR H H 47 7.426 7.426 7.465 -0.039 25150 8983 1 14 . 1 1 48 48 LEU N N 48 119.132 119.132 120.683 -1.551 25150 8984 1 14 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.159 -0.102 25150 8985 1 14 . 1 1 48 48 LEU C C 48 175.907 175.907 177.056 -1.149 25150 8986 1 14 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.665 -0.175 25150 8987 1 14 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.367 0.253 25150 8988 1 14 . 1 1 48 48 LEU H H 48 8.966 8.966 8.932 0.034 25150 8989 1 14 . 1 1 49 49 TYR N N 49 113.649 113.649 115.241 -1.592 25150 8990 1 14 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.969 -0.144 25150 8991 1 14 . 1 1 49 49 TYR C C 49 174.634 174.634 175.808 -1.174 25150 8992 1 14 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.536 -0.426 25150 8993 1 14 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.962 -0.572 25150 8994 1 14 . 1 1 49 49 TYR H H 49 7.205 7.205 7.837 -0.632 25150 8995 1 14 . 1 1 50 50 GLU N N 50 122.006 122.006 121.929 0.077 25150 8996 1 14 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.190 -0.713 25150 8997 1 14 . 1 1 50 50 GLU C C 50 177.182 177.182 177.495 -0.313 25150 8998 1 14 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.216 -0.116 25150 8999 1 14 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.680 1.361 25150 9000 1 14 . 1 1 50 50 GLU H H 50 6.934 6.934 7.441 -0.507 25150 9001 1 14 . 1 1 51 51 GLY N N 51 115.165 115.165 115.991 -0.826 25150 9002 1 14 . 1 1 51 51 GLY C C 51 173.997 173.997 174.112 -0.115 25150 9003 1 14 . 1 1 51 51 GLY CA C 51 45.500 45.500 45.057 0.443 25150 9004 1 14 . 1 1 51 51 GLY H H 51 8.752 8.752 8.600 0.152 25150 9005 1 14 . 1 1 52 52 GLU N N 52 120.251 120.251 122.085 -1.834 25150 9006 1 14 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.459 -0.489 25150 9007 1 14 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.329 0.111 25150 9008 1 14 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.960 1.740 25150 9009 1 14 . 1 1 52 52 GLU H H 52 7.900 7.900 8.299 -0.399 25150 9010 1 14 . 1 1 53 53 LYS N N 53 120.435 120.435 124.057 -3.622 25150 9011 1 14 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.585 -0.899 25150 9012 1 14 . 1 1 53 53 LYS C C 53 175.285 175.285 176.288 -1.003 25150 9013 1 14 . 1 1 53 53 LYS CA C 53 55.380 55.380 54.773 0.607 25150 9014 1 14 . 1 1 53 53 LYS CB C 53 34.060 34.060 35.276 -1.216 25150 9015 1 14 . 1 1 53 53 LYS H H 53 8.046 8.046 8.484 -0.438 25150 9016 1 14 . 1 1 54 54 PHE N N 54 122.724 122.724 117.313 5.411 25150 9017 1 14 . 1 1 54 54 PHE HA H 54 5.520 5.520 5.022 0.498 25150 9018 1 14 . 1 1 54 54 PHE C C 54 175.151 175.151 172.778 2.373 25150 9019 1 14 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.640 -1.950 25150 9020 1 14 . 1 1 54 54 PHE CB C 54 43.600 43.600 41.580 2.020 25150 9021 1 14 . 1 1 54 54 PHE H H 54 9.082 9.082 8.765 0.317 25150 9022 1 14 . 1 1 55 55 GLN N N 55 121.971 121.971 118.062 3.909 25150 9023 1 14 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.403 -0.052 25150 9024 1 14 . 1 1 55 55 GLN C C 55 173.802 173.802 175.144 -1.342 25150 9025 1 14 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.176 2.024 25150 9026 1 14 . 1 1 55 55 GLN CB C 55 34.320 34.320 33.334 0.986 25150 9027 1 14 . 1 1 55 55 GLN H H 55 10.001 10.001 8.671 1.330 25150 9028 1 14 . 1 1 56 56 LEU N N 56 124.898 124.898 121.503 3.395 25150 9029 1 14 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.376 -0.684 25150 9030 1 14 . 1 1 56 56 LEU C C 56 174.265 174.265 175.289 -1.024 25150 9031 1 14 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.470 -0.050 25150 9032 1 14 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.291 1.399 25150 9033 1 14 . 1 1 56 56 LEU H H 56 9.573 9.573 9.069 0.504 25150 9034 1 14 . 1 1 57 57 LEU N N 57 124.234 124.234 123.798 0.436 25150 9035 1 14 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.158 0.012 25150 9036 1 14 . 1 1 57 57 LEU C C 57 174.551 174.551 174.709 -0.158 25150 9037 1 14 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.441 0.229 25150 9038 1 14 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.103 0.417 25150 9039 1 14 . 1 1 57 57 LEU H H 57 8.890 8.890 8.882 0.008 25150 9040 1 14 . 1 1 58 58 PHE N N 58 124.003 124.003 127.798 -3.795 25150 9041 1 14 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.011 -0.261 25150 9042 1 14 . 1 1 58 58 PHE C C 58 174.407 174.407 174.552 -0.145 25150 9043 1 14 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.998 0.002 25150 9044 1 14 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.151 2.789 25150 9045 1 14 . 1 1 58 58 PHE H H 58 9.134 9.134 9.559 -0.425 25150 9046 1 14 . 1 1 59 59 LYS N N 59 120.089 120.089 124.566 -4.477 25150 9047 1 14 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.516 0.367 25150 9048 1 14 . 1 1 59 59 LYS C C 59 175.192 175.192 174.942 0.250 25150 9049 1 14 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.292 -0.472 25150 9050 1 14 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.974 1.556 25150 9051 1 14 . 1 1 59 59 LYS H H 59 8.732 8.732 8.505 0.227 25150 9052 1 14 . 1 1 60 60 PHE N N 60 123.988 123.988 126.734 -2.746 25150 9053 1 14 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.604 -0.300 25150 9054 1 14 . 1 1 60 60 PHE C C 60 174.636 174.636 175.107 -0.471 25150 9055 1 14 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.334 -0.084 25150 9056 1 14 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.352 0.808 25150 9057 1 14 . 1 1 60 60 PHE H H 60 8.649 8.649 8.638 0.011 25150 9058 1 14 . 1 1 61 61 SER N N 61 117.599 117.599 118.854 -1.255 25150 9059 1 14 . 1 1 61 61 SER C C 61 174.771 174.771 175.029 -0.258 25150 9060 1 14 . 1 1 61 61 SER CA C 61 57.130 57.130 57.065 0.065 25150 9061 1 14 . 1 1 61 61 SER CB C 61 66.030 66.030 65.220 0.810 25150 9062 1 14 . 1 1 61 61 SER H H 61 8.066 8.066 8.675 -0.609 25150 9063 1 14 . 1 1 62 62 SER N N 62 119.994 119.994 114.659 5.335 25150 9064 1 14 . 1 1 62 62 SER CA C 62 61.650 61.650 59.613 2.037 25150 9065 1 14 . 1 1 62 62 SER H H 62 8.265 8.265 8.750 -0.485 25150 9066 1 14 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.577 -0.127 25150 9067 1 14 . 1 1 63 63 ARG C C 63 175.086 175.086 176.682 -1.596 25150 9068 1 14 . 1 1 63 63 ARG CA C 63 57.670 57.670 54.649 3.021 25150 9069 1 14 . 1 1 63 63 ARG CB C 63 30.050 30.050 31.371 -1.321 25150 9070 1 14 . 1 1 64 64 TYR N N 64 120.957 120.957 126.391 -5.434 25150 9071 1 14 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.984 0.696 25150 9072 1 14 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.167 -0.447 25150 9073 1 14 . 1 1 64 64 TYR H H 64 7.471 7.471 8.279 -0.808 25150 9074 1 14 . 1 1 65 65 PRO HA H 65 3.670 3.670 4.435 -0.765 25150 9075 1 14 . 1 1 65 65 PRO C C 65 174.345 174.345 177.143 -2.798 25150 9076 1 14 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.637 0.823 25150 9077 1 14 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.741 2.629 25150 9078 1 14 . 1 1 66 66 PHE N N 66 126.070 126.070 122.450 3.620 25150 9079 1 14 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.259 -0.016 25150 9080 1 14 . 1 1 66 66 PHE C C 66 175.867 175.867 175.019 0.848 25150 9081 1 14 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.434 -0.354 25150 9082 1 14 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.613 -1.603 25150 9083 1 14 . 1 1 66 66 PHE H H 66 8.630 8.630 8.221 0.409 25150 9084 1 14 . 1 1 67 67 ASP N N 67 118.021 118.021 118.169 -0.148 25150 9085 1 14 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.749 -0.790 25150 9086 1 14 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.429 -47.799 25150 9087 1 14 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.944 -8.104 25150 9088 1 14 . 1 1 67 67 ASP H H 67 7.126 7.126 8.524 -1.398 25150 9089 1 14 . 1 1 68 68 SER N N 68 120.730 120.730 116.225 4.505 25150 9090 1 14 . 1 1 68 68 SER CA C 68 55.750 55.750 55.060 0.690 25150 9091 1 14 . 1 1 68 68 SER CB C 68 61.900 61.900 63.147 -1.247 25150 9092 1 14 . 1 1 68 68 SER H H 68 8.091 8.091 8.133 -0.042 25150 9093 1 14 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.367 -0.011 25150 9094 1 14 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.427 -0.347 25150 9095 1 14 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.605 0.105 25150 9096 1 14 . 1 1 70 70 GLN N N 70 119.493 119.493 120.228 -0.735 25150 9097 1 14 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.180 -0.110 25150 9098 1 14 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.348 1.142 25150 9099 1 14 . 1 1 70 70 GLN H H 70 8.049 8.049 8.037 0.012 25150 9100 1 14 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.642 -0.242 25150 9101 1 14 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.266 -0.456 25150 9102 1 14 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.039 -0.200 25150 9103 1 14 . 1 1 72 72 MET N N 72 120.767 120.767 122.339 -1.572 25150 9104 1 14 . 1 1 72 72 MET HA H 72 4.731 4.731 4.864 -0.133 25150 9105 1 14 . 1 1 72 72 MET C C 72 174.779 174.779 175.037 -0.258 25150 9106 1 14 . 1 1 72 72 MET CA C 72 54.390 54.390 53.714 0.676 25150 9107 1 14 . 1 1 72 72 MET CB C 72 36.140 36.140 37.630 -1.490 25150 9108 1 14 . 1 1 72 72 MET H H 72 8.245 8.245 8.231 0.014 25150 9109 1 14 . 1 1 73 73 PHE N N 73 120.458 120.458 121.023 -0.565 25150 9110 1 14 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.137 0.077 25150 9111 1 14 . 1 1 73 73 PHE C C 73 175.404 175.404 176.539 -1.135 25150 9112 1 14 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.548 1.032 25150 9113 1 14 . 1 1 73 73 PHE CB C 73 40.620 40.620 39.850 0.770 25150 9114 1 14 . 1 1 73 73 PHE H H 73 9.193 9.193 8.783 0.410 25150 9115 1 14 . 1 1 74 74 THR N N 74 113.842 113.842 118.841 -4.999 25150 9116 1 14 . 1 1 74 74 THR HA H 74 4.777 4.777 4.740 0.037 25150 9117 1 14 . 1 1 74 74 THR C C 74 173.551 173.551 173.867 -0.316 25150 9118 1 14 . 1 1 74 74 THR CA C 74 59.580 59.580 61.817 -2.237 25150 9119 1 14 . 1 1 74 74 THR CB C 74 71.300 71.300 71.004 0.296 25150 9120 1 14 . 1 1 74 74 THR H H 74 8.894 8.894 9.126 -0.232 25150 9121 1 14 . 1 1 75 75 GLY N N 75 109.259 109.259 113.558 -4.299 25150 9122 1 14 . 1 1 75 75 GLY C C 75 173.980 173.980 173.615 0.365 25150 9123 1 14 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.823 -0.113 25150 9124 1 14 . 1 1 75 75 GLY H H 75 8.058 8.058 8.038 0.020 25150 9125 1 14 . 1 1 76 76 GLU N N 76 116.661 116.661 118.776 -2.115 25150 9126 1 14 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.237 -0.096 25150 9127 1 14 . 1 1 76 76 GLU C C 76 176.624 176.624 176.928 -0.304 25150 9128 1 14 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.947 1.093 25150 9129 1 14 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.062 0.848 25150 9130 1 14 . 1 1 76 76 GLU H H 76 8.356 8.356 8.431 -0.075 25150 9131 1 14 . 1 1 77 77 ASN N N 77 118.469 118.469 118.235 0.234 25150 9132 1 14 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.690 0.420 25150 9133 1 14 . 1 1 77 77 ASN C C 77 176.525 176.525 175.063 1.462 25150 9134 1 14 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.824 -0.584 25150 9135 1 14 . 1 1 77 77 ASN CB C 77 39.710 39.710 37.649 2.061 25150 9136 1 14 . 1 1 77 77 ASN H H 77 8.614 8.614 8.247 0.367 25150 9137 1 14 . 1 1 78 78 ILE N N 78 117.605 117.605 124.892 -7.287 25150 9138 1 14 . 1 1 78 78 ILE CA C 78 59.390 59.390 59.566 -0.176 25150 9139 1 14 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.436 4.204 25150 9140 1 14 . 1 1 78 78 ILE H H 78 7.736 7.736 7.850 -0.114 25150 9141 1 14 . 1 1 79 79 PRO C C 79 176.134 176.134 176.422 -0.288 25150 9142 1 14 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.800 0.030 25150 9143 1 14 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.705 -0.545 25150 9144 1 14 . 1 1 80 80 VAL N N 80 123.378 123.378 115.318 8.060 25150 9145 1 14 . 1 1 80 80 VAL CA C 80 62.830 62.830 61.201 1.629 25150 9146 1 14 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.913 -1.993 25150 9147 1 14 . 1 1 80 80 VAL H H 80 8.297 8.297 8.304 -0.007 25150 9148 1 14 . 1 1 82 82 PRO C C 82 176.169 176.169 176.237 -0.068 25150 9149 1 14 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.189 0.521 25150 9150 1 14 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.699 -0.029 25150 9151 1 14 . 1 1 83 83 HIS N N 83 121.199 121.199 116.063 5.136 25150 9152 1 14 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.868 -0.027 25150 9153 1 14 . 1 1 83 83 HIS C C 83 173.457 173.457 173.424 0.033 25150 9154 1 14 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.049 -0.369 25150 9155 1 14 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.288 0.942 25150 9156 1 14 . 1 1 83 83 HIS H H 83 10.996 10.996 9.085 1.911 25150 9157 1 14 . 1 1 84 84 VAL N N 84 121.050 121.050 119.357 1.693 25150 9158 1 14 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.648 0.129 25150 9159 1 14 . 1 1 84 84 VAL C C 84 175.155 175.155 173.320 1.835 25150 9160 1 14 . 1 1 84 84 VAL CA C 84 61.100 61.100 59.843 1.257 25150 9161 1 14 . 1 1 84 84 VAL CB C 84 34.110 34.110 35.165 -1.055 25150 9162 1 14 . 1 1 84 84 VAL H H 84 8.058 8.058 7.575 0.483 25150 9163 1 14 . 1 1 85 85 TYR N N 85 126.195 126.195 122.837 3.358 25150 9164 1 14 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.874 -0.189 25150 9165 1 14 . 1 1 85 85 TYR C C 85 179.268 179.268 177.622 1.646 25150 9166 1 14 . 1 1 85 85 TYR CA C 85 59.390 59.390 56.787 2.603 25150 9167 1 14 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.897 0.373 25150 9168 1 14 . 1 1 85 85 TYR H H 85 9.136 9.136 9.258 -0.122 25150 9169 1 14 . 1 1 86 86 SER N N 86 115.546 115.546 117.245 -1.699 25150 9170 1 14 . 1 1 86 86 SER HA H 86 3.935 3.935 4.208 -0.273 25150 9171 1 14 . 1 1 86 86 SER C C 86 174.309 174.309 174.799 -0.490 25150 9172 1 14 . 1 1 86 86 SER CA C 86 61.890 61.890 60.563 1.327 25150 9173 1 14 . 1 1 86 86 SER CB C 86 62.230 62.230 63.189 -0.959 25150 9174 1 14 . 1 1 86 86 SER H H 86 10.052 10.052 8.992 1.060 25150 9175 1 14 . 1 1 87 87 ASN N N 87 116.470 116.470 117.542 -1.072 25150 9176 1 14 . 1 1 87 87 ASN C C 87 175.624 175.624 176.271 -0.647 25150 9177 1 14 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.377 -0.037 25150 9178 1 14 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.171 0.319 25150 9179 1 14 . 1 1 87 87 ASN H H 87 7.331 7.331 7.913 -0.582 25150 9180 1 14 . 1 1 88 88 GLY N N 88 108.412 108.412 107.685 0.727 25150 9181 1 14 . 1 1 88 88 GLY C C 88 174.247 174.247 174.374 -0.127 25150 9182 1 14 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.197 0.713 25150 9183 1 14 . 1 1 88 88 GLY H H 88 8.737 8.737 8.206 0.531 25150 9184 1 14 . 1 1 89 89 HIS N N 89 119.508 119.508 122.562 -3.054 25150 9185 1 14 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.437 -1.137 25150 9186 1 14 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.660 1.200 25150 9187 1 14 . 1 1 89 89 HIS H H 89 7.494 7.494 8.756 -1.262 25150 9188 1 14 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.267 0.147 25150 9189 1 14 . 1 1 90 90 ILE C C 90 174.510 174.510 175.168 -0.658 25150 9190 1 14 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.592 -2.272 25150 9191 1 14 . 1 1 90 90 ILE CB C 90 39.280 39.280 38.905 0.375 25150 9192 1 14 . 1 1 91 91 CYS N N 91 123.587 123.587 129.213 -5.626 25150 9193 1 14 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.340 5.240 25150 9194 1 14 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.625 7.765 25150 9195 1 14 . 1 1 91 91 CYS H H 91 7.304 7.304 8.495 -1.191 25150 9196 1 14 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.730 -0.060 25150 9197 1 14 . 1 1 92 92 LEU C C 92 175.822 175.822 176.759 -0.937 25150 9198 1 14 . 1 1 92 92 LEU CA C 92 59.460 59.460 54.256 5.204 25150 9199 1 14 . 1 1 92 92 LEU CB C 92 41.420 41.420 46.121 -4.701 25150 9200 1 14 . 1 1 93 93 SER N N 93 111.707 111.707 123.675 -11.968 25150 9201 1 14 . 1 1 93 93 SER HA H 93 4.331 4.331 4.298 0.033 25150 9202 1 14 . 1 1 93 93 SER C C 93 177.433 177.433 176.323 1.110 25150 9203 1 14 . 1 1 93 93 SER CA C 93 62.150 62.150 60.574 1.576 25150 9204 1 14 . 1 1 93 93 SER H H 93 9.037 9.037 8.800 0.237 25150 9205 1 14 . 1 1 94 94 ILE N N 94 118.993 118.993 121.151 -2.158 25150 9206 1 14 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.989 169.549 25150 9207 1 14 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.141 1.169 25150 9208 1 14 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.990 -0.090 25150 9209 1 14 . 1 1 94 94 ILE H H 94 7.859 7.859 8.061 -0.202 25150 9210 1 14 . 1 1 95 95 LEU N N 95 113.763 113.763 114.891 -1.128 25150 9211 1 14 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.321 0.331 25150 9212 1 14 . 1 1 95 95 LEU C C 95 178.458 178.458 177.202 1.256 25150 9213 1 14 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.028 0.302 25150 9214 1 14 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.953 0.127 25150 9215 1 14 . 1 1 95 95 LEU H H 95 7.351 7.351 7.702 -0.351 25150 9216 1 14 . 1 1 96 96 THR N N 96 109.929 109.929 110.866 -0.937 25150 9217 1 14 . 1 1 96 96 THR HA H 96 4.338 4.338 4.547 -0.209 25150 9218 1 14 . 1 1 96 96 THR C C 96 175.947 175.947 175.389 0.558 25150 9219 1 14 . 1 1 96 96 THR CA C 96 60.960 60.960 62.156 -1.196 25150 9220 1 14 . 1 1 96 96 THR CB C 96 69.280 69.280 69.730 -0.450 25150 9221 1 14 . 1 1 96 96 THR H H 96 7.794 7.794 7.673 0.121 25150 9222 1 14 . 1 1 97 97 GLU N N 97 123.314 123.314 120.750 2.564 25150 9223 1 14 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.121 0.196 25150 9224 1 14 . 1 1 97 97 GLU C C 97 176.907 176.907 177.078 -0.171 25150 9225 1 14 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.850 -0.170 25150 9226 1 14 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.407 1.383 25150 9227 1 14 . 1 1 97 97 GLU H H 97 8.913 8.913 8.559 0.354 25150 9228 1 14 . 1 1 98 98 ASP N N 98 116.420 116.420 116.812 -0.392 25150 9229 1 14 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.136 0.054 25150 9230 1 14 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.033 0.466 25150 9231 1 14 . 1 1 98 98 ASP H H 98 8.124 8.124 7.935 0.189 25150 9232 1 14 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.505 -0.085 25150 9233 1 14 . 1 1 99 99 TRP C C 99 176.495 176.495 174.823 1.672 25150 9234 1 14 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.829 0.601 25150 9235 1 14 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.220 -0.640 25150 9236 1 14 . 1 1 100 100 SER N N 100 120.993 120.993 119.636 1.357 25150 9237 1 14 . 1 1 100 100 SER CA C 100 55.370 55.370 54.706 0.664 25150 9238 1 14 . 1 1 100 100 SER CB C 100 64.860 64.860 64.626 0.234 25150 9239 1 14 . 1 1 100 100 SER H H 100 5.703 5.703 6.741 -1.038 25150 9240 1 14 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.413 -0.220 25150 9241 1 14 . 1 1 101 101 PRO C C 101 175.227 175.227 176.365 -1.138 25150 9242 1 14 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.565 -0.865 25150 9243 1 14 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.802 -0.382 25150 9244 1 14 . 1 1 102 102 ALA N N 102 118.668 118.668 117.927 0.741 25150 9245 1 14 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.172 -0.078 25150 9246 1 14 . 1 1 102 102 ALA C C 102 178.797 178.797 177.796 1.001 25150 9247 1 14 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.253 0.577 25150 9248 1 14 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.127 -0.117 25150 9249 1 14 . 1 1 102 102 ALA H H 102 7.290 7.290 7.302 -0.012 25150 9250 1 14 . 1 1 103 103 LEU N N 103 119.365 119.365 118.973 0.392 25150 9251 1 14 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.096 0.114 25150 9252 1 14 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.931 -1.221 25150 9253 1 14 . 1 1 103 103 LEU H H 103 7.263 7.263 7.153 0.110 25150 9254 1 14 . 1 1 104 104 SER HA H 104 4.381 4.381 4.986 -0.605 25150 9255 1 14 . 1 1 104 104 SER C C 104 175.278 175.278 175.623 -0.345 25150 9256 1 14 . 1 1 104 104 SER CA C 104 56.500 56.500 56.303 0.197 25150 9257 1 14 . 1 1 104 104 SER CB C 104 66.770 66.770 66.556 0.214 25150 9258 1 14 . 1 1 105 105 VAL N N 105 123.025 123.025 122.635 0.390 25150 9259 1 14 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.730 -0.118 25150 9260 1 14 . 1 1 105 105 VAL C C 105 179.053 179.053 177.661 1.392 25150 9261 1 14 . 1 1 105 105 VAL CA C 105 68.070 68.070 67.207 0.863 25150 9262 1 14 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.479 0.141 25150 9263 1 14 . 1 1 105 105 VAL H H 105 9.841 9.841 9.502 0.339 25150 9264 1 14 . 1 1 106 106 GLN N N 106 121.218 121.218 117.418 3.800 25150 9265 1 14 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.130 -0.275 25150 9266 1 14 . 1 1 106 106 GLN C C 106 177.698 177.698 178.336 -0.638 25150 9267 1 14 . 1 1 106 106 GLN CA C 106 61.130 61.130 58.379 2.751 25150 9268 1 14 . 1 1 106 106 GLN CB C 106 28.230 28.230 27.868 0.362 25150 9269 1 14 . 1 1 106 106 GLN H H 106 9.109 9.109 8.634 0.475 25150 9270 1 14 . 1 1 107 107 SER N N 107 115.531 115.531 117.722 -2.191 25150 9271 1 14 . 1 1 107 107 SER C C 107 177.828 177.828 176.714 1.114 25150 9272 1 14 . 1 1 107 107 SER CA C 107 62.500 62.500 62.251 0.249 25150 9273 1 14 . 1 1 107 107 SER CB C 107 62.670 62.670 62.863 -0.193 25150 9274 1 14 . 1 1 107 107 SER H H 107 8.209 8.209 8.311 -0.102 25150 9275 1 14 . 1 1 108 108 VAL N N 108 123.756 123.756 122.346 1.410 25150 9276 1 14 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.814 -0.153 25150 9277 1 14 . 1 1 108 108 VAL C C 108 178.087 178.087 177.991 0.096 25150 9278 1 14 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.754 0.215 25150 9279 1 14 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.819 -0.109 25150 9280 1 14 . 1 1 108 108 VAL H H 108 8.256 8.256 7.875 0.381 25150 9281 1 14 . 1 1 109 109 CYS N N 109 118.175 118.175 118.850 -0.675 25150 9282 1 14 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.248 -0.313 25150 9283 1 14 . 1 1 109 109 CYS C C 109 176.918 176.918 177.308 -0.390 25150 9284 1 14 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.720 1.170 25150 9285 1 14 . 1 1 109 109 CYS CB C 109 27.800 27.800 27.219 0.581 25150 9286 1 14 . 1 1 109 109 CYS H H 109 8.781 8.781 8.160 0.621 25150 9287 1 14 . 1 1 110 110 LEU N N 110 118.491 118.491 120.468 -1.977 25150 9288 1 14 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.984 0.126 25150 9289 1 14 . 1 1 110 110 LEU C C 110 180.150 180.150 179.072 1.078 25150 9290 1 14 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.171 0.309 25150 9291 1 14 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.455 -0.445 25150 9292 1 14 . 1 1 110 110 LEU H H 110 8.543 8.543 8.725 -0.182 25150 9293 1 14 . 1 1 111 111 SER N N 111 117.917 117.917 115.836 2.081 25150 9294 1 14 . 1 1 111 111 SER C C 111 177.009 177.009 177.154 -0.145 25150 9295 1 14 . 1 1 111 111 SER CA C 111 63.050 63.050 62.276 0.774 25150 9296 1 14 . 1 1 111 111 SER CB C 111 62.980 62.980 63.028 -0.048 25150 9297 1 14 . 1 1 111 111 SER H H 111 8.181 8.181 8.107 0.074 25150 9298 1 14 . 1 1 112 112 ILE N N 112 124.764 124.764 123.504 1.260 25150 9299 1 14 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.670 0.003 25150 9300 1 14 . 1 1 112 112 ILE C C 112 177.441 177.441 177.790 -0.349 25150 9301 1 14 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.493 -0.063 25150 9302 1 14 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.837 0.113 25150 9303 1 14 . 1 1 112 112 ILE H H 112 8.249 8.249 8.233 0.016 25150 9304 1 14 . 1 1 113 113 ILE N N 113 121.123 121.123 120.208 0.915 25150 9305 1 14 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.603 -0.007 25150 9306 1 14 . 1 1 113 113 ILE C C 113 179.525 179.525 178.166 1.359 25150 9307 1 14 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.972 0.288 25150 9308 1 14 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.694 1.086 25150 9309 1 14 . 1 1 113 113 ILE H H 113 8.415 8.415 8.366 0.049 25150 9310 1 14 . 1 1 114 114 SER N N 114 115.247 115.247 116.540 -1.293 25150 9311 1 14 . 1 1 114 114 SER HA H 114 4.300 4.300 4.295 0.005 25150 9312 1 14 . 1 1 114 114 SER C C 114 176.915 176.915 176.790 0.125 25150 9313 1 14 . 1 1 114 114 SER CA C 114 61.510 61.510 61.522 -0.012 25150 9314 1 14 . 1 1 114 114 SER CB C 114 62.990 62.990 62.990 -0.000 25150 9315 1 14 . 1 1 114 114 SER H H 114 8.241 8.241 8.180 0.061 25150 9316 1 14 . 1 1 115 115 MET N N 115 122.921 122.921 122.956 -0.035 25150 9317 1 14 . 1 1 115 115 MET C C 115 179.552 179.552 179.395 0.157 25150 9318 1 14 . 1 1 115 115 MET CA C 115 59.030 59.030 59.266 -0.235 25150 9319 1 14 . 1 1 115 115 MET CB C 115 33.040 33.040 32.523 0.517 25150 9320 1 14 . 1 1 115 115 MET H H 115 8.216 8.216 8.061 0.155 25150 9321 1 14 . 1 1 116 116 LEU N N 116 120.553 120.553 120.171 0.382 25150 9322 1 14 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.046 0.031 25150 9323 1 14 . 1 1 116 116 LEU C C 116 179.264 179.264 180.102 -0.838 25150 9324 1 14 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.812 0.958 25150 9325 1 14 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.304 -0.674 25150 9326 1 14 . 1 1 116 116 LEU H H 116 7.981 7.981 8.503 -0.522 25150 9327 1 14 . 1 1 117 117 SER N N 117 114.100 114.100 115.167 -1.067 25150 9328 1 14 . 1 1 117 117 SER HA H 117 4.342 4.342 4.368 -0.026 25150 9329 1 14 . 1 1 117 117 SER C C 117 175.042 175.042 176.094 -1.052 25150 9330 1 14 . 1 1 117 117 SER CA C 117 61.700 61.700 61.215 0.485 25150 9331 1 14 . 1 1 117 117 SER CB C 117 63.120 63.120 63.135 -0.015 25150 9332 1 14 . 1 1 117 117 SER H H 117 8.467 8.467 8.480 -0.013 25150 9333 1 14 . 1 1 118 118 SER N N 118 113.628 113.628 115.635 -2.007 25150 9334 1 14 . 1 1 118 118 SER HA H 118 4.485 4.485 4.449 0.036 25150 9335 1 14 . 1 1 118 118 SER C C 118 174.142 174.142 175.677 -1.535 25150 9336 1 14 . 1 1 118 118 SER CA C 118 59.000 59.000 59.496 -0.496 25150 9337 1 14 . 1 1 118 118 SER CB C 118 64.040 64.040 63.708 0.332 25150 9338 1 14 . 1 1 118 118 SER H H 118 8.037 8.037 8.054 -0.017 25150 9339 1 14 . 1 1 119 119 CYS N N 119 122.293 122.293 124.069 -1.776 25150 9340 1 14 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.060 0.129 25150 9341 1 14 . 1 1 119 119 CYS CB C 119 28.270 28.270 24.984 3.286 25150 9342 1 14 . 1 1 119 119 CYS H H 119 7.250 7.250 7.700 -0.450 25150 9343 1 14 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.402 0.138 25150 9344 1 14 . 1 1 120 120 LYS C C 120 176.345 176.345 176.798 -0.453 25150 9345 1 14 . 1 1 120 120 LYS CA C 120 65.050 65.050 56.530 8.520 25150 9346 1 14 . 1 1 120 120 LYS CB C 120 33.550 33.550 33.322 0.228 25150 9347 1 14 . 1 1 121 121 GLU N N 121 120.936 120.936 121.707 -0.771 25150 9348 1 14 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.319 -0.090 25150 9349 1 14 . 1 1 121 121 GLU C C 121 174.053 174.053 176.147 -2.094 25150 9350 1 14 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.861 0.329 25150 9351 1 14 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.419 2.271 25150 9352 1 14 . 1 1 121 121 GLU H H 121 7.700 7.700 8.077 -0.377 25150 9353 1 14 . 1 1 122 122 LYS N N 122 127.472 127.472 128.204 -0.732 25150 9354 1 14 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.154 -0.292 25150 9355 1 14 . 1 1 122 122 LYS C C 122 174.440 174.440 176.492 -2.052 25150 9356 1 14 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.511 1.769 25150 9357 1 14 . 1 1 122 122 LYS CB C 122 32.410 32.410 31.367 1.043 25150 9358 1 14 . 1 1 122 122 LYS H H 122 8.890 8.890 8.802 0.088 25150 9359 1 14 . 1 1 123 123 ARG N N 123 123.268 123.268 122.777 0.491 25150 9360 1 14 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.176 0.094 25150 9361 1 14 . 1 1 123 123 ARG C C 123 172.653 172.653 176.022 -3.369 25150 9362 1 14 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.956 -1.375 25150 9363 1 14 . 1 1 123 123 ARG CB C 123 32.230 32.230 28.388 3.842 25150 9364 1 14 . 1 1 123 123 ARG H H 123 6.841 6.841 8.046 -1.205 25150 9365 1 14 . 1 1 124 124 ARG N N 124 116.787 116.787 122.334 -5.547 25150 9366 1 14 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.391 0.319 25150 9367 1 14 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.847 -0.767 25150 9368 1 14 . 1 1 124 124 ARG H H 124 8.044 8.044 7.765 0.279 25150 9369 1 14 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.401 1.399 25150 9370 1 14 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.400 -0.620 25150 9371 1 14 . 1 1 127 127 ASP N N 127 115.165 115.165 120.293 -5.128 25150 9372 1 14 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.573 0.551 25150 9373 1 14 . 1 1 127 127 ASP C C 127 172.871 172.871 176.168 -3.297 25150 9374 1 14 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.578 -0.908 25150 9375 1 14 . 1 1 127 127 ASP CB C 127 39.140 39.140 41.266 -2.126 25150 9376 1 14 . 1 1 127 127 ASP H H 127 8.711 8.711 7.987 0.724 25150 9377 1 14 . 1 1 128 128 ASN N N 128 127.858 127.858 119.202 8.656 25150 9378 1 14 . 1 1 128 128 ASN CA C 128 56.480 56.480 53.894 2.586 25150 9379 1 14 . 1 1 128 128 ASN CB C 128 38.560 38.560 39.655 -1.095 25150 9380 1 14 . 1 1 128 128 ASN H H 128 8.502 8.502 8.450 0.052 25150 9381 1 14 . 1 1 129 129 SER C C 129 176.346 176.346 176.178 0.168 25150 9382 1 14 . 1 1 129 129 SER CA C 129 62.330 62.330 61.072 1.258 25150 9383 1 14 . 1 1 130 130 PHE N N 130 121.897 121.897 123.853 -1.956 25150 9384 1 14 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.182 -0.062 25150 9385 1 14 . 1 1 130 130 PHE C C 130 177.740 177.740 176.877 0.863 25150 9386 1 14 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.901 -0.942 25150 9387 1 14 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.995 0.765 25150 9388 1 14 . 1 1 130 130 PHE H H 130 8.022 8.022 9.017 -0.995 25150 9389 1 14 . 1 1 131 131 TYR N N 131 122.173 122.173 120.493 1.680 25150 9390 1 14 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.135 -0.389 25150 9391 1 14 . 1 1 131 131 TYR C C 131 178.140 178.140 177.742 0.398 25150 9392 1 14 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.280 1.010 25150 9393 1 14 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.309 1.231 25150 9394 1 14 . 1 1 131 131 TYR H H 131 8.871 8.871 7.785 1.086 25150 9395 1 14 . 1 1 132 132 VAL N N 132 116.993 116.993 118.440 -1.447 25150 9396 1 14 . 1 1 132 132 VAL C C 132 178.082 178.082 177.978 0.104 25150 9397 1 14 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.876 -0.546 25150 9398 1 14 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.409 0.041 25150 9399 1 14 . 1 1 132 132 VAL H H 132 8.551 8.551 8.408 0.143 25150 9400 1 14 . 1 1 133 133 ARG N N 133 118.860 118.860 118.697 0.163 25150 9401 1 14 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.520 -0.540 25150 9402 1 14 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.244 0.006 25150 9403 1 14 . 1 1 133 133 ARG H H 133 7.545 7.545 8.252 -0.707 25150 9404 1 14 . 1 1 134 134 THR CA C 134 62.280 62.280 64.291 -2.011 25150 9405 1 14 . 1 1 134 134 THR CB C 134 69.790 69.790 68.556 1.234 25150 9406 1 14 . 1 1 135 135 CYS N N 135 125.959 125.959 121.903 4.056 25150 9407 1 14 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.569 -0.809 25150 9408 1 14 . 1 1 135 135 CYS CB C 135 39.010 39.010 26.972 12.038 25150 9409 1 14 . 1 1 135 135 CYS H H 135 7.881 7.881 8.203 -0.322 25150 9410 1 14 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.693 -0.683 25150 9411 1 14 . 1 1 136 136 ASN C C 136 177.768 177.768 176.385 1.383 25150 9412 1 14 . 1 1 136 136 ASN CA C 136 54.160 54.160 55.429 -1.269 25150 9413 1 14 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.126 0.344 25150 9414 1 14 . 1 1 137 137 LYS N N 137 119.224 119.224 115.337 3.887 25150 9415 1 14 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.307 -0.111 25150 9416 1 14 . 1 1 137 137 LYS C C 137 176.185 176.185 175.698 0.487 25150 9417 1 14 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.570 0.410 25150 9418 1 14 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.862 0.008 25150 9419 1 14 . 1 1 137 137 LYS H H 137 7.678 7.678 7.424 0.254 25150 9420 1 14 . 1 1 138 138 ASN N N 138 117.174 117.174 117.200 -0.026 25150 9421 1 14 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.704 -0.174 25150 9422 1 14 . 1 1 138 138 ASN CB C 138 38.940 38.940 39.413 -0.473 25150 9423 1 14 . 1 1 138 138 ASN H H 138 7.969 7.969 7.647 0.322 25150 9424 1 14 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.298 0.100 25150 9425 1 14 . 1 1 139 139 PRO C C 139 177.335 177.335 177.820 -0.485 25150 9426 1 14 . 1 1 139 139 PRO CA C 139 63.850 63.850 64.727 -0.877 25150 9427 1 14 . 1 1 139 139 PRO CB C 139 32.110 32.110 31.518 0.592 25150 9428 1 14 . 1 1 140 140 LYS N N 140 118.218 118.218 116.982 1.236 25150 9429 1 14 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.075 28.575 25150 9430 1 14 . 1 1 140 140 LYS C C 140 176.564 176.564 177.889 -1.325 25150 9431 1 14 . 1 1 140 140 LYS CA C 140 56.990 56.990 58.339 -1.349 25150 9432 1 14 . 1 1 140 140 LYS H H 140 8.108 8.108 8.552 -0.444 25150 9433 1 14 . 1 1 141 141 LYS N N 141 119.276 119.276 118.465 0.811 25150 9434 1 14 . 1 1 141 141 LYS C C 141 177.924 177.924 177.178 0.746 25150 9435 1 14 . 1 1 141 141 LYS CA C 141 56.100 56.100 57.407 -1.307 25150 9436 1 14 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.698 -2.918 25150 9437 1 14 . 1 1 141 141 LYS H H 141 8.135 8.135 7.776 0.359 25150 9438 1 14 . 1 1 142 142 THR N N 142 115.380 115.380 112.424 2.956 25150 9439 1 14 . 1 1 142 142 THR CA C 142 61.850 61.850 62.808 -0.958 25150 9440 1 14 . 1 1 142 142 THR CB C 142 69.660 69.660 67.462 2.198 25150 9441 1 14 . 1 1 142 142 THR H H 142 8.030 8.030 7.713 0.317 25150 9442 1 14 . 1 1 143 143 LYS C C 143 178.955 178.955 176.216 2.739 25150 9443 1 14 . 1 1 144 144 TRP N N 144 120.470 120.470 119.495 0.975 25150 9444 1 14 . 1 1 144 144 TRP C C 144 176.557 176.557 174.037 2.520 25150 9445 1 14 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.011 0.859 25150 9446 1 14 . 1 1 144 144 TRP CB C 144 33.000 33.000 30.752 2.248 25150 9447 1 14 . 1 1 144 144 TRP H H 144 8.094 8.094 7.352 0.742 25150 9448 1 14 . 1 1 145 145 TRP N N 145 120.330 120.330 126.778 -6.448 25150 9449 1 14 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.607 1.513 25150 9450 1 14 . 1 1 145 145 TRP CB C 145 32.850 32.850 31.064 1.786 25150 9451 1 14 . 1 1 145 145 TRP H H 145 8.488 8.488 7.758 0.730 25150 9452 1 14 . 1 1 146 146 TYR C C 146 174.706 174.706 175.352 -0.646 25150 9453 1 14 . 1 1 146 146 TYR CA C 146 57.430 57.430 58.635 -1.205 25150 9454 1 14 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.051 -0.311 25150 9455 1 14 . 1 1 147 147 HIS N N 147 121.604 121.604 127.448 -5.844 25150 9456 1 14 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.283 -0.097 25150 9457 1 14 . 1 1 147 147 HIS C C 147 176.874 176.874 174.297 2.577 25150 9458 1 14 . 1 1 147 147 HIS CA C 147 56.240 56.240 56.300 -0.060 25150 9459 1 14 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.750 0.450 25150 9460 1 14 . 1 1 147 147 HIS H H 147 7.886 7.886 7.954 -0.068 25150 9461 1 14 . 1 1 148 148 ASP N N 148 122.629 122.629 126.053 -3.424 25150 9462 1 14 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.516 0.028 25150 9463 1 14 . 1 1 148 148 ASP C C 148 175.661 175.661 176.637 -0.976 25150 9464 1 14 . 1 1 148 148 ASP CA C 148 54.180 54.180 52.592 1.588 25150 9465 1 14 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.371 0.309 25150 9466 1 14 . 1 1 148 148 ASP H H 148 8.109 8.109 8.098 0.011 25150 9467 1 14 . 1 1 149 149 ASP N N 149 121.321 121.321 128.142 -6.821 25150 9468 1 14 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.607 0.047 25150 9469 1 14 . 1 1 149 149 ASP C C 149 176.551 176.551 177.462 -0.911 25150 9470 1 14 . 1 1 149 149 ASP CA C 149 54.610 54.610 56.464 -1.854 25150 9471 1 14 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.835 0.525 25150 9472 1 14 . 1 1 149 149 ASP H H 149 8.395 8.395 8.705 -0.310 25150 9473 1 14 . 1 1 150 150 THR N N 150 113.450 113.450 111.021 2.429 25150 9474 1 14 . 1 1 150 150 THR HA H 150 4.296 4.296 4.389 -0.093 25150 9475 1 14 . 1 1 150 150 THR C C 150 173.994 173.994 174.770 -0.776 25150 9476 1 14 . 1 1 150 150 THR CA C 150 62.310 62.310 62.207 0.103 25150 9477 1 14 . 1 1 150 150 THR CB C 150 69.870 69.870 69.370 0.500 25150 9478 1 14 . 1 1 150 150 THR H H 150 8.259 8.259 8.532 -0.273 25150 9479 1 15 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.006 0.288 25150 9480 1 15 . 1 1 6 6 LYS C C 6 176.970 176.970 179.178 -2.208 25150 9481 1 15 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.855 -1.485 25150 9482 1 15 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.311 0.169 25150 9483 1 15 . 1 1 7 7 ARG N N 7 119.704 119.704 119.571 0.133 25150 9484 1 15 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.166 0.032 25150 9485 1 15 . 1 1 7 7 ARG C C 7 178.270 178.270 178.726 -0.456 25150 9486 1 15 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.326 -0.296 25150 9487 1 15 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.415 -1.855 25150 9488 1 15 . 1 1 7 7 ARG H H 7 8.599 8.599 8.132 0.467 25150 9489 1 15 . 1 1 8 8 LEU N N 8 119.704 119.704 122.167 -2.463 25150 9490 1 15 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.657 0.433 25150 9491 1 15 . 1 1 8 8 LEU C C 8 178.980 178.980 178.492 0.488 25150 9492 1 15 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.973 0.317 25150 9493 1 15 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.299 0.761 25150 9494 1 15 . 1 1 8 8 LEU H H 8 8.599 8.599 8.513 0.086 25150 9495 1 15 . 1 1 9 9 GLN N N 9 117.512 117.512 116.841 0.671 25150 9496 1 15 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.971 0.066 25150 9497 1 15 . 1 1 9 9 GLN C C 9 178.610 178.610 178.842 -0.232 25150 9498 1 15 . 1 1 9 9 GLN CA C 9 59.310 59.310 58.380 0.930 25150 9499 1 15 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.135 0.345 25150 9500 1 15 . 1 1 9 9 GLN H H 9 8.066 8.066 8.025 0.041 25150 9501 1 15 . 1 1 10 10 LYS N N 10 119.556 119.556 120.600 -1.044 25150 9502 1 15 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.957 0.123 25150 9503 1 15 . 1 1 10 10 LYS C C 10 180.040 180.040 178.766 1.274 25150 9504 1 15 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.971 -0.291 25150 9505 1 15 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.263 0.197 25150 9506 1 15 . 1 1 10 10 LYS H H 10 7.678 7.678 8.112 -0.434 25150 9507 1 15 . 1 1 11 11 GLU N N 11 120.347 120.347 120.730 -0.383 25150 9508 1 15 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.013 0.163 25150 9509 1 15 . 1 1 11 11 GLU C C 11 178.770 178.770 178.834 -0.064 25150 9510 1 15 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.513 1.527 25150 9511 1 15 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.572 1.088 25150 9512 1 15 . 1 1 11 11 GLU H H 11 8.533 8.533 8.118 0.415 25150 9513 1 15 . 1 1 12 12 LEU N N 12 123.285 123.285 119.463 3.822 25150 9514 1 15 . 1 1 12 12 LEU C C 12 178.570 178.570 178.953 -0.383 25150 9515 1 15 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.580 0.540 25150 9516 1 15 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.743 -0.663 25150 9517 1 15 . 1 1 12 12 LEU H H 12 8.685 8.685 8.005 0.680 25150 9518 1 15 . 1 1 13 13 LEU N N 13 118.881 118.881 119.827 -0.946 25150 9519 1 15 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.014 -0.017 25150 9520 1 15 . 1 1 13 13 LEU C C 13 179.260 179.260 179.255 0.005 25150 9521 1 15 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.635 0.265 25150 9522 1 15 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.463 0.427 25150 9523 1 15 . 1 1 13 13 LEU H H 13 7.588 7.588 8.434 -0.846 25150 9524 1 15 . 1 1 14 14 ALA N N 14 120.667 120.667 122.414 -1.747 25150 9525 1 15 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.989 0.201 25150 9526 1 15 . 1 1 14 14 ALA C C 14 176.270 176.270 179.548 -3.278 25150 9527 1 15 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.072 0.118 25150 9528 1 15 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.183 -0.153 25150 9529 1 15 . 1 1 14 14 ALA H H 14 7.617 7.617 7.870 -0.253 25150 9530 1 15 . 1 1 15 15 LEU N N 15 119.965 119.965 120.156 -0.191 25150 9531 1 15 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.535 -0.085 25150 9532 1 15 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.661 0.599 25150 9533 1 15 . 1 1 15 15 LEU H H 15 7.726 7.726 7.975 -0.249 25150 9534 1 15 . 1 1 16 16 GLN N N 16 115.381 115.381 116.429 -1.048 25150 9535 1 15 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.922 0.056 25150 9536 1 15 . 1 1 16 16 GLN C C 16 177.950 177.950 178.552 -0.602 25150 9537 1 15 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.291 0.169 25150 9538 1 15 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.608 1.182 25150 9539 1 15 . 1 1 16 16 GLN H H 16 8.028 8.028 8.214 -0.186 25150 9540 1 15 . 1 1 17 17 ASN N N 17 114.975 114.975 116.848 -1.873 25150 9541 1 15 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.539 0.091 25150 9542 1 15 . 1 1 17 17 ASN C C 17 175.303 175.303 175.499 -0.196 25150 9543 1 15 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.219 -0.339 25150 9544 1 15 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.086 0.764 25150 9545 1 15 . 1 1 17 17 ASN H H 17 8.136 8.136 8.027 0.109 25150 9546 1 15 . 1 1 18 18 ASP N N 18 119.698 119.698 118.375 1.323 25150 9547 1 15 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.180 1.280 25150 9548 1 15 . 1 1 18 18 ASP CB C 18 41.510 41.510 41.984 -0.474 25150 9549 1 15 . 1 1 18 18 ASP H H 18 8.218 8.218 7.839 0.379 25150 9550 1 15 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.275 0.040 25150 9551 1 15 . 1 1 21 21 PRO C C 21 177.867 177.867 177.660 0.207 25150 9552 1 15 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.085 -0.265 25150 9553 1 15 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.688 -0.118 25150 9554 1 15 . 1 1 22 22 GLY N N 22 111.293 111.293 112.366 -1.073 25150 9555 1 15 . 1 1 22 22 GLY C C 22 174.342 174.342 173.616 0.726 25150 9556 1 15 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.237 0.753 25150 9557 1 15 . 1 1 22 22 GLY H H 22 8.506 8.506 8.589 -0.083 25150 9558 1 15 . 1 1 23 23 MET N N 23 118.966 118.966 120.055 -1.089 25150 9559 1 15 . 1 1 23 23 MET HA H 23 5.699 5.699 5.528 0.171 25150 9560 1 15 . 1 1 23 23 MET C C 23 175.386 175.386 174.278 1.108 25150 9561 1 15 . 1 1 23 23 MET CA C 23 55.270 55.270 54.391 0.879 25150 9562 1 15 . 1 1 23 23 MET CB C 23 35.890 35.890 35.782 0.108 25150 9563 1 15 . 1 1 23 23 MET H H 23 8.017 8.017 7.864 0.153 25150 9564 1 15 . 1 1 24 24 THR N N 24 112.647 112.647 122.720 -10.073 25150 9565 1 15 . 1 1 24 24 THR HA H 24 4.596 4.596 4.656 -0.060 25150 9566 1 15 . 1 1 24 24 THR C C 24 173.407 173.407 172.314 1.093 25150 9567 1 15 . 1 1 24 24 THR CA C 24 60.850 60.850 61.947 -1.097 25150 9568 1 15 . 1 1 24 24 THR CB C 24 72.360 72.360 71.464 0.896 25150 9569 1 15 . 1 1 24 24 THR H H 24 8.565 8.565 8.979 -0.414 25150 9570 1 15 . 1 1 25 25 LEU N N 25 126.920 126.920 127.317 -0.397 25150 9571 1 15 . 1 1 25 25 LEU HA H 25 4.296 4.296 5.221 -0.925 25150 9572 1 15 . 1 1 25 25 LEU C C 25 175.624 175.624 174.731 0.893 25150 9573 1 15 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.338 2.832 25150 9574 1 15 . 1 1 25 25 LEU CB C 25 42.710 42.710 45.139 -2.429 25150 9575 1 15 . 1 1 25 25 LEU H H 25 9.189 9.189 8.376 0.813 25150 9576 1 15 . 1 1 26 26 ASN N N 26 127.108 127.108 124.229 2.879 25150 9577 1 15 . 1 1 26 26 ASN C C 26 173.783 173.783 173.887 -0.104 25150 9578 1 15 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.988 2.112 25150 9579 1 15 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.840 -0.470 25150 9580 1 15 . 1 1 26 26 ASN H H 26 9.000 9.000 8.884 0.116 25150 9581 1 15 . 1 1 27 27 GLU N N 27 108.990 108.990 123.055 -14.065 25150 9582 1 15 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.119 0.491 25150 9583 1 15 . 1 1 27 27 GLU H H 27 7.631 7.631 8.774 -1.143 25150 9584 1 15 . 1 1 30 30 VAL C C 30 177.011 177.011 177.022 -0.011 25150 9585 1 15 . 1 1 30 30 VAL CA C 30 55.230 55.230 59.635 -4.405 25150 9586 1 15 . 1 1 30 30 VAL CB C 30 30.860 30.860 34.666 -3.806 25150 9587 1 15 . 1 1 31 31 GLN N N 31 125.960 125.960 119.496 6.464 25150 9588 1 15 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.161 0.269 25150 9589 1 15 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.304 0.826 25150 9590 1 15 . 1 1 31 31 GLN H H 31 7.880 7.880 8.725 -0.845 25150 9591 1 15 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.233 0.427 25150 9592 1 15 . 1 1 34 34 ILE C C 34 178.642 178.642 175.159 3.483 25150 9593 1 15 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.320 -5.350 25150 9594 1 15 . 1 1 34 34 ILE CB C 34 42.000 42.000 39.462 2.538 25150 9595 1 15 . 1 1 35 35 THR N N 35 110.980 110.980 123.942 -12.962 25150 9596 1 15 . 1 1 35 35 THR CA C 35 61.070 61.070 62.671 -1.601 25150 9597 1 15 . 1 1 35 35 THR CB C 35 69.090 69.090 69.449 -0.359 25150 9598 1 15 . 1 1 35 35 THR H H 35 7.825 7.825 8.591 -0.766 25150 9599 1 15 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.193 0.431 25150 9600 1 15 . 1 1 36 36 GLN C C 36 174.178 174.178 174.550 -0.372 25150 9601 1 15 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.074 1.016 25150 9602 1 15 . 1 1 36 36 GLN CB C 36 32.290 32.290 33.933 -1.643 25150 9603 1 15 . 1 1 37 37 TRP N N 37 123.942 123.942 120.315 3.627 25150 9604 1 15 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.472 0.104 25150 9605 1 15 . 1 1 37 37 TRP C C 37 174.959 174.959 176.360 -1.401 25150 9606 1 15 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.505 -0.875 25150 9607 1 15 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.708 0.242 25150 9608 1 15 . 1 1 37 37 TRP H H 37 9.242 9.242 8.951 0.291 25150 9609 1 15 . 1 1 38 38 ILE N N 38 121.559 121.559 123.273 -1.714 25150 9610 1 15 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.980 0.299 25150 9611 1 15 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.691 -1.261 25150 9612 1 15 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.415 -0.175 25150 9613 1 15 . 1 1 38 38 ILE H H 38 8.778 8.778 9.317 -0.539 25150 9614 1 15 . 1 1 39 39 VAL N N 39 128.719 128.719 129.147 -0.428 25150 9615 1 15 . 1 1 39 39 VAL HA H 39 4.581 4.581 5.071 -0.490 25150 9616 1 15 . 1 1 39 39 VAL C C 39 175.175 175.175 175.042 0.133 25150 9617 1 15 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.546 0.704 25150 9618 1 15 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.585 1.265 25150 9619 1 15 . 1 1 39 39 VAL H H 39 9.533 9.533 8.957 0.576 25150 9620 1 15 . 1 1 40 40 ASP N N 40 128.451 128.451 128.644 -0.193 25150 9621 1 15 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.732 -0.514 25150 9622 1 15 . 1 1 40 40 ASP C C 40 175.157 175.157 175.463 -0.306 25150 9623 1 15 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.008 2.302 25150 9624 1 15 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.224 -0.724 25150 9625 1 15 . 1 1 40 40 ASP H H 40 9.165 9.165 9.032 0.133 25150 9626 1 15 . 1 1 41 41 MET N N 41 120.544 120.544 120.800 -0.256 25150 9627 1 15 . 1 1 41 41 MET HA H 41 5.467 5.467 5.557 -0.090 25150 9628 1 15 . 1 1 41 41 MET C C 41 173.590 173.590 174.794 -1.204 25150 9629 1 15 . 1 1 41 41 MET CA C 41 54.610 54.610 54.338 0.272 25150 9630 1 15 . 1 1 41 41 MET CB C 41 37.490 37.490 38.568 -1.078 25150 9631 1 15 . 1 1 41 41 MET H H 41 8.756 8.756 9.096 -0.340 25150 9632 1 15 . 1 1 42 42 GLU N N 42 125.740 125.740 122.163 3.577 25150 9633 1 15 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.322 -0.312 25150 9634 1 15 . 1 1 42 42 GLU C C 42 177.323 177.323 177.371 -0.048 25150 9635 1 15 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.091 0.389 25150 9636 1 15 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.381 -1.121 25150 9637 1 15 . 1 1 42 42 GLU H H 42 8.706 8.706 8.540 0.166 25150 9638 1 15 . 1 1 43 43 GLY N N 43 111.314 111.314 113.035 -1.721 25150 9639 1 15 . 1 1 43 43 GLY C C 43 174.121 174.121 173.640 0.481 25150 9640 1 15 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.025 0.365 25150 9641 1 15 . 1 1 43 43 GLY H H 43 8.917 8.917 8.741 0.176 25150 9642 1 15 . 1 1 44 44 ALA N N 44 128.665 128.665 125.683 2.982 25150 9643 1 15 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.213 0.847 25150 9644 1 15 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.667 -0.197 25150 9645 1 15 . 1 1 44 44 ALA H H 44 8.918 8.918 8.703 0.215 25150 9646 1 15 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.266 0.034 25150 9647 1 15 . 1 1 45 45 PRO C C 45 177.598 177.598 177.575 0.023 25150 9648 1 15 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.626 -0.216 25150 9649 1 15 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.611 0.179 25150 9650 1 15 . 1 1 46 46 GLY N N 46 111.319 111.319 113.063 -1.744 25150 9651 1 15 . 1 1 46 46 GLY C C 46 174.290 174.290 174.685 -0.395 25150 9652 1 15 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.256 0.654 25150 9653 1 15 . 1 1 46 46 GLY H H 46 9.449 9.449 9.352 0.097 25150 9654 1 15 . 1 1 47 47 THR N N 47 107.981 107.981 112.360 -4.379 25150 9655 1 15 . 1 1 47 47 THR HA H 47 4.801 4.801 4.619 0.182 25150 9656 1 15 . 1 1 47 47 THR C C 47 176.158 176.158 176.113 0.045 25150 9657 1 15 . 1 1 47 47 THR CA C 47 60.380 60.380 60.028 0.352 25150 9658 1 15 . 1 1 47 47 THR CB C 47 73.420 73.420 71.401 2.018 25150 9659 1 15 . 1 1 47 47 THR H H 47 7.426 7.426 7.464 -0.038 25150 9660 1 15 . 1 1 48 48 LEU N N 48 119.132 119.132 120.668 -1.536 25150 9661 1 15 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.134 -0.077 25150 9662 1 15 . 1 1 48 48 LEU C C 48 175.907 175.907 177.043 -1.136 25150 9663 1 15 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.788 -0.298 25150 9664 1 15 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.244 0.376 25150 9665 1 15 . 1 1 48 48 LEU H H 48 8.966 8.966 8.859 0.107 25150 9666 1 15 . 1 1 49 49 TYR N N 49 113.649 113.649 115.158 -1.509 25150 9667 1 15 . 1 1 49 49 TYR HA H 49 4.825 4.825 5.052 -0.227 25150 9668 1 15 . 1 1 49 49 TYR C C 49 174.634 174.634 175.802 -1.168 25150 9669 1 15 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.679 -0.569 25150 9670 1 15 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.178 -0.788 25150 9671 1 15 . 1 1 49 49 TYR H H 49 7.205 7.205 7.798 -0.593 25150 9672 1 15 . 1 1 50 50 GLU N N 50 122.006 122.006 121.828 0.178 25150 9673 1 15 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.206 -0.729 25150 9674 1 15 . 1 1 50 50 GLU C C 50 177.182 177.182 177.513 -0.331 25150 9675 1 15 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.221 -0.121 25150 9676 1 15 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.709 1.331 25150 9677 1 15 . 1 1 50 50 GLU H H 50 6.934 6.934 7.457 -0.523 25150 9678 1 15 . 1 1 51 51 GLY N N 51 115.165 115.165 116.058 -0.893 25150 9679 1 15 . 1 1 51 51 GLY C C 51 173.997 173.997 174.185 -0.188 25150 9680 1 15 . 1 1 51 51 GLY CA C 51 45.500 45.500 45.109 0.391 25150 9681 1 15 . 1 1 51 51 GLY H H 51 8.752 8.752 8.617 0.135 25150 9682 1 15 . 1 1 52 52 GLU N N 52 120.251 120.251 121.774 -1.523 25150 9683 1 15 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.222 -0.252 25150 9684 1 15 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.988 0.452 25150 9685 1 15 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.881 1.819 25150 9686 1 15 . 1 1 52 52 GLU H H 52 7.900 7.900 8.057 -0.157 25150 9687 1 15 . 1 1 53 53 LYS N N 53 120.435 120.435 125.745 -5.310 25150 9688 1 15 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.960 -0.274 25150 9689 1 15 . 1 1 53 53 LYS C C 53 175.285 175.285 175.760 -0.475 25150 9690 1 15 . 1 1 53 53 LYS CA C 53 55.380 55.380 56.030 -0.650 25150 9691 1 15 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.264 0.796 25150 9692 1 15 . 1 1 53 53 LYS H H 53 8.046 8.046 8.319 -0.273 25150 9693 1 15 . 1 1 54 54 PHE N N 54 122.724 122.724 124.810 -2.086 25150 9694 1 15 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.900 0.620 25150 9695 1 15 . 1 1 54 54 PHE C C 54 175.151 175.151 174.460 0.691 25150 9696 1 15 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.969 -2.279 25150 9697 1 15 . 1 1 54 54 PHE CB C 54 43.600 43.600 43.085 0.515 25150 9698 1 15 . 1 1 54 54 PHE H H 54 9.082 9.082 8.882 0.200 25150 9699 1 15 . 1 1 55 55 GLN N N 55 121.971 121.971 121.816 0.155 25150 9700 1 15 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.656 -0.305 25150 9701 1 15 . 1 1 55 55 GLN C C 55 173.802 173.802 174.211 -0.409 25150 9702 1 15 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.719 1.481 25150 9703 1 15 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.789 1.531 25150 9704 1 15 . 1 1 55 55 GLN H H 55 10.001 10.001 9.012 0.989 25150 9705 1 15 . 1 1 56 56 LEU N N 56 124.898 124.898 125.501 -0.603 25150 9706 1 15 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.241 -0.549 25150 9707 1 15 . 1 1 56 56 LEU C C 56 174.265 174.265 175.169 -0.904 25150 9708 1 15 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.159 0.261 25150 9709 1 15 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.327 1.363 25150 9710 1 15 . 1 1 56 56 LEU H H 56 9.573 9.573 9.072 0.501 25150 9711 1 15 . 1 1 57 57 LEU N N 57 124.234 124.234 122.723 1.511 25150 9712 1 15 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.363 -0.193 25150 9713 1 15 . 1 1 57 57 LEU C C 57 174.551 174.551 174.612 -0.061 25150 9714 1 15 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.300 0.370 25150 9715 1 15 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.380 0.140 25150 9716 1 15 . 1 1 57 57 LEU H H 57 8.890 8.890 8.843 0.047 25150 9717 1 15 . 1 1 58 58 PHE N N 58 124.003 124.003 126.307 -2.304 25150 9718 1 15 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.643 -0.893 25150 9719 1 15 . 1 1 58 58 PHE C C 58 174.407 174.407 175.139 -0.732 25150 9720 1 15 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.822 0.178 25150 9721 1 15 . 1 1 58 58 PHE CB C 58 42.940 42.940 43.303 -0.363 25150 9722 1 15 . 1 1 58 58 PHE H H 58 9.134 9.134 9.287 -0.153 25150 9723 1 15 . 1 1 59 59 LYS N N 59 120.089 120.089 123.963 -3.874 25150 9724 1 15 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.555 0.328 25150 9725 1 15 . 1 1 59 59 LYS C C 59 175.192 175.192 175.438 -0.246 25150 9726 1 15 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.653 0.167 25150 9727 1 15 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.559 0.971 25150 9728 1 15 . 1 1 59 59 LYS H H 59 8.732 8.732 8.913 -0.181 25150 9729 1 15 . 1 1 60 60 PHE N N 60 123.988 123.988 128.471 -4.483 25150 9730 1 15 . 1 1 60 60 PHE HA H 60 4.304 4.304 3.766 0.538 25150 9731 1 15 . 1 1 60 60 PHE C C 60 174.636 174.636 174.351 0.285 25150 9732 1 15 . 1 1 60 60 PHE CA C 60 57.250 57.250 58.168 -0.918 25150 9733 1 15 . 1 1 60 60 PHE CB C 60 41.160 41.160 38.961 2.199 25150 9734 1 15 . 1 1 60 60 PHE H H 60 8.649 8.649 8.142 0.507 25150 9735 1 15 . 1 1 61 61 SER N N 61 117.599 117.599 122.272 -4.673 25150 9736 1 15 . 1 1 61 61 SER C C 61 174.771 174.771 175.390 -0.619 25150 9737 1 15 . 1 1 61 61 SER CA C 61 57.130 57.130 57.671 -0.541 25150 9738 1 15 . 1 1 61 61 SER CB C 61 66.030 66.030 63.735 2.295 25150 9739 1 15 . 1 1 61 61 SER H H 61 8.066 8.066 7.925 0.141 25150 9740 1 15 . 1 1 62 62 SER N N 62 119.994 119.994 124.258 -4.264 25150 9741 1 15 . 1 1 62 62 SER CA C 62 61.650 61.650 60.142 1.508 25150 9742 1 15 . 1 1 62 62 SER H H 62 8.265 8.265 8.690 -0.425 25150 9743 1 15 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.557 -0.107 25150 9744 1 15 . 1 1 63 63 ARG C C 63 175.086 175.086 175.231 -0.145 25150 9745 1 15 . 1 1 63 63 ARG CA C 63 57.670 57.670 54.907 2.763 25150 9746 1 15 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.985 -0.935 25150 9747 1 15 . 1 1 64 64 TYR N N 64 120.957 120.957 124.764 -3.807 25150 9748 1 15 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.494 1.186 25150 9749 1 15 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.479 -0.759 25150 9750 1 15 . 1 1 64 64 TYR H H 64 7.471 7.471 7.489 -0.018 25150 9751 1 15 . 1 1 65 65 PRO HA H 65 3.670 3.670 4.000 -0.330 25150 9752 1 15 . 1 1 65 65 PRO C C 65 174.345 174.345 175.321 -0.976 25150 9753 1 15 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.595 0.865 25150 9754 1 15 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.585 2.785 25150 9755 1 15 . 1 1 66 66 PHE N N 66 126.070 126.070 120.729 5.341 25150 9756 1 15 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.825 -0.582 25150 9757 1 15 . 1 1 66 66 PHE C C 66 175.867 175.867 174.756 1.111 25150 9758 1 15 . 1 1 66 66 PHE CA C 66 61.080 61.080 58.124 2.956 25150 9759 1 15 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.090 -1.081 25150 9760 1 15 . 1 1 66 66 PHE H H 66 8.630 8.630 8.168 0.462 25150 9761 1 15 . 1 1 67 67 ASP N N 67 118.021 118.021 118.240 -0.219 25150 9762 1 15 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.458 -0.499 25150 9763 1 15 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.102 -47.472 25150 9764 1 15 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.930 -8.090 25150 9765 1 15 . 1 1 67 67 ASP H H 67 7.126 7.126 7.614 -0.488 25150 9766 1 15 . 1 1 68 68 SER N N 68 120.730 120.730 116.290 4.440 25150 9767 1 15 . 1 1 68 68 SER CA C 68 55.750 55.750 55.564 0.186 25150 9768 1 15 . 1 1 68 68 SER CB C 68 61.900 61.900 62.835 -0.935 25150 9769 1 15 . 1 1 68 68 SER H H 68 8.091 8.091 7.962 0.129 25150 9770 1 15 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.434 -0.078 25150 9771 1 15 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.406 -0.325 25150 9772 1 15 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.803 -0.093 25150 9773 1 15 . 1 1 70 70 GLN N N 70 119.493 119.493 120.865 -1.372 25150 9774 1 15 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.359 -0.290 25150 9775 1 15 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.275 1.215 25150 9776 1 15 . 1 1 70 70 GLN H H 70 8.049 8.049 8.092 -0.043 25150 9777 1 15 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.891 -0.491 25150 9778 1 15 . 1 1 71 71 VAL CA C 71 59.810 59.810 59.421 0.389 25150 9779 1 15 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.974 -1.134 25150 9780 1 15 . 1 1 72 72 MET N N 72 120.767 120.767 121.230 -0.463 25150 9781 1 15 . 1 1 72 72 MET HA H 72 4.731 4.731 5.079 -0.348 25150 9782 1 15 . 1 1 72 72 MET C C 72 174.779 174.779 173.989 0.790 25150 9783 1 15 . 1 1 72 72 MET CA C 72 54.390 54.390 53.979 0.411 25150 9784 1 15 . 1 1 72 72 MET CB C 72 36.140 36.140 36.594 -0.454 25150 9785 1 15 . 1 1 72 72 MET H H 72 8.245 8.245 8.311 -0.066 25150 9786 1 15 . 1 1 73 73 PHE N N 73 120.458 120.458 119.265 1.193 25150 9787 1 15 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.258 -0.044 25150 9788 1 15 . 1 1 73 73 PHE C C 73 175.404 175.404 176.337 -0.933 25150 9789 1 15 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.677 0.903 25150 9790 1 15 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.289 0.330 25150 9791 1 15 . 1 1 73 73 PHE H H 73 9.193 9.193 8.673 0.520 25150 9792 1 15 . 1 1 74 74 THR N N 74 113.842 113.842 116.283 -2.441 25150 9793 1 15 . 1 1 74 74 THR HA H 74 4.777 4.777 4.670 0.107 25150 9794 1 15 . 1 1 74 74 THR C C 74 173.551 173.551 173.313 0.238 25150 9795 1 15 . 1 1 74 74 THR CA C 74 59.580 59.580 60.448 -0.868 25150 9796 1 15 . 1 1 74 74 THR CB C 74 71.300 71.300 71.143 0.157 25150 9797 1 15 . 1 1 74 74 THR H H 74 8.894 8.894 8.991 -0.097 25150 9798 1 15 . 1 1 75 75 GLY N N 75 109.259 109.259 112.132 -2.873 25150 9799 1 15 . 1 1 75 75 GLY C C 75 173.980 173.980 173.596 0.384 25150 9800 1 15 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.734 -0.024 25150 9801 1 15 . 1 1 75 75 GLY H H 75 8.058 8.058 7.785 0.273 25150 9802 1 15 . 1 1 76 76 GLU N N 76 116.661 116.661 117.776 -1.115 25150 9803 1 15 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.201 -0.060 25150 9804 1 15 . 1 1 76 76 GLU C C 76 176.624 176.624 175.753 0.871 25150 9805 1 15 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.344 0.696 25150 9806 1 15 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.826 1.084 25150 9807 1 15 . 1 1 76 76 GLU H H 76 8.356 8.356 8.493 -0.137 25150 9808 1 15 . 1 1 77 77 ASN N N 77 118.469 118.469 118.493 -0.024 25150 9809 1 15 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.786 0.324 25150 9810 1 15 . 1 1 77 77 ASN C C 77 176.525 176.525 173.883 2.642 25150 9811 1 15 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.692 -0.452 25150 9812 1 15 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.479 0.231 25150 9813 1 15 . 1 1 77 77 ASN H H 77 8.614 8.614 8.078 0.536 25150 9814 1 15 . 1 1 78 78 ILE N N 78 117.605 117.605 125.276 -7.671 25150 9815 1 15 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.932 2.458 25150 9816 1 15 . 1 1 78 78 ILE CB C 78 41.640 41.640 36.590 5.050 25150 9817 1 15 . 1 1 78 78 ILE H H 78 7.736 7.736 8.252 -0.516 25150 9818 1 15 . 1 1 79 79 PRO C C 79 176.134 176.134 176.041 0.093 25150 9819 1 15 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.748 0.083 25150 9820 1 15 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.956 -0.796 25150 9821 1 15 . 1 1 80 80 VAL N N 80 123.378 123.378 123.208 0.170 25150 9822 1 15 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.553 0.277 25150 9823 1 15 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.937 -2.017 25150 9824 1 15 . 1 1 80 80 VAL H H 80 8.297 8.297 8.524 -0.227 25150 9825 1 15 . 1 1 82 82 PRO C C 82 176.169 176.169 176.708 -0.539 25150 9826 1 15 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.941 -0.231 25150 9827 1 15 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.863 -0.193 25150 9828 1 15 . 1 1 83 83 HIS N N 83 121.199 121.199 113.347 7.852 25150 9829 1 15 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.815 0.026 25150 9830 1 15 . 1 1 83 83 HIS C C 83 173.457 173.457 173.699 -0.242 25150 9831 1 15 . 1 1 83 83 HIS CA C 83 54.680 54.680 56.226 -1.546 25150 9832 1 15 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.530 0.700 25150 9833 1 15 . 1 1 83 83 HIS H H 83 10.996 10.996 8.974 2.022 25150 9834 1 15 . 1 1 84 84 VAL N N 84 121.050 121.050 120.798 0.252 25150 9835 1 15 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.974 -0.197 25150 9836 1 15 . 1 1 84 84 VAL C C 84 175.155 175.155 174.487 0.668 25150 9837 1 15 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.854 0.246 25150 9838 1 15 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.893 0.217 25150 9839 1 15 . 1 1 84 84 VAL H H 84 8.058 8.058 7.647 0.411 25150 9840 1 15 . 1 1 85 85 TYR N N 85 126.195 126.195 125.033 1.162 25150 9841 1 15 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.838 -0.153 25150 9842 1 15 . 1 1 85 85 TYR C C 85 179.268 179.268 177.498 1.770 25150 9843 1 15 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.261 2.129 25150 9844 1 15 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.526 0.744 25150 9845 1 15 . 1 1 85 85 TYR H H 85 9.136 9.136 9.164 -0.028 25150 9846 1 15 . 1 1 86 86 SER N N 86 115.546 115.546 117.229 -1.683 25150 9847 1 15 . 1 1 86 86 SER HA H 86 3.935 3.935 4.221 -0.286 25150 9848 1 15 . 1 1 86 86 SER C C 86 174.309 174.309 174.435 -0.126 25150 9849 1 15 . 1 1 86 86 SER CA C 86 61.890 61.890 60.589 1.302 25150 9850 1 15 . 1 1 86 86 SER CB C 86 62.230 62.230 63.251 -1.021 25150 9851 1 15 . 1 1 86 86 SER H H 86 10.052 10.052 8.856 1.196 25150 9852 1 15 . 1 1 87 87 ASN N N 87 116.470 116.470 115.799 0.671 25150 9853 1 15 . 1 1 87 87 ASN C C 87 175.624 175.624 175.822 -0.198 25150 9854 1 15 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.487 -0.147 25150 9855 1 15 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.900 -0.410 25150 9856 1 15 . 1 1 87 87 ASN H H 87 7.331 7.331 8.076 -0.745 25150 9857 1 15 . 1 1 88 88 GLY N N 88 108.412 108.412 107.888 0.524 25150 9858 1 15 . 1 1 88 88 GLY C C 88 174.247 174.247 174.167 0.080 25150 9859 1 15 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.242 0.668 25150 9860 1 15 . 1 1 88 88 GLY H H 88 8.737 8.737 8.455 0.282 25150 9861 1 15 . 1 1 89 89 HIS N N 89 119.508 119.508 122.574 -3.066 25150 9862 1 15 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.645 -1.345 25150 9863 1 15 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.556 1.304 25150 9864 1 15 . 1 1 89 89 HIS H H 89 7.494 7.494 8.767 -1.273 25150 9865 1 15 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.738 -0.324 25150 9866 1 15 . 1 1 90 90 ILE C C 90 174.510 174.510 175.463 -0.953 25150 9867 1 15 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.213 -1.893 25150 9868 1 15 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.773 -0.493 25150 9869 1 15 . 1 1 91 91 CYS N N 91 123.587 123.587 128.880 -5.293 25150 9870 1 15 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.835 5.745 25150 9871 1 15 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.021 7.369 25150 9872 1 15 . 1 1 91 91 CYS H H 91 7.304 7.304 8.799 -1.495 25150 9873 1 15 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.786 -0.116 25150 9874 1 15 . 1 1 92 92 LEU C C 92 175.822 175.822 178.269 -2.447 25150 9875 1 15 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.105 6.355 25150 9876 1 15 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.501 -4.081 25150 9877 1 15 . 1 1 93 93 SER N N 93 111.707 111.707 119.994 -8.287 25150 9878 1 15 . 1 1 93 93 SER HA H 93 4.331 4.331 4.350 -0.019 25150 9879 1 15 . 1 1 93 93 SER C C 93 177.433 177.433 176.519 0.914 25150 9880 1 15 . 1 1 93 93 SER CA C 93 62.150 62.150 60.790 1.360 25150 9881 1 15 . 1 1 93 93 SER H H 93 9.037 9.037 8.805 0.232 25150 9882 1 15 . 1 1 94 94 ILE N N 94 118.993 118.993 116.731 2.262 25150 9883 1 15 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.938 169.600 25150 9884 1 15 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.604 0.706 25150 9885 1 15 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.432 0.468 25150 9886 1 15 . 1 1 94 94 ILE H H 94 7.859 7.859 8.120 -0.261 25150 9887 1 15 . 1 1 95 95 LEU N N 95 113.763 113.763 118.453 -4.690 25150 9888 1 15 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.475 0.177 25150 9889 1 15 . 1 1 95 95 LEU C C 95 178.458 178.458 177.930 0.528 25150 9890 1 15 . 1 1 95 95 LEU CA C 95 55.330 55.330 56.101 -0.771 25150 9891 1 15 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.957 0.123 25150 9892 1 15 . 1 1 95 95 LEU H H 95 7.351 7.351 7.744 -0.393 25150 9893 1 15 . 1 1 96 96 THR N N 96 109.929 109.929 112.207 -2.278 25150 9894 1 15 . 1 1 96 96 THR HA H 96 4.338 4.338 4.561 -0.223 25150 9895 1 15 . 1 1 96 96 THR C C 96 175.947 175.947 176.585 -0.638 25150 9896 1 15 . 1 1 96 96 THR CA C 96 60.960 60.960 63.392 -2.432 25150 9897 1 15 . 1 1 96 96 THR CB C 96 69.280 69.280 69.465 -0.185 25150 9898 1 15 . 1 1 96 96 THR H H 96 7.794 7.794 8.089 -0.295 25150 9899 1 15 . 1 1 97 97 GLU N N 97 123.314 123.314 120.375 2.939 25150 9900 1 15 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.336 -0.019 25150 9901 1 15 . 1 1 97 97 GLU C C 97 176.907 176.907 177.223 -0.316 25150 9902 1 15 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.523 0.157 25150 9903 1 15 . 1 1 97 97 GLU CB C 97 30.790 30.790 30.207 0.583 25150 9904 1 15 . 1 1 97 97 GLU H H 97 8.913 8.913 8.170 0.743 25150 9905 1 15 . 1 1 98 98 ASP N N 98 116.420 116.420 117.652 -1.232 25150 9906 1 15 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.847 0.343 25150 9907 1 15 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.045 0.455 25150 9908 1 15 . 1 1 98 98 ASP H H 98 8.124 8.124 8.130 -0.006 25150 9909 1 15 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.511 -0.091 25150 9910 1 15 . 1 1 99 99 TRP C C 99 176.495 176.495 175.184 1.311 25150 9911 1 15 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.784 0.646 25150 9912 1 15 . 1 1 99 99 TRP CB C 99 29.580 29.580 29.889 -0.309 25150 9913 1 15 . 1 1 100 100 SER N N 100 120.993 120.993 121.501 -0.508 25150 9914 1 15 . 1 1 100 100 SER CA C 100 55.370 55.370 54.252 1.118 25150 9915 1 15 . 1 1 100 100 SER CB C 100 64.860 64.860 64.640 0.220 25150 9916 1 15 . 1 1 100 100 SER H H 100 5.703 5.703 7.025 -1.322 25150 9917 1 15 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.182 0.011 25150 9918 1 15 . 1 1 101 101 PRO C C 101 175.227 175.227 176.500 -1.273 25150 9919 1 15 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.585 -0.885 25150 9920 1 15 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.554 -0.134 25150 9921 1 15 . 1 1 102 102 ALA N N 102 118.668 118.668 118.420 0.248 25150 9922 1 15 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.084 0.010 25150 9923 1 15 . 1 1 102 102 ALA C C 102 178.797 178.797 177.843 0.954 25150 9924 1 15 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.680 0.150 25150 9925 1 15 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.345 -0.335 25150 9926 1 15 . 1 1 102 102 ALA H H 102 7.290 7.290 7.331 -0.041 25150 9927 1 15 . 1 1 103 103 LEU N N 103 119.365 119.365 118.416 0.949 25150 9928 1 15 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.604 -0.394 25150 9929 1 15 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.411 -0.701 25150 9930 1 15 . 1 1 103 103 LEU H H 103 7.263 7.263 7.079 0.184 25150 9931 1 15 . 1 1 104 104 SER HA H 104 4.381 4.381 5.201 -0.820 25150 9932 1 15 . 1 1 104 104 SER C C 104 175.278 175.278 175.185 0.093 25150 9933 1 15 . 1 1 104 104 SER CA C 104 56.500 56.500 56.406 0.094 25150 9934 1 15 . 1 1 104 104 SER CB C 104 66.770 66.770 66.597 0.173 25150 9935 1 15 . 1 1 105 105 VAL N N 105 123.025 123.025 126.178 -3.153 25150 9936 1 15 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.680 -0.068 25150 9937 1 15 . 1 1 105 105 VAL C C 105 179.053 179.053 176.428 2.625 25150 9938 1 15 . 1 1 105 105 VAL CA C 105 68.070 68.070 65.900 2.170 25150 9939 1 15 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.596 0.024 25150 9940 1 15 . 1 1 105 105 VAL H H 105 9.841 9.841 9.501 0.340 25150 9941 1 15 . 1 1 106 106 GLN N N 106 121.218 121.218 117.591 3.627 25150 9942 1 15 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.034 -0.179 25150 9943 1 15 . 1 1 106 106 GLN C C 106 177.698 177.698 177.829 -0.131 25150 9944 1 15 . 1 1 106 106 GLN CA C 106 61.130 61.130 58.398 2.732 25150 9945 1 15 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.357 -0.127 25150 9946 1 15 . 1 1 106 106 GLN H H 106 9.109 9.109 7.914 1.195 25150 9947 1 15 . 1 1 107 107 SER N N 107 115.531 115.531 116.450 -0.919 25150 9948 1 15 . 1 1 107 107 SER C C 107 177.828 177.828 176.248 1.580 25150 9949 1 15 . 1 1 107 107 SER CA C 107 62.500 62.500 61.101 1.399 25150 9950 1 15 . 1 1 107 107 SER CB C 107 62.670 62.670 63.762 -1.092 25150 9951 1 15 . 1 1 107 107 SER H H 107 8.209 8.209 8.335 -0.126 25150 9952 1 15 . 1 1 108 108 VAL N N 108 123.756 123.756 123.991 -0.235 25150 9953 1 15 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.821 -0.160 25150 9954 1 15 . 1 1 108 108 VAL C C 108 178.087 178.087 178.158 -0.071 25150 9955 1 15 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.919 0.050 25150 9956 1 15 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.901 -0.192 25150 9957 1 15 . 1 1 108 108 VAL H H 108 8.256 8.256 8.171 0.085 25150 9958 1 15 . 1 1 109 109 CYS N N 109 118.175 118.175 117.549 0.626 25150 9959 1 15 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.259 -0.324 25150 9960 1 15 . 1 1 109 109 CYS C C 109 176.918 176.918 176.823 0.095 25150 9961 1 15 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.376 1.514 25150 9962 1 15 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.911 0.889 25150 9963 1 15 . 1 1 109 109 CYS H H 109 8.781 8.781 8.649 0.132 25150 9964 1 15 . 1 1 110 110 LEU N N 110 118.491 118.491 121.850 -3.359 25150 9965 1 15 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.104 0.006 25150 9966 1 15 . 1 1 110 110 LEU C C 110 180.150 180.150 178.124 2.026 25150 9967 1 15 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.883 0.597 25150 9968 1 15 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.587 -0.577 25150 9969 1 15 . 1 1 110 110 LEU H H 110 8.543 8.543 7.883 0.660 25150 9970 1 15 . 1 1 111 111 SER N N 111 117.917 117.917 115.998 1.919 25150 9971 1 15 . 1 1 111 111 SER C C 111 177.009 177.009 176.954 0.055 25150 9972 1 15 . 1 1 111 111 SER CA C 111 63.050 63.050 62.519 0.531 25150 9973 1 15 . 1 1 111 111 SER CB C 111 62.980 62.980 62.837 0.142 25150 9974 1 15 . 1 1 111 111 SER H H 111 8.181 8.181 8.006 0.175 25150 9975 1 15 . 1 1 112 112 ILE N N 112 124.764 124.764 122.920 1.844 25150 9976 1 15 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.613 0.060 25150 9977 1 15 . 1 1 112 112 ILE C C 112 177.441 177.441 177.778 -0.337 25150 9978 1 15 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.584 -0.154 25150 9979 1 15 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.757 0.193 25150 9980 1 15 . 1 1 112 112 ILE H H 112 8.249 8.249 8.060 0.189 25150 9981 1 15 . 1 1 113 113 ILE N N 113 121.123 121.123 120.033 1.090 25150 9982 1 15 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.414 0.182 25150 9983 1 15 . 1 1 113 113 ILE C C 113 179.525 179.525 178.123 1.402 25150 9984 1 15 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.830 0.430 25150 9985 1 15 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.653 1.127 25150 9986 1 15 . 1 1 113 113 ILE H H 113 8.415 8.415 8.326 0.089 25150 9987 1 15 . 1 1 114 114 SER N N 114 115.247 115.247 116.424 -1.177 25150 9988 1 15 . 1 1 114 114 SER HA H 114 4.300 4.300 4.221 0.079 25150 9989 1 15 . 1 1 114 114 SER C C 114 176.915 176.915 176.721 0.194 25150 9990 1 15 . 1 1 114 114 SER CA C 114 61.510 61.510 61.198 0.312 25150 9991 1 15 . 1 1 114 114 SER CB C 114 62.990 62.990 63.132 -0.142 25150 9992 1 15 . 1 1 114 114 SER H H 114 8.241 8.241 8.333 -0.092 25150 9993 1 15 . 1 1 115 115 MET N N 115 122.921 122.921 123.942 -1.021 25150 9994 1 15 . 1 1 115 115 MET C C 115 179.552 179.552 178.404 1.148 25150 9995 1 15 . 1 1 115 115 MET CA C 115 59.030 59.030 58.976 0.054 25150 9996 1 15 . 1 1 115 115 MET CB C 115 33.040 33.040 32.437 0.603 25150 9997 1 15 . 1 1 115 115 MET H H 115 8.216 8.216 8.107 0.109 25150 9998 1 15 . 1 1 116 116 LEU N N 116 120.553 120.553 117.824 2.729 25150 9999 1 15 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.618 0.459 25150 10000 1 15 . 1 1 116 116 LEU C C 116 179.264 179.264 179.178 0.086 25150 10001 1 15 . 1 1 116 116 LEU CA C 116 58.770 58.770 56.871 1.899 25150 10002 1 15 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.548 -0.918 25150 10003 1 15 . 1 1 116 116 LEU H H 116 7.981 7.981 7.972 0.009 25150 10004 1 15 . 1 1 117 117 SER N N 117 114.100 114.100 111.167 2.933 25150 10005 1 15 . 1 1 117 117 SER HA H 117 4.342 4.342 4.326 0.016 25150 10006 1 15 . 1 1 117 117 SER C C 117 175.042 175.042 174.785 0.257 25150 10007 1 15 . 1 1 117 117 SER CA C 117 61.700 61.700 60.104 1.596 25150 10008 1 15 . 1 1 117 117 SER CB C 117 63.120 63.120 64.447 -1.327 25150 10009 1 15 . 1 1 117 117 SER H H 117 8.467 8.467 7.996 0.471 25150 10010 1 15 . 1 1 118 118 SER N N 118 113.628 113.628 115.383 -1.755 25150 10011 1 15 . 1 1 118 118 SER HA H 118 4.485 4.485 4.589 -0.104 25150 10012 1 15 . 1 1 118 118 SER C C 118 174.142 174.142 173.296 0.846 25150 10013 1 15 . 1 1 118 118 SER CA C 118 59.000 59.000 58.100 0.900 25150 10014 1 15 . 1 1 118 118 SER CB C 118 64.040 64.040 64.551 -0.511 25150 10015 1 15 . 1 1 118 118 SER H H 118 8.037 8.037 7.817 0.220 25150 10016 1 15 . 1 1 119 119 CYS N N 119 122.293 122.293 125.793 -3.500 25150 10017 1 15 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.001 -0.811 25150 10018 1 15 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.236 0.034 25150 10019 1 15 . 1 1 119 119 CYS H H 119 7.250 7.250 8.655 -1.405 25150 10020 1 15 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.253 0.287 25150 10021 1 15 . 1 1 120 120 LYS C C 120 176.345 176.345 175.295 1.050 25150 10022 1 15 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.488 9.562 25150 10023 1 15 . 1 1 120 120 LYS CB C 120 33.550 33.550 30.334 3.216 25150 10024 1 15 . 1 1 121 121 GLU N N 121 120.936 120.936 119.288 1.648 25150 10025 1 15 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.529 -0.300 25150 10026 1 15 . 1 1 121 121 GLU C C 121 174.053 174.053 175.938 -1.885 25150 10027 1 15 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.991 0.199 25150 10028 1 15 . 1 1 121 121 GLU CB C 121 32.690 32.690 32.286 0.404 25150 10029 1 15 . 1 1 121 121 GLU H H 121 7.700 7.700 7.596 0.104 25150 10030 1 15 . 1 1 122 122 LYS N N 122 127.472 127.472 124.731 2.741 25150 10031 1 15 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.169 -0.307 25150 10032 1 15 . 1 1 122 122 LYS C C 122 174.440 174.440 176.929 -2.489 25150 10033 1 15 . 1 1 122 122 LYS CA C 122 58.280 58.280 57.943 0.337 25150 10034 1 15 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.879 -0.469 25150 10035 1 15 . 1 1 122 122 LYS H H 122 8.890 8.890 8.676 0.214 25150 10036 1 15 . 1 1 123 123 ARG N N 123 123.268 123.268 119.368 3.900 25150 10037 1 15 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.489 -0.219 25150 10038 1 15 . 1 1 123 123 ARG C C 123 172.653 172.653 175.231 -2.578 25150 10039 1 15 . 1 1 123 123 ARG CA C 123 54.580 54.580 54.747 -0.167 25150 10040 1 15 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.825 0.405 25150 10041 1 15 . 1 1 123 123 ARG H H 123 6.841 6.841 7.884 -1.043 25150 10042 1 15 . 1 1 124 124 ARG N N 124 116.787 116.787 124.540 -7.753 25150 10043 1 15 . 1 1 124 124 ARG CA C 124 54.710 54.710 55.600 -0.890 25150 10044 1 15 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.326 -1.246 25150 10045 1 15 . 1 1 124 124 ARG H H 124 8.044 8.044 8.443 -0.399 25150 10046 1 15 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.182 0.618 25150 10047 1 15 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.110 -0.330 25150 10048 1 15 . 1 1 127 127 ASP N N 127 115.165 115.165 118.280 -3.115 25150 10049 1 15 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.791 0.333 25150 10050 1 15 . 1 1 127 127 ASP C C 127 172.871 172.871 176.563 -3.692 25150 10051 1 15 . 1 1 127 127 ASP CA C 127 52.670 52.670 52.640 0.030 25150 10052 1 15 . 1 1 127 127 ASP CB C 127 39.140 39.140 39.164 -0.024 25150 10053 1 15 . 1 1 127 127 ASP H H 127 8.711 8.711 8.568 0.143 25150 10054 1 15 . 1 1 128 128 ASN N N 128 127.858 127.858 120.044 7.814 25150 10055 1 15 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.961 0.519 25150 10056 1 15 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.433 0.127 25150 10057 1 15 . 1 1 128 128 ASN H H 128 8.502 8.502 8.340 0.162 25150 10058 1 15 . 1 1 129 129 SER C C 129 176.346 176.346 176.170 0.176 25150 10059 1 15 . 1 1 129 129 SER CA C 129 62.330 62.330 61.306 1.024 25150 10060 1 15 . 1 1 130 130 PHE N N 130 121.897 121.897 122.950 -1.053 25150 10061 1 15 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.222 -0.102 25150 10062 1 15 . 1 1 130 130 PHE C C 130 177.740 177.740 177.216 0.524 25150 10063 1 15 . 1 1 130 130 PHE CA C 130 60.960 60.960 60.702 0.258 25150 10064 1 15 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.026 0.734 25150 10065 1 15 . 1 1 130 130 PHE H H 130 8.022 8.022 7.966 0.056 25150 10066 1 15 . 1 1 131 131 TYR N N 131 122.173 122.173 120.321 1.852 25150 10067 1 15 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.088 -0.342 25150 10068 1 15 . 1 1 131 131 TYR C C 131 178.140 178.140 176.611 1.529 25150 10069 1 15 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.586 0.704 25150 10070 1 15 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.551 0.989 25150 10071 1 15 . 1 1 131 131 TYR H H 131 8.871 8.871 8.301 0.570 25150 10072 1 15 . 1 1 132 132 VAL N N 132 116.993 116.993 115.964 1.029 25150 10073 1 15 . 1 1 132 132 VAL C C 132 178.082 178.082 178.750 -0.668 25150 10074 1 15 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.445 0.885 25150 10075 1 15 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.852 -0.402 25150 10076 1 15 . 1 1 132 132 VAL H H 132 8.551 8.551 8.160 0.391 25150 10077 1 15 . 1 1 133 133 ARG N N 133 118.860 118.860 118.615 0.245 25150 10078 1 15 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.632 0.348 25150 10079 1 15 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.457 -0.207 25150 10080 1 15 . 1 1 133 133 ARG H H 133 7.545 7.545 8.150 -0.605 25150 10081 1 15 . 1 1 134 134 THR CA C 134 62.280 62.280 60.341 1.939 25150 10082 1 15 . 1 1 134 134 THR CB C 134 69.790 69.790 68.816 0.974 25150 10083 1 15 . 1 1 135 135 CYS N N 135 125.959 125.959 122.403 3.556 25150 10084 1 15 . 1 1 135 135 CYS CA C 135 59.760 59.760 58.600 1.160 25150 10085 1 15 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.613 11.397 25150 10086 1 15 . 1 1 135 135 CYS H H 135 7.881 7.881 7.450 0.431 25150 10087 1 15 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.575 -0.565 25150 10088 1 15 . 1 1 136 136 ASN C C 136 177.768 177.768 175.839 1.929 25150 10089 1 15 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.449 -0.289 25150 10090 1 15 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.274 0.196 25150 10091 1 15 . 1 1 137 137 LYS N N 137 119.224 119.224 117.884 1.340 25150 10092 1 15 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.415 -0.219 25150 10093 1 15 . 1 1 137 137 LYS C C 137 176.185 176.185 176.115 0.070 25150 10094 1 15 . 1 1 137 137 LYS CA C 137 56.980 56.980 54.859 2.121 25150 10095 1 15 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.163 0.707 25150 10096 1 15 . 1 1 137 137 LYS H H 137 7.678 7.678 7.739 -0.061 25150 10097 1 15 . 1 1 138 138 ASN N N 138 117.174 117.174 122.140 -4.966 25150 10098 1 15 . 1 1 138 138 ASN CA C 138 51.530 51.530 52.612 -1.082 25150 10099 1 15 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.606 0.334 25150 10100 1 15 . 1 1 138 138 ASN H H 138 7.969 7.969 7.352 0.617 25150 10101 1 15 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.322 0.076 25150 10102 1 15 . 1 1 139 139 PRO C C 139 177.335 177.335 175.880 1.455 25150 10103 1 15 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.994 0.856 25150 10104 1 15 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.497 -0.387 25150 10105 1 15 . 1 1 140 140 LYS N N 140 118.218 118.218 123.254 -5.036 25150 10106 1 15 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.096 28.554 25150 10107 1 15 . 1 1 140 140 LYS C C 140 176.564 176.564 176.693 -0.129 25150 10108 1 15 . 1 1 140 140 LYS CA C 140 56.990 56.990 56.815 0.175 25150 10109 1 15 . 1 1 140 140 LYS H H 140 8.108 8.108 8.292 -0.184 25150 10110 1 15 . 1 1 141 141 LYS N N 141 119.276 119.276 126.281 -7.005 25150 10111 1 15 . 1 1 141 141 LYS C C 141 177.924 177.924 176.203 1.721 25150 10112 1 15 . 1 1 141 141 LYS CA C 141 56.100 56.100 55.666 0.433 25150 10113 1 15 . 1 1 141 141 LYS CB C 141 29.780 29.780 33.452 -3.672 25150 10114 1 15 . 1 1 141 141 LYS H H 141 8.135 8.135 8.254 -0.119 25150 10115 1 15 . 1 1 142 142 THR N N 142 115.380 115.380 115.390 -0.010 25150 10116 1 15 . 1 1 142 142 THR CA C 142 61.850 61.850 61.389 0.460 25150 10117 1 15 . 1 1 142 142 THR CB C 142 69.660 69.660 70.147 -0.487 25150 10118 1 15 . 1 1 142 142 THR H H 142 8.030 8.030 8.336 -0.306 25150 10119 1 15 . 1 1 143 143 LYS C C 143 178.955 178.955 176.641 2.314 25150 10120 1 15 . 1 1 144 144 TRP N N 144 120.470 120.470 119.578 0.892 25150 10121 1 15 . 1 1 144 144 TRP C C 144 176.557 176.557 175.664 0.893 25150 10122 1 15 . 1 1 144 144 TRP CA C 144 57.870 57.870 57.291 0.579 25150 10123 1 15 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.057 3.943 25150 10124 1 15 . 1 1 144 144 TRP H H 144 8.094 8.094 7.858 0.236 25150 10125 1 15 . 1 1 145 145 TRP N N 145 120.330 120.330 123.171 -2.841 25150 10126 1 15 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.106 1.014 25150 10127 1 15 . 1 1 145 145 TRP CB C 145 32.850 32.850 29.148 3.703 25150 10128 1 15 . 1 1 145 145 TRP H H 145 8.488 8.488 6.768 1.720 25150 10129 1 15 . 1 1 146 146 TYR C C 146 174.706 174.706 174.143 0.563 25150 10130 1 15 . 1 1 146 146 TYR CA C 146 57.430 57.430 55.773 1.657 25150 10131 1 15 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.932 -0.192 25150 10132 1 15 . 1 1 147 147 HIS N N 147 121.604 121.604 120.645 0.959 25150 10133 1 15 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.357 -0.171 25150 10134 1 15 . 1 1 147 147 HIS C C 147 176.874 176.874 176.103 0.771 25150 10135 1 15 . 1 1 147 147 HIS CA C 147 56.240 56.240 57.239 -0.999 25150 10136 1 15 . 1 1 147 147 HIS CB C 147 31.200 31.200 31.371 -0.171 25150 10137 1 15 . 1 1 147 147 HIS H H 147 7.886 7.886 8.534 -0.647 25150 10138 1 15 . 1 1 148 148 ASP N N 148 122.629 122.629 126.941 -4.312 25150 10139 1 15 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.415 0.129 25150 10140 1 15 . 1 1 148 148 ASP C C 148 175.661 175.661 178.044 -2.383 25150 10141 1 15 . 1 1 148 148 ASP CA C 148 54.180 54.180 57.497 -3.317 25150 10142 1 15 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.542 1.138 25150 10143 1 15 . 1 1 148 148 ASP H H 148 8.109 8.109 8.554 -0.445 25150 10144 1 15 . 1 1 149 149 ASP N N 149 121.321 121.321 119.093 2.228 25150 10145 1 15 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.749 -0.095 25150 10146 1 15 . 1 1 149 149 ASP C C 149 176.551 176.551 177.508 -0.957 25150 10147 1 15 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.898 -1.288 25150 10148 1 15 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.560 0.800 25150 10149 1 15 . 1 1 149 149 ASP H H 149 8.395 8.395 8.880 -0.485 25150 10150 1 15 . 1 1 150 150 THR N N 150 113.450 113.450 110.383 3.067 25150 10151 1 15 . 1 1 150 150 THR HA H 150 4.296 4.296 4.406 -0.110 25150 10152 1 15 . 1 1 150 150 THR C C 150 173.994 173.994 175.036 -1.042 25150 10153 1 15 . 1 1 150 150 THR CA C 150 62.310 62.310 61.084 1.226 25150 10154 1 15 . 1 1 150 150 THR CB C 150 69.870 69.870 69.310 0.560 25150 10155 1 15 . 1 1 150 150 THR H H 150 8.259 8.259 7.997 0.262 25150 10156 1 16 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.104 0.190 25150 10157 1 16 . 1 1 6 6 LYS C C 6 176.970 176.970 179.115 -2.145 25150 10158 1 16 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.445 -1.075 25150 10159 1 16 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.414 0.066 25150 10160 1 16 . 1 1 7 7 ARG N N 7 119.704 119.704 120.367 -0.663 25150 10161 1 16 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.082 0.116 25150 10162 1 16 . 1 1 7 7 ARG C C 7 178.270 178.270 178.535 -0.265 25150 10163 1 16 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.576 0.454 25150 10164 1 16 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.677 -1.117 25150 10165 1 16 . 1 1 7 7 ARG H H 7 8.599 8.599 7.948 0.651 25150 10166 1 16 . 1 1 8 8 LEU N N 8 119.704 119.704 119.137 0.567 25150 10167 1 16 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.792 0.298 25150 10168 1 16 . 1 1 8 8 LEU C C 8 178.980 178.980 179.136 -0.156 25150 10169 1 16 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.426 0.864 25150 10170 1 16 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.148 0.912 25150 10171 1 16 . 1 1 8 8 LEU H H 8 8.599 8.599 8.164 0.435 25150 10172 1 16 . 1 1 9 9 GLN N N 9 117.512 117.512 119.098 -1.586 25150 10173 1 16 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.947 0.090 25150 10174 1 16 . 1 1 9 9 GLN C C 9 178.610 178.610 178.461 0.149 25150 10175 1 16 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.420 -0.110 25150 10176 1 16 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.451 0.029 25150 10177 1 16 . 1 1 9 9 GLN H H 9 8.066 8.066 8.093 -0.027 25150 10178 1 16 . 1 1 10 10 LYS N N 10 119.556 119.556 120.259 -0.703 25150 10179 1 16 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.949 0.131 25150 10180 1 16 . 1 1 10 10 LYS C C 10 180.040 180.040 179.189 0.851 25150 10181 1 16 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.863 -0.183 25150 10182 1 16 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.299 0.161 25150 10183 1 16 . 1 1 10 10 LYS H H 10 7.678 7.678 8.117 -0.439 25150 10184 1 16 . 1 1 11 11 GLU N N 11 120.347 120.347 119.597 0.750 25150 10185 1 16 . 1 1 11 11 GLU HA H 11 4.176 4.176 3.961 0.215 25150 10186 1 16 . 1 1 11 11 GLU C C 11 178.770 178.770 178.672 0.098 25150 10187 1 16 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.385 1.655 25150 10188 1 16 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.578 1.082 25150 10189 1 16 . 1 1 11 11 GLU H H 11 8.533 8.533 8.227 0.306 25150 10190 1 16 . 1 1 12 12 LEU N N 12 123.285 123.285 121.872 1.413 25150 10191 1 16 . 1 1 12 12 LEU C C 12 178.570 178.570 178.362 0.208 25150 10192 1 16 . 1 1 12 12 LEU CA C 12 58.120 58.120 58.170 -0.050 25150 10193 1 16 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.855 -0.775 25150 10194 1 16 . 1 1 12 12 LEU H H 12 8.685 8.685 8.180 0.505 25150 10195 1 16 . 1 1 13 13 LEU N N 13 118.881 118.881 117.941 0.940 25150 10196 1 16 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.030 -0.033 25150 10197 1 16 . 1 1 13 13 LEU C C 13 179.260 179.260 179.174 0.086 25150 10198 1 16 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.714 0.186 25150 10199 1 16 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.380 0.510 25150 10200 1 16 . 1 1 13 13 LEU H H 13 7.588 7.588 8.197 -0.609 25150 10201 1 16 . 1 1 14 14 ALA N N 14 120.667 120.667 122.636 -1.969 25150 10202 1 16 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.014 0.176 25150 10203 1 16 . 1 1 14 14 ALA C C 14 176.270 176.270 179.736 -3.466 25150 10204 1 16 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.245 -0.055 25150 10205 1 16 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.246 -0.216 25150 10206 1 16 . 1 1 14 14 ALA H H 14 7.617 7.617 8.063 -0.446 25150 10207 1 16 . 1 1 15 15 LEU N N 15 119.965 119.965 116.708 3.257 25150 10208 1 16 . 1 1 15 15 LEU CA C 15 57.450 57.450 56.486 0.964 25150 10209 1 16 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.861 0.399 25150 10210 1 16 . 1 1 15 15 LEU H H 15 7.726 7.726 7.818 -0.092 25150 10211 1 16 . 1 1 16 16 GLN N N 16 115.381 115.381 117.051 -1.670 25150 10212 1 16 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.090 -0.112 25150 10213 1 16 . 1 1 16 16 GLN C C 16 177.950 177.950 177.675 0.275 25150 10214 1 16 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.183 0.277 25150 10215 1 16 . 1 1 16 16 GLN CB C 16 29.790 29.790 29.102 0.688 25150 10216 1 16 . 1 1 16 16 GLN H H 16 8.028 8.028 8.116 -0.088 25150 10217 1 16 . 1 1 17 17 ASN N N 17 114.975 114.975 116.853 -1.878 25150 10218 1 16 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.610 0.020 25150 10219 1 16 . 1 1 17 17 ASN C C 17 175.303 175.303 175.449 -0.146 25150 10220 1 16 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.174 -0.294 25150 10221 1 16 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.279 0.571 25150 10222 1 16 . 1 1 17 17 ASN H H 17 8.136 8.136 8.119 0.017 25150 10223 1 16 . 1 1 18 18 ASP N N 18 119.698 119.698 118.118 1.580 25150 10224 1 16 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.386 1.074 25150 10225 1 16 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.273 -0.763 25150 10226 1 16 . 1 1 18 18 ASP H H 18 8.218 8.218 8.090 0.128 25150 10227 1 16 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.350 -0.035 25150 10228 1 16 . 1 1 21 21 PRO C C 21 177.867 177.867 177.784 0.083 25150 10229 1 16 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.123 -0.302 25150 10230 1 16 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.628 -0.058 25150 10231 1 16 . 1 1 22 22 GLY N N 22 111.293 111.293 112.265 -0.972 25150 10232 1 16 . 1 1 22 22 GLY C C 22 174.342 174.342 173.476 0.866 25150 10233 1 16 . 1 1 22 22 GLY CA C 22 45.990 45.990 44.944 1.046 25150 10234 1 16 . 1 1 22 22 GLY H H 22 8.506 8.506 8.718 -0.212 25150 10235 1 16 . 1 1 23 23 MET N N 23 118.966 118.966 120.812 -1.846 25150 10236 1 16 . 1 1 23 23 MET HA H 23 5.699 5.699 5.505 0.194 25150 10237 1 16 . 1 1 23 23 MET C C 23 175.386 175.386 174.350 1.036 25150 10238 1 16 . 1 1 23 23 MET CA C 23 55.270 55.270 54.791 0.479 25150 10239 1 16 . 1 1 23 23 MET CB C 23 35.890 35.890 35.902 -0.012 25150 10240 1 16 . 1 1 23 23 MET H H 23 8.017 8.017 7.810 0.207 25150 10241 1 16 . 1 1 24 24 THR N N 24 112.647 112.647 122.647 -10.000 25150 10242 1 16 . 1 1 24 24 THR HA H 24 4.596 4.596 4.714 -0.118 25150 10243 1 16 . 1 1 24 24 THR C C 24 173.407 173.407 173.381 0.026 25150 10244 1 16 . 1 1 24 24 THR CA C 24 60.850 60.850 61.495 -0.645 25150 10245 1 16 . 1 1 24 24 THR CB C 24 72.360 72.360 71.734 0.626 25150 10246 1 16 . 1 1 24 24 THR H H 24 8.565 8.565 8.930 -0.365 25150 10247 1 16 . 1 1 25 25 LEU N N 25 126.920 126.920 126.701 0.219 25150 10248 1 16 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.455 -0.159 25150 10249 1 16 . 1 1 25 25 LEU C C 25 175.624 175.624 176.205 -0.581 25150 10250 1 16 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.772 1.398 25150 10251 1 16 . 1 1 25 25 LEU CB C 25 42.710 42.710 42.685 0.025 25150 10252 1 16 . 1 1 25 25 LEU H H 25 9.189 9.189 8.580 0.609 25150 10253 1 16 . 1 1 26 26 ASN N N 26 127.108 127.108 122.296 4.812 25150 10254 1 16 . 1 1 26 26 ASN C C 26 173.783 173.783 174.545 -0.762 25150 10255 1 16 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.948 2.152 25150 10256 1 16 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.124 0.246 25150 10257 1 16 . 1 1 26 26 ASN H H 26 9.000 9.000 8.681 0.319 25150 10258 1 16 . 1 1 27 27 GLU N N 27 108.990 108.990 121.235 -12.245 25150 10259 1 16 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.144 0.466 25150 10260 1 16 . 1 1 27 27 GLU H H 27 7.631 7.631 8.550 -0.919 25150 10261 1 16 . 1 1 30 30 VAL C C 30 177.011 177.011 177.370 -0.359 25150 10262 1 16 . 1 1 30 30 VAL CA C 30 55.230 55.230 64.245 -9.015 25150 10263 1 16 . 1 1 30 30 VAL CB C 30 30.860 30.860 31.595 -0.735 25150 10264 1 16 . 1 1 31 31 GLN N N 31 125.960 125.960 119.556 6.404 25150 10265 1 16 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.298 0.132 25150 10266 1 16 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.735 0.395 25150 10267 1 16 . 1 1 31 31 GLN H H 31 7.880 7.880 8.031 -0.151 25150 10268 1 16 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.679 -0.019 25150 10269 1 16 . 1 1 34 34 ILE C C 34 178.642 178.642 175.656 2.986 25150 10270 1 16 . 1 1 34 34 ILE CA C 34 54.970 54.970 59.261 -4.291 25150 10271 1 16 . 1 1 34 34 ILE CB C 34 42.000 42.000 40.134 1.866 25150 10272 1 16 . 1 1 35 35 THR N N 35 110.980 110.980 110.526 0.454 25150 10273 1 16 . 1 1 35 35 THR CA C 35 61.070 61.070 61.800 -0.730 25150 10274 1 16 . 1 1 35 35 THR CB C 35 69.090 69.090 69.267 -0.177 25150 10275 1 16 . 1 1 35 35 THR H H 35 7.825 7.825 8.133 -0.308 25150 10276 1 16 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.286 0.338 25150 10277 1 16 . 1 1 36 36 GLN C C 36 174.178 174.178 174.144 0.034 25150 10278 1 16 . 1 1 36 36 GLN CA C 36 55.090 55.090 53.878 1.212 25150 10279 1 16 . 1 1 36 36 GLN CB C 36 32.290 32.290 31.588 0.702 25150 10280 1 16 . 1 1 37 37 TRP N N 37 123.942 123.942 125.672 -1.730 25150 10281 1 16 . 1 1 37 37 TRP HA H 37 5.576 5.576 4.917 0.659 25150 10282 1 16 . 1 1 37 37 TRP C C 37 174.959 174.959 175.534 -0.575 25150 10283 1 16 . 1 1 37 37 TRP CA C 37 53.630 53.630 56.572 -2.942 25150 10284 1 16 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.679 0.271 25150 10285 1 16 . 1 1 37 37 TRP H H 37 9.242 9.242 9.201 0.041 25150 10286 1 16 . 1 1 38 38 ILE N N 38 121.559 121.559 121.545 0.014 25150 10287 1 16 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.107 0.172 25150 10288 1 16 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.550 -1.120 25150 10289 1 16 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.572 -0.332 25150 10290 1 16 . 1 1 38 38 ILE H H 38 8.778 8.778 8.890 -0.112 25150 10291 1 16 . 1 1 39 39 VAL N N 39 128.719 128.719 127.790 0.929 25150 10292 1 16 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.756 -0.175 25150 10293 1 16 . 1 1 39 39 VAL C C 39 175.175 175.175 174.941 0.234 25150 10294 1 16 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.593 0.657 25150 10295 1 16 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.616 1.234 25150 10296 1 16 . 1 1 39 39 VAL H H 39 9.533 9.533 9.190 0.343 25150 10297 1 16 . 1 1 40 40 ASP N N 40 128.451 128.451 128.079 0.372 25150 10298 1 16 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.171 0.047 25150 10299 1 16 . 1 1 40 40 ASP C C 40 175.157 175.157 174.890 0.267 25150 10300 1 16 . 1 1 40 40 ASP CA C 40 55.310 55.310 54.330 0.980 25150 10301 1 16 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.398 0.102 25150 10302 1 16 . 1 1 40 40 ASP H H 40 9.165 9.165 9.067 0.098 25150 10303 1 16 . 1 1 41 41 MET N N 41 120.544 120.544 123.729 -3.185 25150 10304 1 16 . 1 1 41 41 MET HA H 41 5.467 5.467 5.599 -0.132 25150 10305 1 16 . 1 1 41 41 MET C C 41 173.590 173.590 173.859 -0.269 25150 10306 1 16 . 1 1 41 41 MET CA C 41 54.610 54.610 54.352 0.258 25150 10307 1 16 . 1 1 41 41 MET CB C 41 37.490 37.490 37.807 -0.317 25150 10308 1 16 . 1 1 41 41 MET H H 41 8.756 8.756 9.232 -0.476 25150 10309 1 16 . 1 1 42 42 GLU N N 42 125.740 125.740 127.364 -1.624 25150 10310 1 16 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.341 -0.331 25150 10311 1 16 . 1 1 42 42 GLU C C 42 177.323 177.323 177.036 0.287 25150 10312 1 16 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.280 0.200 25150 10313 1 16 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.154 -0.894 25150 10314 1 16 . 1 1 42 42 GLU H H 42 8.706 8.706 8.637 0.069 25150 10315 1 16 . 1 1 43 43 GLY N N 43 111.314 111.314 113.528 -2.214 25150 10316 1 16 . 1 1 43 43 GLY C C 43 174.121 174.121 174.078 0.043 25150 10317 1 16 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.687 -0.297 25150 10318 1 16 . 1 1 43 43 GLY H H 43 8.917 8.917 8.863 0.054 25150 10319 1 16 . 1 1 44 44 ALA N N 44 128.665 128.665 128.638 0.027 25150 10320 1 16 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.412 0.648 25150 10321 1 16 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.698 -0.228 25150 10322 1 16 . 1 1 44 44 ALA H H 44 8.918 8.918 8.378 0.540 25150 10323 1 16 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.324 -0.024 25150 10324 1 16 . 1 1 45 45 PRO C C 45 177.598 177.598 177.589 0.009 25150 10325 1 16 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.085 0.325 25150 10326 1 16 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.930 -0.140 25150 10327 1 16 . 1 1 46 46 GLY N N 46 111.319 111.319 109.498 1.821 25150 10328 1 16 . 1 1 46 46 GLY C C 46 174.290 174.290 174.007 0.283 25150 10329 1 16 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.192 0.718 25150 10330 1 16 . 1 1 46 46 GLY H H 46 9.449 9.449 9.174 0.275 25150 10331 1 16 . 1 1 47 47 THR N N 47 107.981 107.981 112.524 -4.543 25150 10332 1 16 . 1 1 47 47 THR HA H 47 4.801 4.801 4.614 0.187 25150 10333 1 16 . 1 1 47 47 THR C C 47 176.158 176.158 175.078 1.080 25150 10334 1 16 . 1 1 47 47 THR CA C 47 60.380 60.380 60.843 -0.463 25150 10335 1 16 . 1 1 47 47 THR CB C 47 73.420 73.420 69.947 3.473 25150 10336 1 16 . 1 1 47 47 THR H H 47 7.426 7.426 7.338 0.088 25150 10337 1 16 . 1 1 48 48 LEU N N 48 119.132 119.132 123.188 -4.056 25150 10338 1 16 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.069 -0.012 25150 10339 1 16 . 1 1 48 48 LEU C C 48 175.907 175.907 177.286 -1.379 25150 10340 1 16 . 1 1 48 48 LEU CA C 48 56.490 56.490 57.506 -1.016 25150 10341 1 16 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.942 -0.322 25150 10342 1 16 . 1 1 48 48 LEU H H 48 8.966 8.966 8.846 0.120 25150 10343 1 16 . 1 1 49 49 TYR N N 49 113.649 113.649 113.798 -0.149 25150 10344 1 16 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.894 -0.069 25150 10345 1 16 . 1 1 49 49 TYR C C 49 174.634 174.634 175.256 -0.622 25150 10346 1 16 . 1 1 49 49 TYR CA C 49 56.110 56.110 55.852 0.258 25150 10347 1 16 . 1 1 49 49 TYR CB C 49 38.390 38.390 37.852 0.538 25150 10348 1 16 . 1 1 49 49 TYR H H 49 7.205 7.205 7.868 -0.663 25150 10349 1 16 . 1 1 50 50 GLU N N 50 122.006 122.006 121.865 0.141 25150 10350 1 16 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.171 -0.694 25150 10351 1 16 . 1 1 50 50 GLU C C 50 177.182 177.182 177.859 -0.677 25150 10352 1 16 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.094 0.006 25150 10353 1 16 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.249 0.791 25150 10354 1 16 . 1 1 50 50 GLU H H 50 6.934 6.934 7.538 -0.604 25150 10355 1 16 . 1 1 51 51 GLY N N 51 115.165 115.165 115.964 -0.799 25150 10356 1 16 . 1 1 51 51 GLY C C 51 173.997 173.997 174.307 -0.310 25150 10357 1 16 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.992 0.508 25150 10358 1 16 . 1 1 51 51 GLY H H 51 8.752 8.752 8.882 -0.130 25150 10359 1 16 . 1 1 52 52 GLU N N 52 120.251 120.251 121.325 -1.074 25150 10360 1 16 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.245 -0.275 25150 10361 1 16 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.915 0.525 25150 10362 1 16 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.749 1.951 25150 10363 1 16 . 1 1 52 52 GLU H H 52 7.900 7.900 8.112 -0.212 25150 10364 1 16 . 1 1 53 53 LYS N N 53 120.435 120.435 123.892 -3.457 25150 10365 1 16 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.006 -0.320 25150 10366 1 16 . 1 1 53 53 LYS C C 53 175.285 175.285 175.198 0.087 25150 10367 1 16 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.541 -0.161 25150 10368 1 16 . 1 1 53 53 LYS CB C 53 34.060 34.060 34.221 -0.161 25150 10369 1 16 . 1 1 53 53 LYS H H 53 8.046 8.046 8.267 -0.221 25150 10370 1 16 . 1 1 54 54 PHE N N 54 122.724 122.724 123.380 -0.656 25150 10371 1 16 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.919 0.601 25150 10372 1 16 . 1 1 54 54 PHE C C 54 175.151 175.151 174.272 0.879 25150 10373 1 16 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.639 -1.949 25150 10374 1 16 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.993 0.607 25150 10375 1 16 . 1 1 54 54 PHE H H 54 9.082 9.082 9.020 0.062 25150 10376 1 16 . 1 1 55 55 GLN N N 55 121.971 121.971 119.075 2.896 25150 10377 1 16 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.457 -0.106 25150 10378 1 16 . 1 1 55 55 GLN C C 55 173.802 173.802 174.965 -1.163 25150 10379 1 16 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.521 1.679 25150 10380 1 16 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.870 1.450 25150 10381 1 16 . 1 1 55 55 GLN H H 55 10.001 10.001 8.712 1.289 25150 10382 1 16 . 1 1 56 56 LEU N N 56 124.898 124.898 122.369 2.529 25150 10383 1 16 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.274 -0.582 25150 10384 1 16 . 1 1 56 56 LEU C C 56 174.265 174.265 175.719 -1.454 25150 10385 1 16 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.264 0.156 25150 10386 1 16 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.017 1.673 25150 10387 1 16 . 1 1 56 56 LEU H H 56 9.573 9.573 9.132 0.441 25150 10388 1 16 . 1 1 57 57 LEU N N 57 124.234 124.234 121.166 3.068 25150 10389 1 16 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.300 -0.130 25150 10390 1 16 . 1 1 57 57 LEU C C 57 174.551 174.551 175.692 -1.141 25150 10391 1 16 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.542 0.128 25150 10392 1 16 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.067 1.453 25150 10393 1 16 . 1 1 57 57 LEU H H 57 8.890 8.890 8.797 0.093 25150 10394 1 16 . 1 1 58 58 PHE N N 58 124.003 124.003 121.737 2.266 25150 10395 1 16 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.810 -0.060 25150 10396 1 16 . 1 1 58 58 PHE C C 58 174.407 174.407 174.281 0.126 25150 10397 1 16 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.039 -0.039 25150 10398 1 16 . 1 1 58 58 PHE CB C 58 42.940 42.940 39.916 3.023 25150 10399 1 16 . 1 1 58 58 PHE H H 58 9.134 9.134 9.394 -0.260 25150 10400 1 16 . 1 1 59 59 LYS N N 59 120.089 120.089 124.064 -3.975 25150 10401 1 16 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.906 -0.023 25150 10402 1 16 . 1 1 59 59 LYS C C 59 175.192 175.192 174.782 0.410 25150 10403 1 16 . 1 1 59 59 LYS CA C 59 54.820 54.820 55.226 -0.406 25150 10404 1 16 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.330 1.200 25150 10405 1 16 . 1 1 59 59 LYS H H 59 8.732 8.732 8.417 0.315 25150 10406 1 16 . 1 1 60 60 PHE N N 60 123.988 123.988 125.457 -1.469 25150 10407 1 16 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.685 -0.381 25150 10408 1 16 . 1 1 60 60 PHE C C 60 174.636 174.636 174.933 -0.297 25150 10409 1 16 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.614 0.636 25150 10410 1 16 . 1 1 60 60 PHE CB C 60 41.160 41.160 41.688 -0.527 25150 10411 1 16 . 1 1 60 60 PHE H H 60 8.649 8.649 8.953 -0.304 25150 10412 1 16 . 1 1 61 61 SER N N 61 117.599 117.599 116.312 1.287 25150 10413 1 16 . 1 1 61 61 SER C C 61 174.771 174.771 176.095 -1.324 25150 10414 1 16 . 1 1 61 61 SER CA C 61 57.130 57.130 56.510 0.620 25150 10415 1 16 . 1 1 61 61 SER CB C 61 66.030 66.030 64.616 1.414 25150 10416 1 16 . 1 1 61 61 SER H H 61 8.066 8.066 8.736 -0.670 25150 10417 1 16 . 1 1 62 62 SER N N 62 119.994 119.994 122.526 -2.532 25150 10418 1 16 . 1 1 62 62 SER CA C 62 61.650 61.650 60.987 0.663 25150 10419 1 16 . 1 1 62 62 SER H H 62 8.265 8.265 9.006 -0.741 25150 10420 1 16 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.475 -0.025 25150 10421 1 16 . 1 1 63 63 ARG C C 63 175.086 175.086 176.244 -1.158 25150 10422 1 16 . 1 1 63 63 ARG CA C 63 57.670 57.670 55.195 2.475 25150 10423 1 16 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.704 -0.654 25150 10424 1 16 . 1 1 64 64 TYR N N 64 120.957 120.957 124.595 -3.638 25150 10425 1 16 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.442 1.238 25150 10426 1 16 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.707 -0.987 25150 10427 1 16 . 1 1 64 64 TYR H H 64 7.471 7.471 8.063 -0.592 25150 10428 1 16 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.774 -0.104 25150 10429 1 16 . 1 1 65 65 PRO C C 65 174.345 174.345 175.922 -1.577 25150 10430 1 16 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.944 0.516 25150 10431 1 16 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.500 2.870 25150 10432 1 16 . 1 1 66 66 PHE N N 66 126.070 126.070 121.629 4.441 25150 10433 1 16 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.344 -0.101 25150 10434 1 16 . 1 1 66 66 PHE C C 66 175.867 175.867 174.486 1.381 25150 10435 1 16 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.179 -0.099 25150 10436 1 16 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.631 -1.621 25150 10437 1 16 . 1 1 66 66 PHE H H 66 8.630 8.630 8.322 0.308 25150 10438 1 16 . 1 1 67 67 ASP N N 67 118.021 118.021 118.542 -0.521 25150 10439 1 16 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.665 -0.706 25150 10440 1 16 . 1 1 67 67 ASP CA C 67 5.630 5.630 54.571 -48.941 25150 10441 1 16 . 1 1 67 67 ASP CB C 67 34.840 34.840 41.998 -7.158 25150 10442 1 16 . 1 1 67 67 ASP H H 67 7.126 7.126 7.965 -0.839 25150 10443 1 16 . 1 1 68 68 SER N N 68 120.730 120.730 116.252 4.478 25150 10444 1 16 . 1 1 68 68 SER CA C 68 55.750 55.750 55.633 0.117 25150 10445 1 16 . 1 1 68 68 SER CB C 68 61.900 61.900 63.125 -1.225 25150 10446 1 16 . 1 1 68 68 SER H H 68 8.091 8.091 8.167 -0.076 25150 10447 1 16 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.323 0.033 25150 10448 1 16 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.160 -0.080 25150 10449 1 16 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.633 0.077 25150 10450 1 16 . 1 1 70 70 GLN N N 70 119.493 119.493 121.608 -2.115 25150 10451 1 16 . 1 1 70 70 GLN CA C 70 55.070 55.070 54.882 0.188 25150 10452 1 16 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.018 1.472 25150 10453 1 16 . 1 1 70 70 GLN H H 70 8.049 8.049 8.283 -0.234 25150 10454 1 16 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.815 -0.415 25150 10455 1 16 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.008 -0.198 25150 10456 1 16 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.682 -0.842 25150 10457 1 16 . 1 1 72 72 MET N N 72 120.767 120.767 120.230 0.537 25150 10458 1 16 . 1 1 72 72 MET HA H 72 4.731 4.731 4.924 -0.193 25150 10459 1 16 . 1 1 72 72 MET C C 72 174.779 174.779 174.060 0.719 25150 10460 1 16 . 1 1 72 72 MET CA C 72 54.390 54.390 54.035 0.355 25150 10461 1 16 . 1 1 72 72 MET CB C 72 36.140 36.140 36.818 -0.678 25150 10462 1 16 . 1 1 72 72 MET H H 72 8.245 8.245 8.037 0.208 25150 10463 1 16 . 1 1 73 73 PHE N N 73 120.458 120.458 119.103 1.355 25150 10464 1 16 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.555 -0.341 25150 10465 1 16 . 1 1 73 73 PHE C C 73 175.404 175.404 176.412 -1.008 25150 10466 1 16 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.160 1.420 25150 10467 1 16 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.400 0.220 25150 10468 1 16 . 1 1 73 73 PHE H H 73 9.193 9.193 8.699 0.494 25150 10469 1 16 . 1 1 74 74 THR N N 74 113.842 113.842 115.973 -2.131 25150 10470 1 16 . 1 1 74 74 THR HA H 74 4.777 4.777 4.658 0.119 25150 10471 1 16 . 1 1 74 74 THR C C 74 173.551 173.551 173.382 0.169 25150 10472 1 16 . 1 1 74 74 THR CA C 74 59.580 59.580 60.622 -1.042 25150 10473 1 16 . 1 1 74 74 THR CB C 74 71.300 71.300 70.911 0.389 25150 10474 1 16 . 1 1 74 74 THR H H 74 8.894 8.894 9.042 -0.148 25150 10475 1 16 . 1 1 75 75 GLY N N 75 109.259 109.259 112.824 -3.565 25150 10476 1 16 . 1 1 75 75 GLY C C 75 173.980 173.980 173.855 0.125 25150 10477 1 16 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.900 -0.190 25150 10478 1 16 . 1 1 75 75 GLY H H 75 8.058 8.058 8.456 -0.398 25150 10479 1 16 . 1 1 76 76 GLU N N 76 116.661 116.661 119.163 -2.502 25150 10480 1 16 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.128 0.013 25150 10481 1 16 . 1 1 76 76 GLU C C 76 176.624 176.624 176.025 0.599 25150 10482 1 16 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.127 0.913 25150 10483 1 16 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.761 1.149 25150 10484 1 16 . 1 1 76 76 GLU H H 76 8.356 8.356 8.587 -0.231 25150 10485 1 16 . 1 1 77 77 ASN N N 77 118.469 118.469 119.175 -0.706 25150 10486 1 16 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.862 0.248 25150 10487 1 16 . 1 1 77 77 ASN C C 77 176.525 176.525 173.458 3.067 25150 10488 1 16 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.346 -0.105 25150 10489 1 16 . 1 1 77 77 ASN CB C 77 39.710 39.710 38.794 0.916 25150 10490 1 16 . 1 1 77 77 ASN H H 77 8.614 8.614 8.152 0.462 25150 10491 1 16 . 1 1 78 78 ILE N N 78 117.605 117.605 125.207 -7.602 25150 10492 1 16 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.280 3.110 25150 10493 1 16 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.686 3.954 25150 10494 1 16 . 1 1 78 78 ILE H H 78 7.736 7.736 8.197 -0.461 25150 10495 1 16 . 1 1 79 79 PRO C C 79 176.134 176.134 176.136 -0.002 25150 10496 1 16 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.038 0.792 25150 10497 1 16 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.283 -1.123 25150 10498 1 16 . 1 1 80 80 VAL N N 80 123.378 123.378 122.035 1.343 25150 10499 1 16 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.763 0.067 25150 10500 1 16 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.912 -1.992 25150 10501 1 16 . 1 1 80 80 VAL H H 80 8.297 8.297 8.403 -0.106 25150 10502 1 16 . 1 1 82 82 PRO C C 82 176.169 176.169 176.968 -0.799 25150 10503 1 16 . 1 1 82 82 PRO CA C 82 64.710 64.710 65.187 -0.477 25150 10504 1 16 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.783 -0.113 25150 10505 1 16 . 1 1 83 83 HIS N N 83 121.199 121.199 113.964 7.235 25150 10506 1 16 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.796 0.045 25150 10507 1 16 . 1 1 83 83 HIS C C 83 173.457 173.457 173.685 -0.228 25150 10508 1 16 . 1 1 83 83 HIS CA C 83 54.680 54.680 56.142 -1.462 25150 10509 1 16 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.455 0.775 25150 10510 1 16 . 1 1 83 83 HIS H H 83 10.996 10.996 9.101 1.895 25150 10511 1 16 . 1 1 84 84 VAL N N 84 121.050 121.050 120.431 0.619 25150 10512 1 16 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.989 -0.212 25150 10513 1 16 . 1 1 84 84 VAL C C 84 175.155 175.155 174.607 0.548 25150 10514 1 16 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.722 0.377 25150 10515 1 16 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.315 -0.205 25150 10516 1 16 . 1 1 84 84 VAL H H 84 8.058 8.058 7.644 0.414 25150 10517 1 16 . 1 1 85 85 TYR N N 85 126.195 126.195 124.496 1.699 25150 10518 1 16 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.741 -0.056 25150 10519 1 16 . 1 1 85 85 TYR C C 85 179.268 179.268 177.428 1.840 25150 10520 1 16 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.310 2.079 25150 10521 1 16 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.320 0.950 25150 10522 1 16 . 1 1 85 85 TYR H H 85 9.136 9.136 9.061 0.075 25150 10523 1 16 . 1 1 86 86 SER N N 86 115.546 115.546 116.562 -1.016 25150 10524 1 16 . 1 1 86 86 SER HA H 86 3.935 3.935 4.245 -0.310 25150 10525 1 16 . 1 1 86 86 SER C C 86 174.309 174.309 174.512 -0.203 25150 10526 1 16 . 1 1 86 86 SER CA C 86 61.890 61.890 60.679 1.211 25150 10527 1 16 . 1 1 86 86 SER CB C 86 62.230 62.230 62.776 -0.546 25150 10528 1 16 . 1 1 86 86 SER H H 86 10.052 10.052 8.813 1.239 25150 10529 1 16 . 1 1 87 87 ASN N N 87 116.470 116.470 116.929 -0.459 25150 10530 1 16 . 1 1 87 87 ASN C C 87 175.624 175.624 175.453 0.171 25150 10531 1 16 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.521 -0.181 25150 10532 1 16 . 1 1 87 87 ASN CB C 87 37.490 37.490 38.060 -0.570 25150 10533 1 16 . 1 1 87 87 ASN H H 87 7.331 7.331 8.339 -1.008 25150 10534 1 16 . 1 1 88 88 GLY N N 88 108.412 108.412 107.840 0.572 25150 10535 1 16 . 1 1 88 88 GLY C C 88 174.247 174.247 174.005 0.242 25150 10536 1 16 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.223 0.687 25150 10537 1 16 . 1 1 88 88 GLY H H 88 8.737 8.737 8.387 0.350 25150 10538 1 16 . 1 1 89 89 HIS N N 89 119.508 119.508 122.462 -2.954 25150 10539 1 16 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.610 -1.310 25150 10540 1 16 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.549 1.311 25150 10541 1 16 . 1 1 89 89 HIS H H 89 7.494 7.494 8.722 -1.228 25150 10542 1 16 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.608 -0.194 25150 10543 1 16 . 1 1 90 90 ILE C C 90 174.510 174.510 176.033 -1.523 25150 10544 1 16 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.216 -1.896 25150 10545 1 16 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.426 -0.146 25150 10546 1 16 . 1 1 91 91 CYS N N 91 123.587 123.587 129.266 -5.679 25150 10547 1 16 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.450 5.130 25150 10548 1 16 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.389 8.001 25150 10549 1 16 . 1 1 91 91 CYS H H 91 7.304 7.304 8.979 -1.675 25150 10550 1 16 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.707 -0.037 25150 10551 1 16 . 1 1 92 92 LEU C C 92 175.822 175.822 176.594 -0.772 25150 10552 1 16 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.758 5.702 25150 10553 1 16 . 1 1 92 92 LEU CB C 92 41.420 41.420 44.786 -3.366 25150 10554 1 16 . 1 1 93 93 SER N N 93 111.707 111.707 122.946 -11.239 25150 10555 1 16 . 1 1 93 93 SER HA H 93 4.331 4.331 4.161 0.170 25150 10556 1 16 . 1 1 93 93 SER C C 93 177.433 177.433 175.526 1.907 25150 10557 1 16 . 1 1 93 93 SER CA C 93 62.150 62.150 61.770 0.380 25150 10558 1 16 . 1 1 93 93 SER H H 93 9.037 9.037 8.906 0.131 25150 10559 1 16 . 1 1 94 94 ILE N N 94 118.993 118.993 113.573 5.420 25150 10560 1 16 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.329 169.209 25150 10561 1 16 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.023 2.287 25150 10562 1 16 . 1 1 94 94 ILE CB C 94 37.900 37.900 36.492 1.408 25150 10563 1 16 . 1 1 94 94 ILE H H 94 7.859 7.859 7.925 -0.066 25150 10564 1 16 . 1 1 95 95 LEU N N 95 113.763 113.763 120.025 -6.262 25150 10565 1 16 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.626 0.026 25150 10566 1 16 . 1 1 95 95 LEU C C 95 178.458 178.458 177.137 1.321 25150 10567 1 16 . 1 1 95 95 LEU CA C 95 55.330 55.330 54.244 1.086 25150 10568 1 16 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.491 -0.411 25150 10569 1 16 . 1 1 95 95 LEU H H 95 7.351 7.351 7.887 -0.536 25150 10570 1 16 . 1 1 96 96 THR N N 96 109.929 109.929 112.616 -2.687 25150 10571 1 16 . 1 1 96 96 THR HA H 96 4.338 4.338 4.659 -0.321 25150 10572 1 16 . 1 1 96 96 THR C C 96 175.947 175.947 175.818 0.129 25150 10573 1 16 . 1 1 96 96 THR CA C 96 60.960 60.960 60.950 0.010 25150 10574 1 16 . 1 1 96 96 THR CB C 96 69.280 69.280 69.718 -0.438 25150 10575 1 16 . 1 1 96 96 THR H H 96 7.794 7.794 7.856 -0.062 25150 10576 1 16 . 1 1 97 97 GLU N N 97 123.314 123.314 118.710 4.604 25150 10577 1 16 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.132 0.185 25150 10578 1 16 . 1 1 97 97 GLU C C 97 176.907 176.907 177.008 -0.101 25150 10579 1 16 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.769 -0.089 25150 10580 1 16 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.349 1.441 25150 10581 1 16 . 1 1 97 97 GLU H H 97 8.913 8.913 8.659 0.254 25150 10582 1 16 . 1 1 98 98 ASP N N 98 116.420 116.420 117.370 -0.950 25150 10583 1 16 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.885 -0.695 25150 10584 1 16 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.159 0.341 25150 10585 1 16 . 1 1 98 98 ASP H H 98 8.124 8.124 7.831 0.293 25150 10586 1 16 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.451 -0.031 25150 10587 1 16 . 1 1 99 99 TRP C C 99 176.495 176.495 174.364 2.131 25150 10588 1 16 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.320 0.110 25150 10589 1 16 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.517 -0.937 25150 10590 1 16 . 1 1 100 100 SER N N 100 120.993 120.993 118.549 2.444 25150 10591 1 16 . 1 1 100 100 SER CA C 100 55.370 55.370 55.129 0.241 25150 10592 1 16 . 1 1 100 100 SER CB C 100 64.860 64.860 64.070 0.789 25150 10593 1 16 . 1 1 100 100 SER H H 100 5.703 5.703 7.021 -1.318 25150 10594 1 16 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.113 0.080 25150 10595 1 16 . 1 1 101 101 PRO C C 101 175.227 175.227 176.379 -1.152 25150 10596 1 16 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.590 -0.890 25150 10597 1 16 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.554 -0.134 25150 10598 1 16 . 1 1 102 102 ALA N N 102 118.668 118.668 117.917 0.751 25150 10599 1 16 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.165 -0.071 25150 10600 1 16 . 1 1 102 102 ALA C C 102 178.797 178.797 177.975 0.822 25150 10601 1 16 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.452 0.378 25150 10602 1 16 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.941 0.069 25150 10603 1 16 . 1 1 102 102 ALA H H 102 7.290 7.290 7.543 -0.253 25150 10604 1 16 . 1 1 103 103 LEU N N 103 119.365 119.365 118.267 1.098 25150 10605 1 16 . 1 1 103 103 LEU CA C 103 54.210 54.210 53.456 0.753 25150 10606 1 16 . 1 1 103 103 LEU CB C 103 41.710 41.710 43.189 -1.479 25150 10607 1 16 . 1 1 103 103 LEU H H 103 7.263 7.263 7.081 0.182 25150 10608 1 16 . 1 1 104 104 SER HA H 104 4.381 4.381 5.295 -0.914 25150 10609 1 16 . 1 1 104 104 SER C C 104 175.278 175.278 175.662 -0.384 25150 10610 1 16 . 1 1 104 104 SER CA C 104 56.500 56.500 56.285 0.215 25150 10611 1 16 . 1 1 104 104 SER CB C 104 66.770 66.770 66.511 0.259 25150 10612 1 16 . 1 1 105 105 VAL N N 105 123.025 123.025 121.539 1.486 25150 10613 1 16 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.591 0.021 25150 10614 1 16 . 1 1 105 105 VAL C C 105 179.053 179.053 177.573 1.480 25150 10615 1 16 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.815 1.255 25150 10616 1 16 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.428 0.192 25150 10617 1 16 . 1 1 105 105 VAL H H 105 9.841 9.841 9.048 0.793 25150 10618 1 16 . 1 1 106 106 GLN N N 106 121.218 121.218 120.129 1.089 25150 10619 1 16 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.041 -0.186 25150 10620 1 16 . 1 1 106 106 GLN C C 106 177.698 177.698 178.427 -0.729 25150 10621 1 16 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.506 1.624 25150 10622 1 16 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.662 -0.432 25150 10623 1 16 . 1 1 106 106 GLN H H 106 9.109 9.109 8.633 0.476 25150 10624 1 16 . 1 1 107 107 SER N N 107 115.531 115.531 115.590 -0.059 25150 10625 1 16 . 1 1 107 107 SER C C 107 177.828 177.828 176.722 1.106 25150 10626 1 16 . 1 1 107 107 SER CA C 107 62.500 62.500 61.699 0.801 25150 10627 1 16 . 1 1 107 107 SER CB C 107 62.670 62.670 62.679 -0.009 25150 10628 1 16 . 1 1 107 107 SER H H 107 8.209 8.209 7.885 0.324 25150 10629 1 16 . 1 1 108 108 VAL N N 108 123.756 123.756 123.057 0.699 25150 10630 1 16 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.776 -0.115 25150 10631 1 16 . 1 1 108 108 VAL C C 108 178.087 178.087 178.006 0.081 25150 10632 1 16 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.861 0.109 25150 10633 1 16 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.822 -0.112 25150 10634 1 16 . 1 1 108 108 VAL H H 108 8.256 8.256 8.127 0.129 25150 10635 1 16 . 1 1 109 109 CYS N N 109 118.175 118.175 118.704 -0.529 25150 10636 1 16 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.164 -0.229 25150 10637 1 16 . 1 1 109 109 CYS C C 109 176.918 176.918 177.059 -0.141 25150 10638 1 16 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.675 1.215 25150 10639 1 16 . 1 1 109 109 CYS CB C 109 27.800 27.800 27.058 0.742 25150 10640 1 16 . 1 1 109 109 CYS H H 109 8.781 8.781 8.520 0.261 25150 10641 1 16 . 1 1 110 110 LEU N N 110 118.491 118.491 120.589 -2.098 25150 10642 1 16 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.951 0.159 25150 10643 1 16 . 1 1 110 110 LEU C C 110 180.150 180.150 178.963 1.187 25150 10644 1 16 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.153 0.327 25150 10645 1 16 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.394 -0.384 25150 10646 1 16 . 1 1 110 110 LEU H H 110 8.543 8.543 8.734 -0.191 25150 10647 1 16 . 1 1 111 111 SER N N 111 117.917 117.917 116.356 1.561 25150 10648 1 16 . 1 1 111 111 SER C C 111 177.009 177.009 176.654 0.355 25150 10649 1 16 . 1 1 111 111 SER CA C 111 63.050 63.050 62.606 0.444 25150 10650 1 16 . 1 1 111 111 SER CB C 111 62.980 62.980 62.786 0.194 25150 10651 1 16 . 1 1 111 111 SER H H 111 8.181 8.181 7.954 0.227 25150 10652 1 16 . 1 1 112 112 ILE N N 112 124.764 124.764 123.224 1.540 25150 10653 1 16 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.589 0.084 25150 10654 1 16 . 1 1 112 112 ILE C C 112 177.441 177.441 177.762 -0.321 25150 10655 1 16 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.599 -0.169 25150 10656 1 16 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.726 0.224 25150 10657 1 16 . 1 1 112 112 ILE H H 112 8.249 8.249 8.104 0.145 25150 10658 1 16 . 1 1 113 113 ILE N N 113 121.123 121.123 120.951 0.172 25150 10659 1 16 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.497 0.099 25150 10660 1 16 . 1 1 113 113 ILE C C 113 179.525 179.525 178.159 1.366 25150 10661 1 16 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.981 0.279 25150 10662 1 16 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.585 1.195 25150 10663 1 16 . 1 1 113 113 ILE H H 113 8.415 8.415 8.454 -0.039 25150 10664 1 16 . 1 1 114 114 SER N N 114 115.247 115.247 115.511 -0.264 25150 10665 1 16 . 1 1 114 114 SER HA H 114 4.300 4.300 4.163 0.137 25150 10666 1 16 . 1 1 114 114 SER C C 114 176.915 176.915 176.511 0.404 25150 10667 1 16 . 1 1 114 114 SER CA C 114 61.510 61.510 61.994 -0.484 25150 10668 1 16 . 1 1 114 114 SER CB C 114 62.990 62.990 63.041 -0.051 25150 10669 1 16 . 1 1 114 114 SER H H 114 8.241 8.241 8.212 0.029 25150 10670 1 16 . 1 1 115 115 MET N N 115 122.921 122.921 123.202 -0.281 25150 10671 1 16 . 1 1 115 115 MET C C 115 179.552 179.552 178.530 1.022 25150 10672 1 16 . 1 1 115 115 MET CA C 115 59.030 59.030 59.047 -0.017 25150 10673 1 16 . 1 1 115 115 MET CB C 115 33.040 33.040 32.441 0.599 25150 10674 1 16 . 1 1 115 115 MET H H 115 8.216 8.216 8.155 0.061 25150 10675 1 16 . 1 1 116 116 LEU N N 116 120.553 120.553 119.355 1.198 25150 10676 1 16 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.837 0.240 25150 10677 1 16 . 1 1 116 116 LEU C C 116 179.264 179.264 180.016 -0.752 25150 10678 1 16 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.567 1.203 25150 10679 1 16 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.415 -0.785 25150 10680 1 16 . 1 1 116 116 LEU H H 116 7.981 7.981 8.418 -0.437 25150 10681 1 16 . 1 1 117 117 SER N N 117 114.100 114.100 114.434 -0.334 25150 10682 1 16 . 1 1 117 117 SER HA H 117 4.342 4.342 4.396 -0.054 25150 10683 1 16 . 1 1 117 117 SER C C 117 175.042 175.042 176.530 -1.488 25150 10684 1 16 . 1 1 117 117 SER CA C 117 61.700 61.700 61.139 0.561 25150 10685 1 16 . 1 1 117 117 SER CB C 117 63.120 63.120 63.239 -0.119 25150 10686 1 16 . 1 1 117 117 SER H H 117 8.467 8.467 8.433 0.034 25150 10687 1 16 . 1 1 118 118 SER N N 118 113.628 113.628 116.936 -3.308 25150 10688 1 16 . 1 1 118 118 SER HA H 118 4.485 4.485 4.361 0.124 25150 10689 1 16 . 1 1 118 118 SER C C 118 174.142 174.142 175.268 -1.126 25150 10690 1 16 . 1 1 118 118 SER CA C 118 59.000 59.000 58.800 0.200 25150 10691 1 16 . 1 1 118 118 SER CB C 118 64.040 64.040 62.937 1.103 25150 10692 1 16 . 1 1 118 118 SER H H 118 8.037 8.037 7.887 0.150 25150 10693 1 16 . 1 1 119 119 CYS N N 119 122.293 122.293 123.743 -1.450 25150 10694 1 16 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.516 -1.326 25150 10695 1 16 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.248 0.022 25150 10696 1 16 . 1 1 119 119 CYS H H 119 7.250 7.250 7.744 -0.494 25150 10697 1 16 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.129 0.411 25150 10698 1 16 . 1 1 120 120 LYS C C 120 176.345 176.345 175.901 0.444 25150 10699 1 16 . 1 1 120 120 LYS CA C 120 65.050 65.050 58.154 6.896 25150 10700 1 16 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.952 0.598 25150 10701 1 16 . 1 1 121 121 GLU N N 121 120.936 120.936 114.279 6.657 25150 10702 1 16 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.339 -0.110 25150 10703 1 16 . 1 1 121 121 GLU C C 121 174.053 174.053 174.905 -0.852 25150 10704 1 16 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.704 0.486 25150 10705 1 16 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.071 1.619 25150 10706 1 16 . 1 1 121 121 GLU H H 121 7.700 7.700 7.736 -0.036 25150 10707 1 16 . 1 1 122 122 LYS N N 122 127.472 127.472 120.006 7.466 25150 10708 1 16 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.151 -0.289 25150 10709 1 16 . 1 1 122 122 LYS C C 122 174.440 174.440 176.621 -2.181 25150 10710 1 16 . 1 1 122 122 LYS CA C 122 58.280 58.280 57.058 1.222 25150 10711 1 16 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.548 -0.138 25150 10712 1 16 . 1 1 122 122 LYS H H 122 8.890 8.890 8.505 0.385 25150 10713 1 16 . 1 1 123 123 ARG N N 123 123.268 123.268 120.295 2.973 25150 10714 1 16 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.263 0.007 25150 10715 1 16 . 1 1 123 123 ARG C C 123 172.653 172.653 175.726 -3.073 25150 10716 1 16 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.951 -1.371 25150 10717 1 16 . 1 1 123 123 ARG CB C 123 32.230 32.230 30.815 1.415 25150 10718 1 16 . 1 1 123 123 ARG H H 123 6.841 6.841 7.791 -0.950 25150 10719 1 16 . 1 1 124 124 ARG N N 124 116.787 116.787 122.302 -5.515 25150 10720 1 16 . 1 1 124 124 ARG CA C 124 54.710 54.710 53.277 1.433 25150 10721 1 16 . 1 1 124 124 ARG CB C 124 29.080 29.080 30.130 -1.050 25150 10722 1 16 . 1 1 124 124 ARG H H 124 8.044 8.044 8.275 -0.231 25150 10723 1 16 . 1 1 126 126 PRO CA C 126 64.800 64.800 65.475 -0.675 25150 10724 1 16 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.701 0.079 25150 10725 1 16 . 1 1 127 127 ASP N N 127 115.165 115.165 115.147 0.018 25150 10726 1 16 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.430 0.694 25150 10727 1 16 . 1 1 127 127 ASP C C 127 172.871 172.871 178.183 -5.312 25150 10728 1 16 . 1 1 127 127 ASP CA C 127 52.670 52.670 56.789 -4.119 25150 10729 1 16 . 1 1 127 127 ASP CB C 127 39.140 39.140 39.775 -0.635 25150 10730 1 16 . 1 1 127 127 ASP H H 127 8.711 8.711 8.641 0.070 25150 10731 1 16 . 1 1 128 128 ASN N N 128 127.858 127.858 117.489 10.369 25150 10732 1 16 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.613 0.867 25150 10733 1 16 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.732 -0.172 25150 10734 1 16 . 1 1 128 128 ASN H H 128 8.502 8.502 7.921 0.581 25150 10735 1 16 . 1 1 129 129 SER C C 129 176.346 176.346 176.113 0.233 25150 10736 1 16 . 1 1 129 129 SER CA C 129 62.330 62.330 61.336 0.994 25150 10737 1 16 . 1 1 130 130 PHE N N 130 121.897 121.897 121.912 -0.015 25150 10738 1 16 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.519 -0.399 25150 10739 1 16 . 1 1 130 130 PHE C C 130 177.740 177.740 177.518 0.222 25150 10740 1 16 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.293 -0.333 25150 10741 1 16 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.111 0.648 25150 10742 1 16 . 1 1 130 130 PHE H H 130 8.022 8.022 7.763 0.259 25150 10743 1 16 . 1 1 131 131 TYR N N 131 122.173 122.173 120.059 2.114 25150 10744 1 16 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.336 -0.590 25150 10745 1 16 . 1 1 131 131 TYR C C 131 178.140 178.140 178.300 -0.160 25150 10746 1 16 . 1 1 131 131 TYR CA C 131 62.290 62.290 59.240 3.050 25150 10747 1 16 . 1 1 131 131 TYR CB C 131 39.540 39.540 37.015 2.525 25150 10748 1 16 . 1 1 131 131 TYR H H 131 8.871 8.871 7.918 0.953 25150 10749 1 16 . 1 1 132 132 VAL N N 132 116.993 116.993 119.478 -2.485 25150 10750 1 16 . 1 1 132 132 VAL C C 132 178.082 178.082 177.897 0.185 25150 10751 1 16 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.938 -0.608 25150 10752 1 16 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.352 0.098 25150 10753 1 16 . 1 1 132 132 VAL H H 132 8.551 8.551 8.554 -0.003 25150 10754 1 16 . 1 1 133 133 ARG N N 133 118.860 118.860 118.957 -0.097 25150 10755 1 16 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.578 -0.598 25150 10756 1 16 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.114 0.136 25150 10757 1 16 . 1 1 133 133 ARG H H 133 7.545 7.545 7.695 -0.150 25150 10758 1 16 . 1 1 134 134 THR CA C 134 62.280 62.280 66.790 -4.510 25150 10759 1 16 . 1 1 134 134 THR CB C 134 69.790 69.790 68.709 1.081 25150 10760 1 16 . 1 1 135 135 CYS N N 135 125.959 125.959 120.771 5.188 25150 10761 1 16 . 1 1 135 135 CYS CA C 135 59.760 59.760 63.550 -3.790 25150 10762 1 16 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.355 11.655 25150 10763 1 16 . 1 1 135 135 CYS H H 135 7.881 7.881 8.449 -0.568 25150 10764 1 16 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.612 -0.602 25150 10765 1 16 . 1 1 136 136 ASN C C 136 177.768 177.768 175.736 2.032 25150 10766 1 16 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.796 -0.636 25150 10767 1 16 . 1 1 136 136 ASN CB C 136 38.470 38.470 37.979 0.491 25150 10768 1 16 . 1 1 137 137 LYS N N 137 119.224 119.224 117.691 1.533 25150 10769 1 16 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.455 -0.259 25150 10770 1 16 . 1 1 137 137 LYS C C 137 176.185 176.185 175.133 1.052 25150 10771 1 16 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.582 1.398 25150 10772 1 16 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.776 0.093 25150 10773 1 16 . 1 1 137 137 LYS H H 137 7.678 7.678 7.641 0.037 25150 10774 1 16 . 1 1 138 138 ASN N N 138 117.174 117.174 120.913 -3.739 25150 10775 1 16 . 1 1 138 138 ASN CA C 138 51.530 51.530 49.631 1.899 25150 10776 1 16 . 1 1 138 138 ASN CB C 138 38.940 38.940 39.045 -0.105 25150 10777 1 16 . 1 1 138 138 ASN H H 138 7.969 7.969 7.812 0.157 25150 10778 1 16 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.510 -0.112 25150 10779 1 16 . 1 1 139 139 PRO C C 139 177.335 177.335 177.482 -0.147 25150 10780 1 16 . 1 1 139 139 PRO CA C 139 63.850 63.850 64.277 -0.427 25150 10781 1 16 . 1 1 139 139 PRO CB C 139 32.110 32.110 31.997 0.113 25150 10782 1 16 . 1 1 140 140 LYS N N 140 118.218 118.218 117.462 0.756 25150 10783 1 16 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.411 28.239 25150 10784 1 16 . 1 1 140 140 LYS C C 140 176.564 176.564 176.008 0.556 25150 10785 1 16 . 1 1 140 140 LYS CA C 140 56.990 56.990 55.722 1.268 25150 10786 1 16 . 1 1 140 140 LYS H H 140 8.108 8.108 8.439 -0.331 25150 10787 1 16 . 1 1 141 141 LYS N N 141 119.276 119.276 121.661 -2.385 25150 10788 1 16 . 1 1 141 141 LYS C C 141 177.924 177.924 176.220 1.704 25150 10789 1 16 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.838 -0.738 25150 10790 1 16 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.667 -2.887 25150 10791 1 16 . 1 1 141 141 LYS H H 141 8.135 8.135 7.466 0.669 25150 10792 1 16 . 1 1 142 142 THR N N 142 115.380 115.380 119.806 -4.426 25150 10793 1 16 . 1 1 142 142 THR CA C 142 61.850 61.850 62.926 -1.076 25150 10794 1 16 . 1 1 142 142 THR CB C 142 69.660 69.660 69.051 0.609 25150 10795 1 16 . 1 1 142 142 THR H H 142 8.030 8.030 8.090 -0.060 25150 10796 1 16 . 1 1 143 143 LYS C C 143 178.955 178.955 175.462 3.493 25150 10797 1 16 . 1 1 144 144 TRP N N 144 120.470 120.470 123.682 -3.212 25150 10798 1 16 . 1 1 144 144 TRP C C 144 176.557 176.557 173.552 3.005 25150 10799 1 16 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.804 1.066 25150 10800 1 16 . 1 1 144 144 TRP CB C 144 33.000 33.000 31.150 1.850 25150 10801 1 16 . 1 1 144 144 TRP H H 144 8.094 8.094 7.407 0.687 25150 10802 1 16 . 1 1 145 145 TRP N N 145 120.330 120.330 125.173 -4.843 25150 10803 1 16 . 1 1 145 145 TRP CA C 145 57.120 57.120 55.352 1.768 25150 10804 1 16 . 1 1 145 145 TRP CB C 145 32.850 32.850 31.392 1.458 25150 10805 1 16 . 1 1 145 145 TRP H H 145 8.488 8.488 7.991 0.497 25150 10806 1 16 . 1 1 146 146 TYR C C 146 174.706 174.706 175.529 -0.823 25150 10807 1 16 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.992 -0.562 25150 10808 1 16 . 1 1 146 146 TYR CB C 146 38.740 38.740 36.846 1.893 25150 10809 1 16 . 1 1 147 147 HIS N N 147 121.604 121.604 122.261 -0.657 25150 10810 1 16 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.580 -0.394 25150 10811 1 16 . 1 1 147 147 HIS C C 147 176.874 176.874 175.447 1.427 25150 10812 1 16 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.990 0.250 25150 10813 1 16 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.457 0.743 25150 10814 1 16 . 1 1 147 147 HIS H H 147 7.886 7.886 7.575 0.311 25150 10815 1 16 . 1 1 148 148 ASP N N 148 122.629 122.629 122.104 0.525 25150 10816 1 16 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.745 -0.201 25150 10817 1 16 . 1 1 148 148 ASP C C 148 175.661 175.661 176.307 -0.646 25150 10818 1 16 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.208 -0.028 25150 10819 1 16 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.428 0.252 25150 10820 1 16 . 1 1 148 148 ASP H H 148 8.109 8.109 8.499 -0.390 25150 10821 1 16 . 1 1 149 149 ASP N N 149 121.321 121.321 122.711 -1.390 25150 10822 1 16 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.772 -0.118 25150 10823 1 16 . 1 1 149 149 ASP C C 149 176.551 176.551 177.153 -0.602 25150 10824 1 16 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.403 0.207 25150 10825 1 16 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.873 -0.513 25150 10826 1 16 . 1 1 149 149 ASP H H 149 8.395 8.395 8.449 -0.054 25150 10827 1 16 . 1 1 150 150 THR N N 150 113.450 113.450 117.590 -4.140 25150 10828 1 16 . 1 1 150 150 THR HA H 150 4.296 4.296 4.301 -0.005 25150 10829 1 16 . 1 1 150 150 THR C C 150 173.994 173.994 174.333 -0.339 25150 10830 1 16 . 1 1 150 150 THR CA C 150 62.310 62.310 63.828 -1.518 25150 10831 1 16 . 1 1 150 150 THR CB C 150 69.870 69.870 69.277 0.593 25150 10832 1 16 . 1 1 150 150 THR H H 150 8.259 8.259 8.384 -0.125 25150 10833 1 17 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.305 -0.011 25150 10834 1 17 . 1 1 6 6 LYS C C 6 176.970 176.970 179.253 -2.283 25150 10835 1 17 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.715 -1.345 25150 10836 1 17 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.286 0.194 25150 10837 1 17 . 1 1 7 7 ARG N N 7 119.704 119.704 119.566 0.138 25150 10838 1 17 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.055 0.143 25150 10839 1 17 . 1 1 7 7 ARG C C 7 178.270 178.270 178.766 -0.496 25150 10840 1 17 . 1 1 7 7 ARG CA C 7 59.030 59.030 59.278 -0.248 25150 10841 1 17 . 1 1 7 7 ARG CB C 7 28.560 28.560 30.116 -1.556 25150 10842 1 17 . 1 1 7 7 ARG H H 7 8.599 8.599 8.019 0.580 25150 10843 1 17 . 1 1 8 8 LEU N N 8 119.704 119.704 122.045 -2.341 25150 10844 1 17 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.158 -0.068 25150 10845 1 17 . 1 1 8 8 LEU C C 8 178.980 178.980 178.659 0.321 25150 10846 1 17 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.984 0.306 25150 10847 1 17 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.787 0.273 25150 10848 1 17 . 1 1 8 8 LEU H H 8 8.599 8.599 8.208 0.391 25150 10849 1 17 . 1 1 9 9 GLN N N 9 117.512 117.512 118.154 -0.642 25150 10850 1 17 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.936 0.101 25150 10851 1 17 . 1 1 9 9 GLN C C 9 178.610 178.610 178.591 0.019 25150 10852 1 17 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.547 -0.236 25150 10853 1 17 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.500 -0.020 25150 10854 1 17 . 1 1 9 9 GLN H H 9 8.066 8.066 8.387 -0.321 25150 10855 1 17 . 1 1 10 10 LYS N N 10 119.556 119.556 119.575 -0.019 25150 10856 1 17 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.949 0.131 25150 10857 1 17 . 1 1 10 10 LYS C C 10 180.040 180.040 178.784 1.256 25150 10858 1 17 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.764 -0.084 25150 10859 1 17 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.225 0.235 25150 10860 1 17 . 1 1 10 10 LYS H H 10 7.678 7.678 8.116 -0.438 25150 10861 1 17 . 1 1 11 11 GLU N N 11 120.347 120.347 120.601 -0.254 25150 10862 1 17 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.086 0.090 25150 10863 1 17 . 1 1 11 11 GLU C C 11 178.770 178.770 178.857 -0.087 25150 10864 1 17 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.501 1.539 25150 10865 1 17 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.818 0.842 25150 10866 1 17 . 1 1 11 11 GLU H H 11 8.533 8.533 8.008 0.525 25150 10867 1 17 . 1 1 12 12 LEU N N 12 123.285 123.285 121.384 1.901 25150 10868 1 17 . 1 1 12 12 LEU C C 12 178.570 178.570 178.500 0.070 25150 10869 1 17 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.790 0.330 25150 10870 1 17 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.407 -0.327 25150 10871 1 17 . 1 1 12 12 LEU H H 12 8.685 8.685 8.228 0.457 25150 10872 1 17 . 1 1 13 13 LEU N N 13 118.881 118.881 118.258 0.623 25150 10873 1 17 . 1 1 13 13 LEU HA H 13 3.997 3.997 3.914 0.083 25150 10874 1 17 . 1 1 13 13 LEU C C 13 179.260 179.260 179.149 0.111 25150 10875 1 17 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.785 0.115 25150 10876 1 17 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.285 0.605 25150 10877 1 17 . 1 1 13 13 LEU H H 13 7.588 7.588 7.969 -0.381 25150 10878 1 17 . 1 1 14 14 ALA N N 14 120.667 120.667 122.480 -1.813 25150 10879 1 17 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.009 0.181 25150 10880 1 17 . 1 1 14 14 ALA C C 14 176.270 176.270 179.765 -3.495 25150 10881 1 17 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.197 -0.007 25150 10882 1 17 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.246 -0.216 25150 10883 1 17 . 1 1 14 14 ALA H H 14 7.617 7.617 8.240 -0.623 25150 10884 1 17 . 1 1 15 15 LEU N N 15 119.965 119.965 117.427 2.538 25150 10885 1 17 . 1 1 15 15 LEU CA C 15 57.450 57.450 56.795 0.655 25150 10886 1 17 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.810 0.450 25150 10887 1 17 . 1 1 15 15 LEU H H 15 7.726 7.726 7.962 -0.236 25150 10888 1 17 . 1 1 16 16 GLN N N 16 115.381 115.381 116.919 -1.538 25150 10889 1 17 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.046 -0.068 25150 10890 1 17 . 1 1 16 16 GLN C C 16 177.950 177.950 177.722 0.228 25150 10891 1 17 . 1 1 16 16 GLN CA C 16 58.460 58.460 57.994 0.466 25150 10892 1 17 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.935 0.855 25150 10893 1 17 . 1 1 16 16 GLN H H 16 8.028 8.028 8.086 -0.058 25150 10894 1 17 . 1 1 17 17 ASN N N 17 114.975 114.975 116.759 -1.784 25150 10895 1 17 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.624 0.006 25150 10896 1 17 . 1 1 17 17 ASN C C 17 175.303 175.303 175.030 0.273 25150 10897 1 17 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.983 -0.103 25150 10898 1 17 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.145 0.705 25150 10899 1 17 . 1 1 17 17 ASN H H 17 8.136 8.136 7.968 0.168 25150 10900 1 17 . 1 1 18 18 ASP N N 18 119.698 119.698 118.219 1.479 25150 10901 1 17 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.572 0.888 25150 10902 1 17 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.288 -0.778 25150 10903 1 17 . 1 1 18 18 ASP H H 18 8.218 8.218 7.967 0.251 25150 10904 1 17 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.289 0.026 25150 10905 1 17 . 1 1 21 21 PRO C C 21 177.867 177.867 177.663 0.204 25150 10906 1 17 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.417 -0.597 25150 10907 1 17 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.467 0.103 25150 10908 1 17 . 1 1 22 22 GLY N N 22 111.293 111.293 110.683 0.610 25150 10909 1 17 . 1 1 22 22 GLY C C 22 174.342 174.342 174.405 -0.063 25150 10910 1 17 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.215 0.775 25150 10911 1 17 . 1 1 22 22 GLY H H 22 8.506 8.506 8.652 -0.146 25150 10912 1 17 . 1 1 23 23 MET N N 23 118.966 118.966 119.790 -0.824 25150 10913 1 17 . 1 1 23 23 MET HA H 23 5.699 5.699 5.635 0.064 25150 10914 1 17 . 1 1 23 23 MET C C 23 175.386 175.386 175.991 -0.605 25150 10915 1 17 . 1 1 23 23 MET CA C 23 55.270 55.270 53.327 1.943 25150 10916 1 17 . 1 1 23 23 MET CB C 23 35.890 35.890 34.550 1.340 25150 10917 1 17 . 1 1 23 23 MET H H 23 8.017 8.017 7.956 0.061 25150 10918 1 17 . 1 1 24 24 THR N N 24 112.647 112.647 119.219 -6.572 25150 10919 1 17 . 1 1 24 24 THR HA H 24 4.596 4.596 4.600 -0.004 25150 10920 1 17 . 1 1 24 24 THR C C 24 173.407 173.407 173.276 0.131 25150 10921 1 17 . 1 1 24 24 THR CA C 24 60.850 60.850 61.783 -0.933 25150 10922 1 17 . 1 1 24 24 THR CB C 24 72.360 72.360 70.559 1.801 25150 10923 1 17 . 1 1 24 24 THR H H 24 8.565 8.565 8.951 -0.386 25150 10924 1 17 . 1 1 25 25 LEU N N 25 126.920 126.920 127.513 -0.593 25150 10925 1 17 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.668 -0.372 25150 10926 1 17 . 1 1 25 25 LEU C C 25 175.624 175.624 175.549 0.075 25150 10927 1 17 . 1 1 25 25 LEU CA C 25 56.170 56.170 53.933 2.237 25150 10928 1 17 . 1 1 25 25 LEU CB C 25 42.710 42.710 44.715 -2.006 25150 10929 1 17 . 1 1 25 25 LEU H H 25 9.189 9.189 8.490 0.699 25150 10930 1 17 . 1 1 26 26 ASN N N 26 127.108 127.108 118.007 9.101 25150 10931 1 17 . 1 1 26 26 ASN C C 26 173.783 173.783 172.526 1.257 25150 10932 1 17 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.308 1.792 25150 10933 1 17 . 1 1 26 26 ASN CB C 26 40.370 40.370 42.032 -1.662 25150 10934 1 17 . 1 1 26 26 ASN H H 26 9.000 9.000 8.002 0.998 25150 10935 1 17 . 1 1 27 27 GLU N N 27 108.990 108.990 120.440 -11.450 25150 10936 1 17 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.820 0.790 25150 10937 1 17 . 1 1 27 27 GLU H H 27 7.631 7.631 8.531 -0.900 25150 10938 1 17 . 1 1 30 30 VAL C C 30 177.011 177.011 177.389 -0.378 25150 10939 1 17 . 1 1 30 30 VAL CA C 30 55.230 55.230 65.407 -10.177 25150 10940 1 17 . 1 1 30 30 VAL CB C 30 30.860 30.860 31.642 -0.782 25150 10941 1 17 . 1 1 31 31 GLN N N 31 125.960 125.960 119.179 6.781 25150 10942 1 17 . 1 1 31 31 GLN CA C 31 58.430 58.430 56.961 1.469 25150 10943 1 17 . 1 1 31 31 GLN CB C 31 29.130 29.130 29.326 -0.196 25150 10944 1 17 . 1 1 31 31 GLN H H 31 7.880 7.880 7.905 -0.025 25150 10945 1 17 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.136 0.524 25150 10946 1 17 . 1 1 34 34 ILE C C 34 178.642 178.642 176.003 2.639 25150 10947 1 17 . 1 1 34 34 ILE CA C 34 54.970 54.970 62.622 -7.652 25150 10948 1 17 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.273 3.727 25150 10949 1 17 . 1 1 35 35 THR N N 35 110.980 110.980 111.077 -0.097 25150 10950 1 17 . 1 1 35 35 THR CA C 35 61.070 61.070 63.439 -2.369 25150 10951 1 17 . 1 1 35 35 THR CB C 35 69.090 69.090 68.948 0.142 25150 10952 1 17 . 1 1 35 35 THR H H 35 7.825 7.825 7.874 -0.049 25150 10953 1 17 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.151 0.473 25150 10954 1 17 . 1 1 36 36 GLN C C 36 174.178 174.178 174.221 -0.043 25150 10955 1 17 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.316 0.774 25150 10956 1 17 . 1 1 36 36 GLN CB C 36 32.290 32.290 30.821 1.469 25150 10957 1 17 . 1 1 37 37 TRP N N 37 123.942 123.942 126.324 -2.382 25150 10958 1 17 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.294 0.282 25150 10959 1 17 . 1 1 37 37 TRP C C 37 174.959 174.959 176.060 -1.101 25150 10960 1 17 . 1 1 37 37 TRP CA C 37 53.630 53.630 53.887 -0.257 25150 10961 1 17 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.516 0.434 25150 10962 1 17 . 1 1 37 37 TRP H H 37 9.242 9.242 9.242 0.000 25150 10963 1 17 . 1 1 38 38 ILE N N 38 121.559 121.559 121.205 0.354 25150 10964 1 17 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.957 0.322 25150 10965 1 17 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.772 -1.342 25150 10966 1 17 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.862 -0.622 25150 10967 1 17 . 1 1 38 38 ILE H H 38 8.778 8.778 8.918 -0.140 25150 10968 1 17 . 1 1 39 39 VAL N N 39 128.719 128.719 128.282 0.437 25150 10969 1 17 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.958 -0.377 25150 10970 1 17 . 1 1 39 39 VAL C C 39 175.175 175.175 174.920 0.255 25150 10971 1 17 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.321 0.930 25150 10972 1 17 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.951 0.899 25150 10973 1 17 . 1 1 39 39 VAL H H 39 9.533 9.533 9.331 0.202 25150 10974 1 17 . 1 1 40 40 ASP N N 40 128.451 128.451 127.481 0.970 25150 10975 1 17 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.333 -0.115 25150 10976 1 17 . 1 1 40 40 ASP C C 40 175.157 175.157 174.925 0.232 25150 10977 1 17 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.520 1.790 25150 10978 1 17 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.274 -0.774 25150 10979 1 17 . 1 1 40 40 ASP H H 40 9.165 9.165 8.838 0.327 25150 10980 1 17 . 1 1 41 41 MET N N 41 120.544 120.544 121.252 -0.708 25150 10981 1 17 . 1 1 41 41 MET HA H 41 5.467 5.467 5.500 -0.033 25150 10982 1 17 . 1 1 41 41 MET C C 41 173.590 173.590 174.045 -0.455 25150 10983 1 17 . 1 1 41 41 MET CA C 41 54.610 54.610 54.511 0.099 25150 10984 1 17 . 1 1 41 41 MET CB C 41 37.490 37.490 37.878 -0.388 25150 10985 1 17 . 1 1 41 41 MET H H 41 8.756 8.756 9.022 -0.266 25150 10986 1 17 . 1 1 42 42 GLU N N 42 125.740 125.740 127.374 -1.634 25150 10987 1 17 . 1 1 42 42 GLU HA H 42 5.010 5.010 4.930 0.080 25150 10988 1 17 . 1 1 42 42 GLU C C 42 177.323 177.323 177.030 0.293 25150 10989 1 17 . 1 1 42 42 GLU CA C 42 54.480 54.480 55.085 -0.605 25150 10990 1 17 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.139 0.121 25150 10991 1 17 . 1 1 42 42 GLU H H 42 8.706 8.706 8.525 0.181 25150 10992 1 17 . 1 1 43 43 GLY N N 43 111.314 111.314 113.762 -2.448 25150 10993 1 17 . 1 1 43 43 GLY C C 43 174.121 174.121 174.223 -0.102 25150 10994 1 17 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.572 -0.182 25150 10995 1 17 . 1 1 43 43 GLY H H 43 8.917 8.917 8.805 0.112 25150 10996 1 17 . 1 1 44 44 ALA N N 44 128.665 128.665 128.742 -0.077 25150 10997 1 17 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.316 0.744 25150 10998 1 17 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.858 -0.388 25150 10999 1 17 . 1 1 44 44 ALA H H 44 8.918 8.918 8.471 0.447 25150 11000 1 17 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.280 0.020 25150 11001 1 17 . 1 1 45 45 PRO C C 45 177.598 177.598 177.498 0.100 25150 11002 1 17 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.678 -0.269 25150 11003 1 17 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.475 0.315 25150 11004 1 17 . 1 1 46 46 GLY N N 46 111.319 111.319 113.283 -1.964 25150 11005 1 17 . 1 1 46 46 GLY C C 46 174.290 174.290 174.682 -0.392 25150 11006 1 17 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.252 0.658 25150 11007 1 17 . 1 1 46 46 GLY H H 46 9.449 9.449 9.389 0.060 25150 11008 1 17 . 1 1 47 47 THR N N 47 107.981 107.981 111.795 -3.814 25150 11009 1 17 . 1 1 47 47 THR HA H 47 4.801 4.801 4.652 0.149 25150 11010 1 17 . 1 1 47 47 THR C C 47 176.158 176.158 176.122 0.036 25150 11011 1 17 . 1 1 47 47 THR CA C 47 60.380 60.380 59.733 0.647 25150 11012 1 17 . 1 1 47 47 THR CB C 47 73.420 73.420 71.370 2.050 25150 11013 1 17 . 1 1 47 47 THR H H 47 7.426 7.426 7.483 -0.057 25150 11014 1 17 . 1 1 48 48 LEU N N 48 119.132 119.132 119.921 -0.789 25150 11015 1 17 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.088 -0.031 25150 11016 1 17 . 1 1 48 48 LEU C C 48 175.907 175.907 177.134 -1.227 25150 11017 1 17 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.236 0.255 25150 11018 1 17 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.557 0.063 25150 11019 1 17 . 1 1 48 48 LEU H H 48 8.966 8.966 8.792 0.174 25150 11020 1 17 . 1 1 49 49 TYR N N 49 113.649 113.649 114.391 -0.742 25150 11021 1 17 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.811 0.014 25150 11022 1 17 . 1 1 49 49 TYR C C 49 174.634 174.634 175.163 -0.529 25150 11023 1 17 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.978 -0.868 25150 11024 1 17 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.303 -0.913 25150 11025 1 17 . 1 1 49 49 TYR H H 49 7.205 7.205 7.613 -0.408 25150 11026 1 17 . 1 1 50 50 GLU N N 50 122.006 122.006 121.686 0.320 25150 11027 1 17 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.039 -0.562 25150 11028 1 17 . 1 1 50 50 GLU C C 50 177.182 177.182 177.832 -0.650 25150 11029 1 17 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.179 -0.079 25150 11030 1 17 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.264 0.776 25150 11031 1 17 . 1 1 50 50 GLU H H 50 6.934 6.934 7.562 -0.628 25150 11032 1 17 . 1 1 51 51 GLY N N 51 115.165 115.165 116.024 -0.859 25150 11033 1 17 . 1 1 51 51 GLY C C 51 173.997 173.997 174.477 -0.480 25150 11034 1 17 . 1 1 51 51 GLY CA C 51 45.500 45.500 45.000 0.500 25150 11035 1 17 . 1 1 51 51 GLY H H 51 8.752 8.752 8.687 0.065 25150 11036 1 17 . 1 1 52 52 GLU N N 52 120.251 120.251 121.621 -1.370 25150 11037 1 17 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.342 -0.372 25150 11038 1 17 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.360 1.080 25150 11039 1 17 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.855 1.845 25150 11040 1 17 . 1 1 52 52 GLU H H 52 7.900 7.900 8.033 -0.133 25150 11041 1 17 . 1 1 53 53 LYS N N 53 120.435 120.435 122.279 -1.844 25150 11042 1 17 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.839 -0.153 25150 11043 1 17 . 1 1 53 53 LYS C C 53 175.285 175.285 175.194 0.091 25150 11044 1 17 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.351 0.029 25150 11045 1 17 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.975 0.085 25150 11046 1 17 . 1 1 53 53 LYS H H 53 8.046 8.046 8.157 -0.111 25150 11047 1 17 . 1 1 54 54 PHE N N 54 122.724 122.724 122.271 0.453 25150 11048 1 17 . 1 1 54 54 PHE HA H 54 5.520 5.520 5.007 0.513 25150 11049 1 17 . 1 1 54 54 PHE C C 54 175.151 175.151 174.780 0.371 25150 11050 1 17 . 1 1 54 54 PHE CA C 54 54.690 54.690 55.887 -1.197 25150 11051 1 17 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.946 0.654 25150 11052 1 17 . 1 1 54 54 PHE H H 54 9.082 9.082 8.724 0.358 25150 11053 1 17 . 1 1 55 55 GLN N N 55 121.971 121.971 119.891 2.080 25150 11054 1 17 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.436 -0.085 25150 11055 1 17 . 1 1 55 55 GLN C C 55 173.802 173.802 173.930 -0.128 25150 11056 1 17 . 1 1 55 55 GLN CA C 55 56.200 56.200 55.420 0.780 25150 11057 1 17 . 1 1 55 55 GLN CB C 55 34.320 34.320 33.150 1.170 25150 11058 1 17 . 1 1 55 55 GLN H H 55 10.001 10.001 9.063 0.938 25150 11059 1 17 . 1 1 56 56 LEU N N 56 124.898 124.898 124.779 0.119 25150 11060 1 17 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.174 -0.482 25150 11061 1 17 . 1 1 56 56 LEU C C 56 174.265 174.265 175.228 -0.963 25150 11062 1 17 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.933 -0.513 25150 11063 1 17 . 1 1 56 56 LEU CB C 56 46.690 46.690 46.285 0.405 25150 11064 1 17 . 1 1 56 56 LEU H H 56 9.573 9.573 9.208 0.365 25150 11065 1 17 . 1 1 57 57 LEU N N 57 124.234 124.234 120.312 3.922 25150 11066 1 17 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.271 -0.101 25150 11067 1 17 . 1 1 57 57 LEU C C 57 174.551 174.551 175.732 -1.181 25150 11068 1 17 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.642 0.028 25150 11069 1 17 . 1 1 57 57 LEU CB C 57 45.520 45.520 43.664 1.856 25150 11070 1 17 . 1 1 57 57 LEU H H 57 8.890 8.890 8.931 -0.041 25150 11071 1 17 . 1 1 58 58 PHE N N 58 124.003 124.003 123.133 0.870 25150 11072 1 17 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.840 -0.090 25150 11073 1 17 . 1 1 58 58 PHE C C 58 174.407 174.407 174.594 -0.187 25150 11074 1 17 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.124 -0.124 25150 11075 1 17 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.575 2.365 25150 11076 1 17 . 1 1 58 58 PHE H H 58 9.134 9.134 9.000 0.134 25150 11077 1 17 . 1 1 59 59 LYS N N 59 120.089 120.089 122.894 -2.805 25150 11078 1 17 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.145 -0.262 25150 11079 1 17 . 1 1 59 59 LYS C C 59 175.192 175.192 175.207 -0.015 25150 11080 1 17 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.723 0.097 25150 11081 1 17 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.718 0.812 25150 11082 1 17 . 1 1 59 59 LYS H H 59 8.732 8.732 8.644 0.088 25150 11083 1 17 . 1 1 60 60 PHE N N 60 123.988 123.988 121.417 2.571 25150 11084 1 17 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.573 -0.269 25150 11085 1 17 . 1 1 60 60 PHE C C 60 174.636 174.636 175.380 -0.744 25150 11086 1 17 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.465 0.785 25150 11087 1 17 . 1 1 60 60 PHE CB C 60 41.160 41.160 41.769 -0.609 25150 11088 1 17 . 1 1 60 60 PHE H H 60 8.649 8.649 8.613 0.036 25150 11089 1 17 . 1 1 61 61 SER N N 61 117.599 117.599 117.674 -0.075 25150 11090 1 17 . 1 1 61 61 SER C C 61 174.771 174.771 174.721 0.050 25150 11091 1 17 . 1 1 61 61 SER CA C 61 57.130 57.130 56.932 0.198 25150 11092 1 17 . 1 1 61 61 SER CB C 61 66.030 66.030 65.377 0.653 25150 11093 1 17 . 1 1 61 61 SER H H 61 8.066 8.066 8.397 -0.331 25150 11094 1 17 . 1 1 62 62 SER N N 62 119.994 119.994 113.399 6.595 25150 11095 1 17 . 1 1 62 62 SER CA C 62 61.650 61.650 59.911 1.739 25150 11096 1 17 . 1 1 62 62 SER H H 62 8.265 8.265 8.680 -0.415 25150 11097 1 17 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.494 -0.044 25150 11098 1 17 . 1 1 63 63 ARG C C 63 175.086 175.086 176.439 -1.353 25150 11099 1 17 . 1 1 63 63 ARG CA C 63 57.670 57.670 56.138 1.532 25150 11100 1 17 . 1 1 63 63 ARG CB C 63 30.050 30.050 31.778 -1.728 25150 11101 1 17 . 1 1 64 64 TYR N N 64 120.957 120.957 124.489 -3.532 25150 11102 1 17 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.518 1.162 25150 11103 1 17 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.530 -0.810 25150 11104 1 17 . 1 1 64 64 TYR H H 64 7.471 7.471 8.114 -0.643 25150 11105 1 17 . 1 1 65 65 PRO HA H 65 3.670 3.670 2.878 0.792 25150 11106 1 17 . 1 1 65 65 PRO C C 65 174.345 174.345 176.565 -2.220 25150 11107 1 17 . 1 1 65 65 PRO CA C 65 63.460 63.460 63.868 -0.408 25150 11108 1 17 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.724 1.646 25150 11109 1 17 . 1 1 66 66 PHE N N 66 126.070 126.070 119.570 6.500 25150 11110 1 17 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.235 0.008 25150 11111 1 17 . 1 1 66 66 PHE C C 66 175.867 175.867 175.277 0.590 25150 11112 1 17 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.865 0.215 25150 11113 1 17 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.477 -1.467 25150 11114 1 17 . 1 1 66 66 PHE H H 66 8.630 8.630 8.170 0.460 25150 11115 1 17 . 1 1 67 67 ASP N N 67 118.021 118.021 117.906 0.115 25150 11116 1 17 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.697 -0.738 25150 11117 1 17 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.147 -47.517 25150 11118 1 17 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.358 -7.518 25150 11119 1 17 . 1 1 67 67 ASP H H 67 7.126 7.126 8.406 -1.280 25150 11120 1 17 . 1 1 68 68 SER N N 68 120.730 120.730 115.916 4.814 25150 11121 1 17 . 1 1 68 68 SER CA C 68 55.750 55.750 55.724 0.026 25150 11122 1 17 . 1 1 68 68 SER CB C 68 61.900 61.900 62.739 -0.839 25150 11123 1 17 . 1 1 68 68 SER H H 68 8.091 8.091 8.018 0.073 25150 11124 1 17 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.321 0.035 25150 11125 1 17 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.303 -0.223 25150 11126 1 17 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.479 0.231 25150 11127 1 17 . 1 1 70 70 GLN N N 70 119.493 119.493 118.776 0.717 25150 11128 1 17 . 1 1 70 70 GLN CA C 70 55.070 55.070 54.822 0.248 25150 11129 1 17 . 1 1 70 70 GLN CB C 70 30.490 30.490 31.472 -0.982 25150 11130 1 17 . 1 1 70 70 GLN H H 70 8.049 8.049 8.049 -0.000 25150 11131 1 17 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.683 -0.283 25150 11132 1 17 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.261 -0.451 25150 11133 1 17 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.419 -0.579 25150 11134 1 17 . 1 1 72 72 MET N N 72 120.767 120.767 121.622 -0.855 25150 11135 1 17 . 1 1 72 72 MET HA H 72 4.731 4.731 4.849 -0.118 25150 11136 1 17 . 1 1 72 72 MET C C 72 174.779 174.779 174.752 0.027 25150 11137 1 17 . 1 1 72 72 MET CA C 72 54.390 54.390 53.794 0.596 25150 11138 1 17 . 1 1 72 72 MET CB C 72 36.140 36.140 37.600 -1.460 25150 11139 1 17 . 1 1 72 72 MET H H 72 8.245 8.245 8.243 0.002 25150 11140 1 17 . 1 1 73 73 PHE N N 73 120.458 120.458 120.390 0.068 25150 11141 1 17 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.072 0.142 25150 11142 1 17 . 1 1 73 73 PHE C C 73 175.404 175.404 176.252 -0.848 25150 11143 1 17 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.594 0.986 25150 11144 1 17 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.349 0.271 25150 11145 1 17 . 1 1 73 73 PHE H H 73 9.193 9.193 8.751 0.442 25150 11146 1 17 . 1 1 74 74 THR N N 74 113.842 113.842 115.187 -1.345 25150 11147 1 17 . 1 1 74 74 THR HA H 74 4.777 4.777 4.693 0.084 25150 11148 1 17 . 1 1 74 74 THR C C 74 173.551 173.551 173.581 -0.030 25150 11149 1 17 . 1 1 74 74 THR CA C 74 59.580 59.580 60.835 -1.255 25150 11150 1 17 . 1 1 74 74 THR CB C 74 71.300 71.300 71.218 0.082 25150 11151 1 17 . 1 1 74 74 THR H H 74 8.894 8.894 8.921 -0.027 25150 11152 1 17 . 1 1 75 75 GLY N N 75 109.259 109.259 112.030 -2.771 25150 11153 1 17 . 1 1 75 75 GLY C C 75 173.980 173.980 174.307 -0.327 25150 11154 1 17 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.694 0.016 25150 11155 1 17 . 1 1 75 75 GLY H H 75 8.058 8.058 7.858 0.200 25150 11156 1 17 . 1 1 76 76 GLU N N 76 116.661 116.661 120.022 -3.361 25150 11157 1 17 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.075 0.066 25150 11158 1 17 . 1 1 76 76 GLU C C 76 176.624 176.624 176.973 -0.349 25150 11159 1 17 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.647 0.393 25150 11160 1 17 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.899 1.011 25150 11161 1 17 . 1 1 76 76 GLU H H 76 8.356 8.356 8.379 -0.023 25150 11162 1 17 . 1 1 77 77 ASN N N 77 118.469 118.469 118.950 -0.481 25150 11163 1 17 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.801 0.309 25150 11164 1 17 . 1 1 77 77 ASN C C 77 176.525 176.525 173.799 2.726 25150 11165 1 17 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.578 -0.338 25150 11166 1 17 . 1 1 77 77 ASN CB C 77 39.710 39.710 37.744 1.966 25150 11167 1 17 . 1 1 77 77 ASN H H 77 8.614 8.614 8.265 0.349 25150 11168 1 17 . 1 1 78 78 ILE N N 78 117.605 117.605 124.901 -7.296 25150 11169 1 17 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.399 2.991 25150 11170 1 17 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.386 4.254 25150 11171 1 17 . 1 1 78 78 ILE H H 78 7.736 7.736 7.881 -0.145 25150 11172 1 17 . 1 1 79 79 PRO C C 79 176.134 176.134 175.871 0.263 25150 11173 1 17 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.938 -0.108 25150 11174 1 17 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.688 -0.528 25150 11175 1 17 . 1 1 80 80 VAL N N 80 123.378 123.378 124.731 -1.353 25150 11176 1 17 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.963 -0.133 25150 11177 1 17 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.727 -1.807 25150 11178 1 17 . 1 1 80 80 VAL H H 80 8.297 8.297 8.564 -0.267 25150 11179 1 17 . 1 1 82 82 PRO C C 82 176.169 176.169 176.471 -0.302 25150 11180 1 17 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.432 0.278 25150 11181 1 17 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.721 -0.051 25150 11182 1 17 . 1 1 83 83 HIS N N 83 121.199 121.199 114.133 7.066 25150 11183 1 17 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.989 -0.148 25150 11184 1 17 . 1 1 83 83 HIS C C 83 173.457 173.457 173.539 -0.082 25150 11185 1 17 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.693 -1.013 25150 11186 1 17 . 1 1 83 83 HIS CB C 83 31.230 31.230 31.928 -0.698 25150 11187 1 17 . 1 1 83 83 HIS H H 83 10.996 10.996 8.712 2.284 25150 11188 1 17 . 1 1 84 84 VAL N N 84 121.050 121.050 121.659 -0.609 25150 11189 1 17 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.887 -0.110 25150 11190 1 17 . 1 1 84 84 VAL C C 84 175.155 175.155 174.565 0.590 25150 11191 1 17 . 1 1 84 84 VAL CA C 84 61.100 61.100 61.110 -0.010 25150 11192 1 17 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.582 0.528 25150 11193 1 17 . 1 1 84 84 VAL H H 84 8.058 8.058 7.589 0.469 25150 11194 1 17 . 1 1 85 85 TYR N N 85 126.195 126.195 125.387 0.808 25150 11195 1 17 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.778 -0.093 25150 11196 1 17 . 1 1 85 85 TYR C C 85 179.268 179.268 177.449 1.819 25150 11197 1 17 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.613 1.777 25150 11198 1 17 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.437 0.833 25150 11199 1 17 . 1 1 85 85 TYR H H 85 9.136 9.136 9.228 -0.092 25150 11200 1 17 . 1 1 86 86 SER N N 86 115.546 115.546 118.056 -2.510 25150 11201 1 17 . 1 1 86 86 SER HA H 86 3.935 3.935 4.218 -0.283 25150 11202 1 17 . 1 1 86 86 SER C C 86 174.309 174.309 174.805 -0.496 25150 11203 1 17 . 1 1 86 86 SER CA C 86 61.890 61.890 60.246 1.644 25150 11204 1 17 . 1 1 86 86 SER CB C 86 62.230 62.230 63.042 -0.812 25150 11205 1 17 . 1 1 86 86 SER H H 86 10.052 10.052 8.801 1.251 25150 11206 1 17 . 1 1 87 87 ASN N N 87 116.470 116.470 117.637 -1.167 25150 11207 1 17 . 1 1 87 87 ASN C C 87 175.624 175.624 175.954 -0.330 25150 11208 1 17 . 1 1 87 87 ASN CA C 87 52.340 52.340 53.406 -1.066 25150 11209 1 17 . 1 1 87 87 ASN CB C 87 37.490 37.490 38.745 -1.254 25150 11210 1 17 . 1 1 87 87 ASN H H 87 7.331 7.331 8.318 -0.987 25150 11211 1 17 . 1 1 88 88 GLY N N 88 108.412 108.412 107.928 0.484 25150 11212 1 17 . 1 1 88 88 GLY C C 88 174.247 174.247 173.587 0.660 25150 11213 1 17 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.282 0.628 25150 11214 1 17 . 1 1 88 88 GLY H H 88 8.737 8.737 8.260 0.477 25150 11215 1 17 . 1 1 89 89 HIS N N 89 119.508 119.508 121.121 -1.613 25150 11216 1 17 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.531 -1.231 25150 11217 1 17 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.771 1.089 25150 11218 1 17 . 1 1 89 89 HIS H H 89 7.494 7.494 8.330 -0.836 25150 11219 1 17 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.768 -0.354 25150 11220 1 17 . 1 1 90 90 ILE C C 90 174.510 174.510 176.101 -1.591 25150 11221 1 17 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.230 -1.910 25150 11222 1 17 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.352 -0.072 25150 11223 1 17 . 1 1 91 91 CYS N N 91 123.587 123.587 129.388 -5.801 25150 11224 1 17 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.472 5.108 25150 11225 1 17 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.589 7.801 25150 11226 1 17 . 1 1 91 91 CYS H H 91 7.304 7.304 9.098 -1.794 25150 11227 1 17 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.673 -0.003 25150 11228 1 17 . 1 1 92 92 LEU C C 92 175.822 175.822 176.730 -0.908 25150 11229 1 17 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.487 5.973 25150 11230 1 17 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.106 -3.687 25150 11231 1 17 . 1 1 93 93 SER N N 93 111.707 111.707 123.900 -12.193 25150 11232 1 17 . 1 1 93 93 SER HA H 93 4.331 4.331 4.282 0.049 25150 11233 1 17 . 1 1 93 93 SER C C 93 177.433 177.433 176.309 1.124 25150 11234 1 17 . 1 1 93 93 SER CA C 93 62.150 62.150 60.816 1.334 25150 11235 1 17 . 1 1 93 93 SER H H 93 9.037 9.037 8.890 0.147 25150 11236 1 17 . 1 1 94 94 ILE N N 94 118.993 118.993 121.446 -2.453 25150 11237 1 17 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.836 169.702 25150 11238 1 17 . 1 1 94 94 ILE CA C 94 64.310 64.310 64.105 0.205 25150 11239 1 17 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.664 0.236 25150 11240 1 17 . 1 1 94 94 ILE H H 94 7.859 7.859 8.085 -0.226 25150 11241 1 17 . 1 1 95 95 LEU N N 95 113.763 113.763 115.488 -1.725 25150 11242 1 17 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.211 0.441 25150 11243 1 17 . 1 1 95 95 LEU C C 95 178.458 178.458 177.527 0.931 25150 11244 1 17 . 1 1 95 95 LEU CA C 95 55.330 55.330 56.308 -0.978 25150 11245 1 17 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.862 0.218 25150 11246 1 17 . 1 1 95 95 LEU H H 95 7.351 7.351 7.792 -0.441 25150 11247 1 17 . 1 1 96 96 THR N N 96 109.929 109.929 108.118 1.811 25150 11248 1 17 . 1 1 96 96 THR HA H 96 4.338 4.338 4.471 -0.133 25150 11249 1 17 . 1 1 96 96 THR C C 96 175.947 175.947 176.162 -0.215 25150 11250 1 17 . 1 1 96 96 THR CA C 96 60.960 60.960 62.068 -1.108 25150 11251 1 17 . 1 1 96 96 THR CB C 96 69.280 69.280 69.477 -0.197 25150 11252 1 17 . 1 1 96 96 THR H H 96 7.794 7.794 7.660 0.134 25150 11253 1 17 . 1 1 97 97 GLU N N 97 123.314 123.314 121.243 2.071 25150 11254 1 17 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.167 0.150 25150 11255 1 17 . 1 1 97 97 GLU C C 97 176.907 176.907 176.961 -0.054 25150 11256 1 17 . 1 1 97 97 GLU CA C 97 58.680 58.680 59.038 -0.358 25150 11257 1 17 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.461 1.329 25150 11258 1 17 . 1 1 97 97 GLU H H 97 8.913 8.913 8.643 0.270 25150 11259 1 17 . 1 1 98 98 ASP N N 98 116.420 116.420 116.941 -0.521 25150 11260 1 17 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.843 0.347 25150 11261 1 17 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.024 0.476 25150 11262 1 17 . 1 1 98 98 ASP H H 98 8.124 8.124 8.130 -0.006 25150 11263 1 17 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.599 -0.179 25150 11264 1 17 . 1 1 99 99 TRP C C 99 176.495 176.495 175.361 1.134 25150 11265 1 17 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.399 0.031 25150 11266 1 17 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.243 -0.663 25150 11267 1 17 . 1 1 100 100 SER N N 100 120.993 120.993 120.172 0.821 25150 11268 1 17 . 1 1 100 100 SER CA C 100 55.370 55.370 53.900 1.470 25150 11269 1 17 . 1 1 100 100 SER CB C 100 64.860 64.860 64.340 0.520 25150 11270 1 17 . 1 1 100 100 SER H H 100 5.703 5.703 7.065 -1.362 25150 11271 1 17 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.033 0.160 25150 11272 1 17 . 1 1 101 101 PRO C C 101 175.227 175.227 176.304 -1.077 25150 11273 1 17 . 1 1 101 101 PRO CA C 101 63.700 63.700 63.737 -0.037 25150 11274 1 17 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.621 -0.201 25150 11275 1 17 . 1 1 102 102 ALA N N 102 118.668 118.668 120.391 -1.723 25150 11276 1 17 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.203 -0.109 25150 11277 1 17 . 1 1 102 102 ALA C C 102 178.797 178.797 177.928 0.869 25150 11278 1 17 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.274 0.556 25150 11279 1 17 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.112 -0.102 25150 11280 1 17 . 1 1 102 102 ALA H H 102 7.290 7.290 7.203 0.087 25150 11281 1 17 . 1 1 103 103 LEU N N 103 119.365 119.365 119.749 -0.384 25150 11282 1 17 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.336 -0.126 25150 11283 1 17 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.928 -1.218 25150 11284 1 17 . 1 1 103 103 LEU H H 103 7.263 7.263 7.225 0.038 25150 11285 1 17 . 1 1 104 104 SER HA H 104 4.381 4.381 4.835 -0.454 25150 11286 1 17 . 1 1 104 104 SER C C 104 175.278 175.278 175.639 -0.361 25150 11287 1 17 . 1 1 104 104 SER CA C 104 56.500 56.500 56.738 -0.238 25150 11288 1 17 . 1 1 104 104 SER CB C 104 66.770 66.770 66.096 0.674 25150 11289 1 17 . 1 1 105 105 VAL N N 105 123.025 123.025 122.495 0.530 25150 11290 1 17 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.790 -0.178 25150 11291 1 17 . 1 1 105 105 VAL C C 105 179.053 179.053 177.712 1.341 25150 11292 1 17 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.981 1.089 25150 11293 1 17 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.676 -0.056 25150 11294 1 17 . 1 1 105 105 VAL H H 105 9.841 9.841 9.492 0.349 25150 11295 1 17 . 1 1 106 106 GLN N N 106 121.218 121.218 118.303 2.915 25150 11296 1 17 . 1 1 106 106 GLN HA H 106 3.855 3.855 4.096 -0.241 25150 11297 1 17 . 1 1 106 106 GLN C C 106 177.698 177.698 178.438 -0.740 25150 11298 1 17 . 1 1 106 106 GLN CA C 106 61.130 61.130 58.762 2.368 25150 11299 1 17 . 1 1 106 106 GLN CB C 106 28.230 28.230 27.836 0.394 25150 11300 1 17 . 1 1 106 106 GLN H H 106 9.109 9.109 8.682 0.427 25150 11301 1 17 . 1 1 107 107 SER N N 107 115.531 115.531 117.754 -2.223 25150 11302 1 17 . 1 1 107 107 SER C C 107 177.828 177.828 176.812 1.016 25150 11303 1 17 . 1 1 107 107 SER CA C 107 62.500 62.500 62.114 0.386 25150 11304 1 17 . 1 1 107 107 SER CB C 107 62.670 62.670 62.898 -0.228 25150 11305 1 17 . 1 1 107 107 SER H H 107 8.209 8.209 8.262 -0.053 25150 11306 1 17 . 1 1 108 108 VAL N N 108 123.756 123.756 122.575 1.181 25150 11307 1 17 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.756 -0.095 25150 11308 1 17 . 1 1 108 108 VAL C C 108 178.087 178.087 177.846 0.241 25150 11309 1 17 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.864 0.106 25150 11310 1 17 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.703 0.007 25150 11311 1 17 . 1 1 108 108 VAL H H 108 8.256 8.256 7.983 0.273 25150 11312 1 17 . 1 1 109 109 CYS N N 109 118.175 118.175 118.195 -0.020 25150 11313 1 17 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.190 -0.255 25150 11314 1 17 . 1 1 109 109 CYS C C 109 176.918 176.918 177.171 -0.253 25150 11315 1 17 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.574 1.316 25150 11316 1 17 . 1 1 109 109 CYS CB C 109 27.800 27.800 27.349 0.451 25150 11317 1 17 . 1 1 109 109 CYS H H 109 8.781 8.781 8.463 0.318 25150 11318 1 17 . 1 1 110 110 LEU N N 110 118.491 118.491 120.037 -1.546 25150 11319 1 17 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.066 0.044 25150 11320 1 17 . 1 1 110 110 LEU C C 110 180.150 180.150 179.095 1.055 25150 11321 1 17 . 1 1 110 110 LEU CA C 110 58.480 58.480 57.818 0.662 25150 11322 1 17 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.571 -0.561 25150 11323 1 17 . 1 1 110 110 LEU H H 110 8.543 8.543 8.399 0.144 25150 11324 1 17 . 1 1 111 111 SER N N 111 117.917 117.917 116.623 1.294 25150 11325 1 17 . 1 1 111 111 SER C C 111 177.009 177.009 176.713 0.296 25150 11326 1 17 . 1 1 111 111 SER CA C 111 63.050 63.050 62.740 0.309 25150 11327 1 17 . 1 1 111 111 SER CB C 111 62.980 62.980 62.777 0.203 25150 11328 1 17 . 1 1 111 111 SER H H 111 8.181 8.181 8.211 -0.030 25150 11329 1 17 . 1 1 112 112 ILE N N 112 124.764 124.764 123.009 1.755 25150 11330 1 17 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.664 0.009 25150 11331 1 17 . 1 1 112 112 ILE C C 112 177.441 177.441 177.723 -0.282 25150 11332 1 17 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.673 -0.243 25150 11333 1 17 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.838 0.112 25150 11334 1 17 . 1 1 112 112 ILE H H 112 8.249 8.249 8.196 0.053 25150 11335 1 17 . 1 1 113 113 ILE N N 113 121.123 121.123 121.326 -0.203 25150 11336 1 17 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.590 0.006 25150 11337 1 17 . 1 1 113 113 ILE C C 113 179.525 179.525 178.396 1.129 25150 11338 1 17 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.835 0.425 25150 11339 1 17 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.697 1.083 25150 11340 1 17 . 1 1 113 113 ILE H H 113 8.415 8.415 8.245 0.170 25150 11341 1 17 . 1 1 114 114 SER N N 114 115.247 115.247 115.890 -0.643 25150 11342 1 17 . 1 1 114 114 SER HA H 114 4.300 4.300 4.214 0.086 25150 11343 1 17 . 1 1 114 114 SER C C 114 176.915 176.915 176.818 0.097 25150 11344 1 17 . 1 1 114 114 SER CA C 114 61.510 61.510 62.031 -0.520 25150 11345 1 17 . 1 1 114 114 SER CB C 114 62.990 62.990 63.047 -0.057 25150 11346 1 17 . 1 1 114 114 SER H H 114 8.241 8.241 8.365 -0.124 25150 11347 1 17 . 1 1 115 115 MET N N 115 122.921 122.921 123.740 -0.819 25150 11348 1 17 . 1 1 115 115 MET C C 115 179.552 179.552 178.509 1.043 25150 11349 1 17 . 1 1 115 115 MET CA C 115 59.030 59.030 59.270 -0.240 25150 11350 1 17 . 1 1 115 115 MET CB C 115 33.040 33.040 32.559 0.481 25150 11351 1 17 . 1 1 115 115 MET H H 115 8.216 8.216 8.182 0.034 25150 11352 1 17 . 1 1 116 116 LEU N N 116 120.553 120.553 119.024 1.529 25150 11353 1 17 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.033 0.044 25150 11354 1 17 . 1 1 116 116 LEU C C 116 179.264 179.264 180.127 -0.863 25150 11355 1 17 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.452 1.318 25150 11356 1 17 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.544 -0.914 25150 11357 1 17 . 1 1 116 116 LEU H H 116 7.981 7.981 8.255 -0.274 25150 11358 1 17 . 1 1 117 117 SER N N 117 114.100 114.100 115.190 -1.090 25150 11359 1 17 . 1 1 117 117 SER HA H 117 4.342 4.342 4.387 -0.045 25150 11360 1 17 . 1 1 117 117 SER C C 117 175.042 175.042 176.097 -1.055 25150 11361 1 17 . 1 1 117 117 SER CA C 117 61.700 61.700 61.331 0.368 25150 11362 1 17 . 1 1 117 117 SER CB C 117 63.120 63.120 63.218 -0.098 25150 11363 1 17 . 1 1 117 117 SER H H 117 8.467 8.467 8.595 -0.128 25150 11364 1 17 . 1 1 118 118 SER N N 118 113.628 113.628 115.838 -2.210 25150 11365 1 17 . 1 1 118 118 SER HA H 118 4.485 4.485 4.561 -0.076 25150 11366 1 17 . 1 1 118 118 SER C C 118 174.142 174.142 175.172 -1.030 25150 11367 1 17 . 1 1 118 118 SER CA C 118 59.000 59.000 57.645 1.355 25150 11368 1 17 . 1 1 118 118 SER CB C 118 64.040 64.040 63.470 0.570 25150 11369 1 17 . 1 1 118 118 SER H H 118 8.037 8.037 8.189 -0.152 25150 11370 1 17 . 1 1 119 119 CYS N N 119 122.293 122.293 123.739 -1.446 25150 11371 1 17 . 1 1 119 119 CYS CA C 119 59.190 59.190 61.227 -2.037 25150 11372 1 17 . 1 1 119 119 CYS CB C 119 28.270 28.270 27.426 0.844 25150 11373 1 17 . 1 1 119 119 CYS H H 119 7.250 7.250 7.664 -0.414 25150 11374 1 17 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.395 0.145 25150 11375 1 17 . 1 1 120 120 LYS C C 120 176.345 176.345 174.319 2.026 25150 11376 1 17 . 1 1 120 120 LYS CA C 120 65.050 65.050 56.390 8.660 25150 11377 1 17 . 1 1 120 120 LYS CB C 120 33.550 33.550 34.187 -0.637 25150 11378 1 17 . 1 1 121 121 GLU N N 121 120.936 120.936 122.826 -1.890 25150 11379 1 17 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.658 -0.429 25150 11380 1 17 . 1 1 121 121 GLU C C 121 174.053 174.053 176.079 -2.026 25150 11381 1 17 . 1 1 121 121 GLU CA C 121 56.190 56.190 55.552 0.638 25150 11382 1 17 . 1 1 121 121 GLU CB C 121 32.690 32.690 31.823 0.867 25150 11383 1 17 . 1 1 121 121 GLU H H 121 7.700 7.700 8.462 -0.762 25150 11384 1 17 . 1 1 122 122 LYS N N 122 127.472 127.472 120.289 7.183 25150 11385 1 17 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.117 -0.255 25150 11386 1 17 . 1 1 122 122 LYS C C 122 174.440 174.440 177.142 -2.702 25150 11387 1 17 . 1 1 122 122 LYS CA C 122 58.280 58.280 57.605 0.675 25150 11388 1 17 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.070 -0.660 25150 11389 1 17 . 1 1 122 122 LYS H H 122 8.890 8.890 8.618 0.272 25150 11390 1 17 . 1 1 123 123 ARG N N 123 123.268 123.268 117.437 5.831 25150 11391 1 17 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.545 -0.275 25150 11392 1 17 . 1 1 123 123 ARG C C 123 172.653 172.653 175.396 -2.743 25150 11393 1 17 . 1 1 123 123 ARG CA C 123 54.580 54.580 53.949 0.631 25150 11394 1 17 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.438 -0.208 25150 11395 1 17 . 1 1 123 123 ARG H H 123 6.841 6.841 8.113 -1.272 25150 11396 1 17 . 1 1 124 124 ARG N N 124 116.787 116.787 121.988 -5.201 25150 11397 1 17 . 1 1 124 124 ARG CA C 124 54.710 54.710 55.700 -0.990 25150 11398 1 17 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.541 -0.461 25150 11399 1 17 . 1 1 124 124 ARG H H 124 8.044 8.044 8.714 -0.670 25150 11400 1 17 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.965 0.835 25150 11401 1 17 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.608 0.172 25150 11402 1 17 . 1 1 127 127 ASP N N 127 115.165 115.165 118.856 -3.691 25150 11403 1 17 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.782 0.342 25150 11404 1 17 . 1 1 127 127 ASP C C 127 172.871 172.871 176.384 -3.513 25150 11405 1 17 . 1 1 127 127 ASP CA C 127 52.670 52.670 52.797 -0.127 25150 11406 1 17 . 1 1 127 127 ASP CB C 127 39.140 39.140 39.934 -0.794 25150 11407 1 17 . 1 1 127 127 ASP H H 127 8.711 8.711 8.057 0.654 25150 11408 1 17 . 1 1 128 128 ASN N N 128 127.858 127.858 122.570 5.288 25150 11409 1 17 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.507 0.973 25150 11410 1 17 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.708 -0.148 25150 11411 1 17 . 1 1 128 128 ASN H H 128 8.502 8.502 8.532 -0.030 25150 11412 1 17 . 1 1 129 129 SER C C 129 176.346 176.346 176.372 -0.026 25150 11413 1 17 . 1 1 129 129 SER CA C 129 62.330 62.330 61.594 0.736 25150 11414 1 17 . 1 1 130 130 PHE N N 130 121.897 121.897 124.644 -2.747 25150 11415 1 17 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.071 0.049 25150 11416 1 17 . 1 1 130 130 PHE C C 130 177.740 177.740 176.764 0.976 25150 11417 1 17 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.963 -1.003 25150 11418 1 17 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.906 0.854 25150 11419 1 17 . 1 1 130 130 PHE H H 130 8.022 8.022 8.543 -0.521 25150 11420 1 17 . 1 1 131 131 TYR N N 131 122.173 122.173 115.752 6.421 25150 11421 1 17 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.344 -0.598 25150 11422 1 17 . 1 1 131 131 TYR C C 131 178.140 178.140 177.230 0.910 25150 11423 1 17 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.270 1.020 25150 11424 1 17 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.138 1.402 25150 11425 1 17 . 1 1 131 131 TYR H H 131 8.871 8.871 7.437 1.434 25150 11426 1 17 . 1 1 132 132 VAL N N 132 116.993 116.993 116.922 0.071 25150 11427 1 17 . 1 1 132 132 VAL C C 132 178.082 178.082 178.484 -0.402 25150 11428 1 17 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.435 0.895 25150 11429 1 17 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.865 -0.415 25150 11430 1 17 . 1 1 132 132 VAL H H 132 8.551 8.551 8.249 0.302 25150 11431 1 17 . 1 1 133 133 ARG N N 133 118.860 118.860 119.546 -0.686 25150 11432 1 17 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.883 0.097 25150 11433 1 17 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.307 -0.057 25150 11434 1 17 . 1 1 133 133 ARG H H 133 7.545 7.545 8.009 -0.464 25150 11435 1 17 . 1 1 134 134 THR CA C 134 62.280 62.280 61.387 0.893 25150 11436 1 17 . 1 1 134 134 THR CB C 134 69.790 69.790 68.724 1.067 25150 11437 1 17 . 1 1 135 135 CYS N N 135 125.959 125.959 122.205 3.754 25150 11438 1 17 . 1 1 135 135 CYS CA C 135 59.760 59.760 59.992 -0.233 25150 11439 1 17 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.024 11.986 25150 11440 1 17 . 1 1 135 135 CYS H H 135 7.881 7.881 7.684 0.197 25150 11441 1 17 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.799 -0.789 25150 11442 1 17 . 1 1 136 136 ASN C C 136 177.768 177.768 174.621 3.147 25150 11443 1 17 . 1 1 136 136 ASN CA C 136 54.160 54.160 53.204 0.956 25150 11444 1 17 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.947 -0.477 25150 11445 1 17 . 1 1 137 137 LYS N N 137 119.224 119.224 120.463 -1.239 25150 11446 1 17 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.533 -0.337 25150 11447 1 17 . 1 1 137 137 LYS C C 137 176.185 176.185 175.248 0.937 25150 11448 1 17 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.382 1.598 25150 11449 1 17 . 1 1 137 137 LYS CB C 137 32.870 32.870 34.384 -1.514 25150 11450 1 17 . 1 1 137 137 LYS H H 137 7.678 7.678 7.747 -0.069 25150 11451 1 17 . 1 1 138 138 ASN N N 138 117.174 117.174 120.958 -3.784 25150 11452 1 17 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.604 -0.074 25150 11453 1 17 . 1 1 138 138 ASN CB C 138 38.940 38.940 37.964 0.976 25150 11454 1 17 . 1 1 138 138 ASN H H 138 7.969 7.969 8.555 -0.586 25150 11455 1 17 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.414 -0.016 25150 11456 1 17 . 1 1 139 139 PRO C C 139 177.335 177.335 176.497 0.838 25150 11457 1 17 . 1 1 139 139 PRO CA C 139 63.850 63.850 63.386 0.464 25150 11458 1 17 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.083 0.027 25150 11459 1 17 . 1 1 140 140 LYS N N 140 118.218 118.218 122.775 -4.557 25150 11460 1 17 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.433 28.216 25150 11461 1 17 . 1 1 140 140 LYS C C 140 176.564 176.564 177.979 -1.415 25150 11462 1 17 . 1 1 140 140 LYS CA C 140 56.990 56.990 55.272 1.718 25150 11463 1 17 . 1 1 140 140 LYS H H 140 8.108 8.108 8.508 -0.400 25150 11464 1 17 . 1 1 141 141 LYS N N 141 119.276 119.276 121.948 -2.672 25150 11465 1 17 . 1 1 141 141 LYS C C 141 177.924 177.924 176.207 1.717 25150 11466 1 17 . 1 1 141 141 LYS CA C 141 56.100 56.100 57.593 -1.493 25150 11467 1 17 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.541 -2.761 25150 11468 1 17 . 1 1 141 141 LYS H H 141 8.135 8.135 8.558 -0.423 25150 11469 1 17 . 1 1 142 142 THR N N 142 115.380 115.380 117.350 -1.970 25150 11470 1 17 . 1 1 142 142 THR CA C 142 61.850 61.850 63.023 -1.173 25150 11471 1 17 . 1 1 142 142 THR CB C 142 69.660 69.660 69.026 0.634 25150 11472 1 17 . 1 1 142 142 THR H H 142 8.030 8.030 7.679 0.351 25150 11473 1 17 . 1 1 143 143 LYS C C 143 178.955 178.955 175.527 3.428 25150 11474 1 17 . 1 1 144 144 TRP N N 144 120.470 120.470 120.441 0.029 25150 11475 1 17 . 1 1 144 144 TRP C C 144 176.557 176.557 175.839 0.718 25150 11476 1 17 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.603 1.267 25150 11477 1 17 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.894 3.106 25150 11478 1 17 . 1 1 144 144 TRP H H 144 8.094 8.094 8.048 0.046 25150 11479 1 17 . 1 1 145 145 TRP N N 145 120.330 120.330 120.846 -0.516 25150 11480 1 17 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.173 0.947 25150 11481 1 17 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.996 1.854 25150 11482 1 17 . 1 1 145 145 TRP H H 145 8.488 8.488 8.662 -0.174 25150 11483 1 17 . 1 1 146 146 TYR C C 146 174.706 174.706 175.023 -0.317 25150 11484 1 17 . 1 1 146 146 TYR CA C 146 57.430 57.430 58.812 -1.382 25150 11485 1 17 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.316 -0.576 25150 11486 1 17 . 1 1 147 147 HIS N N 147 121.604 121.604 125.485 -3.881 25150 11487 1 17 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.759 -0.573 25150 11488 1 17 . 1 1 147 147 HIS C C 147 176.874 176.874 173.672 3.202 25150 11489 1 17 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.114 1.127 25150 11490 1 17 . 1 1 147 147 HIS CB C 147 31.200 31.200 33.676 -2.476 25150 11491 1 17 . 1 1 147 147 HIS H H 147 7.886 7.886 8.087 -0.201 25150 11492 1 17 . 1 1 148 148 ASP N N 148 122.629 122.629 121.620 1.009 25150 11493 1 17 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.494 0.050 25150 11494 1 17 . 1 1 148 148 ASP C C 148 175.661 175.661 176.577 -0.916 25150 11495 1 17 . 1 1 148 148 ASP CA C 148 54.180 54.180 56.156 -1.976 25150 11496 1 17 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.343 0.337 25150 11497 1 17 . 1 1 148 148 ASP H H 148 8.109 8.109 8.644 -0.535 25150 11498 1 17 . 1 1 149 149 ASP N N 149 121.321 121.321 117.971 3.350 25150 11499 1 17 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.697 -0.043 25150 11500 1 17 . 1 1 149 149 ASP C C 149 176.551 176.551 175.951 0.600 25150 11501 1 17 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.247 -0.637 25150 11502 1 17 . 1 1 149 149 ASP CB C 149 41.360 41.360 41.498 -0.138 25150 11503 1 17 . 1 1 149 149 ASP H H 149 8.395 8.395 8.454 -0.059 25150 11504 1 17 . 1 1 150 150 THR N N 150 113.450 113.450 117.698 -4.248 25150 11505 1 17 . 1 1 150 150 THR HA H 150 4.296 4.296 4.471 -0.175 25150 11506 1 17 . 1 1 150 150 THR C C 150 173.994 173.994 173.297 0.697 25150 11507 1 17 . 1 1 150 150 THR CA C 150 62.310 62.310 63.086 -0.776 25150 11508 1 17 . 1 1 150 150 THR CB C 150 69.870 69.870 69.022 0.849 25150 11509 1 17 . 1 1 150 150 THR H H 150 8.259 8.259 8.117 0.142 25150 11510 1 18 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.293 0.001 25150 11511 1 18 . 1 1 6 6 LYS C C 6 176.970 176.970 179.198 -2.228 25150 11512 1 18 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.424 -1.054 25150 11513 1 18 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.318 0.162 25150 11514 1 18 . 1 1 7 7 ARG N N 7 119.704 119.704 120.464 -0.760 25150 11515 1 18 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.124 0.074 25150 11516 1 18 . 1 1 7 7 ARG C C 7 178.270 178.270 178.622 -0.352 25150 11517 1 18 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.569 0.461 25150 11518 1 18 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.504 -0.944 25150 11519 1 18 . 1 1 7 7 ARG H H 7 8.599 8.599 8.170 0.429 25150 11520 1 18 . 1 1 8 8 LEU N N 8 119.704 119.704 119.758 -0.054 25150 11521 1 18 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.092 -0.002 25150 11522 1 18 . 1 1 8 8 LEU C C 8 178.980 178.980 179.606 -0.626 25150 11523 1 18 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.709 0.581 25150 11524 1 18 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.438 0.622 25150 11525 1 18 . 1 1 8 8 LEU H H 8 8.599 8.599 8.119 0.480 25150 11526 1 18 . 1 1 9 9 GLN N N 9 117.512 117.512 119.079 -1.567 25150 11527 1 18 . 1 1 9 9 GLN HA H 9 4.037 4.037 4.019 0.018 25150 11528 1 18 . 1 1 9 9 GLN C C 9 178.610 178.610 178.592 0.018 25150 11529 1 18 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.459 -0.149 25150 11530 1 18 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.494 -0.014 25150 11531 1 18 . 1 1 9 9 GLN H H 9 8.066 8.066 8.372 -0.306 25150 11532 1 18 . 1 1 10 10 LYS N N 10 119.556 119.556 120.191 -0.635 25150 11533 1 18 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.984 0.096 25150 11534 1 18 . 1 1 10 10 LYS C C 10 180.040 180.040 179.243 0.797 25150 11535 1 18 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.862 -0.182 25150 11536 1 18 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.322 0.138 25150 11537 1 18 . 1 1 10 10 LYS H H 10 7.678 7.678 8.334 -0.656 25150 11538 1 18 . 1 1 11 11 GLU N N 11 120.347 120.347 120.131 0.216 25150 11539 1 18 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.126 0.050 25150 11540 1 18 . 1 1 11 11 GLU C C 11 178.770 178.770 178.997 -0.227 25150 11541 1 18 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.506 1.534 25150 11542 1 18 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.817 0.843 25150 11543 1 18 . 1 1 11 11 GLU H H 11 8.533 8.533 8.141 0.392 25150 11544 1 18 . 1 1 12 12 LEU N N 12 123.285 123.285 120.706 2.579 25150 11545 1 18 . 1 1 12 12 LEU C C 12 178.570 178.570 178.997 -0.427 25150 11546 1 18 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.913 0.207 25150 11547 1 18 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.588 -0.508 25150 11548 1 18 . 1 1 12 12 LEU H H 12 8.685 8.685 8.348 0.337 25150 11549 1 18 . 1 1 13 13 LEU N N 13 118.881 118.881 119.348 -0.467 25150 11550 1 18 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.201 -0.204 25150 11551 1 18 . 1 1 13 13 LEU C C 13 179.260 179.260 179.377 -0.117 25150 11552 1 18 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.633 0.267 25150 11553 1 18 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.474 0.416 25150 11554 1 18 . 1 1 13 13 LEU H H 13 7.588 7.588 8.100 -0.512 25150 11555 1 18 . 1 1 14 14 ALA N N 14 120.667 120.667 122.557 -1.890 25150 11556 1 18 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.019 0.171 25150 11557 1 18 . 1 1 14 14 ALA C C 14 176.270 176.270 179.757 -3.487 25150 11558 1 18 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.229 -0.039 25150 11559 1 18 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.229 -0.199 25150 11560 1 18 . 1 1 14 14 ALA H H 14 7.617 7.617 8.163 -0.546 25150 11561 1 18 . 1 1 15 15 LEU N N 15 119.965 119.965 117.749 2.216 25150 11562 1 18 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.160 0.290 25150 11563 1 18 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.844 0.416 25150 11564 1 18 . 1 1 15 15 LEU H H 15 7.726 7.726 8.184 -0.458 25150 11565 1 18 . 1 1 16 16 GLN N N 16 115.381 115.381 116.601 -1.220 25150 11566 1 18 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.041 -0.063 25150 11567 1 18 . 1 1 16 16 GLN C C 16 177.950 177.950 177.776 0.174 25150 11568 1 18 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.095 0.365 25150 11569 1 18 . 1 1 16 16 GLN CB C 16 29.790 29.790 29.028 0.762 25150 11570 1 18 . 1 1 16 16 GLN H H 16 8.028 8.028 8.014 0.014 25150 11571 1 18 . 1 1 17 17 ASN N N 17 114.975 114.975 116.512 -1.537 25150 11572 1 18 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.656 -0.026 25150 11573 1 18 . 1 1 17 17 ASN C C 17 175.303 175.303 175.058 0.245 25150 11574 1 18 . 1 1 17 17 ASN CA C 17 54.880 54.880 54.895 -0.015 25150 11575 1 18 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.240 0.609 25150 11576 1 18 . 1 1 17 17 ASN H H 17 8.136 8.136 7.958 0.178 25150 11577 1 18 . 1 1 18 18 ASP N N 18 119.698 119.698 118.178 1.520 25150 11578 1 18 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.633 0.827 25150 11579 1 18 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.347 -0.837 25150 11580 1 18 . 1 1 18 18 ASP H H 18 8.218 8.218 8.166 0.052 25150 11581 1 18 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.340 -0.025 25150 11582 1 18 . 1 1 21 21 PRO C C 21 177.867 177.867 177.917 -0.050 25150 11583 1 18 . 1 1 21 21 PRO CA C 21 63.820 63.820 63.982 -0.162 25150 11584 1 18 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.914 -0.344 25150 11585 1 18 . 1 1 22 22 GLY N N 22 111.293 111.293 111.766 -0.473 25150 11586 1 18 . 1 1 22 22 GLY C C 22 174.342 174.342 173.831 0.511 25150 11587 1 18 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.298 0.692 25150 11588 1 18 . 1 1 22 22 GLY H H 22 8.506 8.506 8.715 -0.209 25150 11589 1 18 . 1 1 23 23 MET N N 23 118.966 118.966 117.775 1.191 25150 11590 1 18 . 1 1 23 23 MET HA H 23 5.699 5.699 5.539 0.160 25150 11591 1 18 . 1 1 23 23 MET C C 23 175.386 175.386 174.836 0.550 25150 11592 1 18 . 1 1 23 23 MET CA C 23 55.270 55.270 54.834 0.436 25150 11593 1 18 . 1 1 23 23 MET CB C 23 35.890 35.890 37.252 -1.362 25150 11594 1 18 . 1 1 23 23 MET H H 23 8.017 8.017 8.111 -0.094 25150 11595 1 18 . 1 1 24 24 THR N N 24 112.647 112.647 114.401 -1.754 25150 11596 1 18 . 1 1 24 24 THR HA H 24 4.596 4.596 4.646 -0.050 25150 11597 1 18 . 1 1 24 24 THR C C 24 173.407 173.407 172.350 1.057 25150 11598 1 18 . 1 1 24 24 THR CA C 24 60.850 60.850 60.623 0.227 25150 11599 1 18 . 1 1 24 24 THR CB C 24 72.360 72.360 71.238 1.122 25150 11600 1 18 . 1 1 24 24 THR H H 24 8.565 8.565 8.754 -0.189 25150 11601 1 18 . 1 1 25 25 LEU N N 25 126.920 126.920 117.116 9.804 25150 11602 1 18 . 1 1 25 25 LEU HA H 25 4.296 4.296 5.166 -0.870 25150 11603 1 18 . 1 1 25 25 LEU C C 25 175.624 175.624 174.241 1.383 25150 11604 1 18 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.044 2.126 25150 11605 1 18 . 1 1 25 25 LEU CB C 25 42.710 42.710 45.688 -2.978 25150 11606 1 18 . 1 1 25 25 LEU H H 25 9.189 9.189 8.254 0.935 25150 11607 1 18 . 1 1 26 26 ASN N N 26 127.108 127.108 115.826 11.282 25150 11608 1 18 . 1 1 26 26 ASN C C 26 173.783 173.783 173.010 0.773 25150 11609 1 18 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.826 2.274 25150 11610 1 18 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.720 -0.350 25150 11611 1 18 . 1 1 26 26 ASN H H 26 9.000 9.000 9.049 -0.049 25150 11612 1 18 . 1 1 27 27 GLU N N 27 108.990 108.990 119.039 -10.049 25150 11613 1 18 . 1 1 27 27 GLU CA C 27 56.610 56.610 54.967 1.643 25150 11614 1 18 . 1 1 27 27 GLU H H 27 7.631 7.631 8.507 -0.876 25150 11615 1 18 . 1 1 30 30 VAL C C 30 177.011 177.011 177.443 -0.432 25150 11616 1 18 . 1 1 30 30 VAL CA C 30 55.230 55.230 65.186 -9.956 25150 11617 1 18 . 1 1 30 30 VAL CB C 30 30.860 30.860 31.826 -0.966 25150 11618 1 18 . 1 1 31 31 GLN N N 31 125.960 125.960 117.857 8.103 25150 11619 1 18 . 1 1 31 31 GLN CA C 31 58.430 58.430 58.080 0.350 25150 11620 1 18 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.722 0.408 25150 11621 1 18 . 1 1 31 31 GLN H H 31 7.880 7.880 7.700 0.180 25150 11622 1 18 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.730 -0.070 25150 11623 1 18 . 1 1 34 34 ILE C C 34 178.642 178.642 175.540 3.102 25150 11624 1 18 . 1 1 34 34 ILE CA C 34 54.970 54.970 61.048 -6.078 25150 11625 1 18 . 1 1 34 34 ILE CB C 34 42.000 42.000 37.989 4.011 25150 11626 1 18 . 1 1 35 35 THR N N 35 110.980 110.980 111.349 -0.369 25150 11627 1 18 . 1 1 35 35 THR CA C 35 61.070 61.070 61.115 -0.045 25150 11628 1 18 . 1 1 35 35 THR CB C 35 69.090 69.090 70.722 -1.632 25150 11629 1 18 . 1 1 35 35 THR H H 35 7.825 7.825 8.083 -0.258 25150 11630 1 18 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.274 0.350 25150 11631 1 18 . 1 1 36 36 GLN C C 36 174.178 174.178 174.787 -0.609 25150 11632 1 18 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.152 0.938 25150 11633 1 18 . 1 1 36 36 GLN CB C 36 32.290 32.290 33.473 -1.183 25150 11634 1 18 . 1 1 37 37 TRP N N 37 123.942 123.942 121.478 2.464 25150 11635 1 18 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.059 0.517 25150 11636 1 18 . 1 1 37 37 TRP C C 37 174.959 174.959 175.860 -0.901 25150 11637 1 18 . 1 1 37 37 TRP CA C 37 53.630 53.630 54.655 -1.025 25150 11638 1 18 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.412 0.538 25150 11639 1 18 . 1 1 37 37 TRP H H 37 9.242 9.242 8.859 0.383 25150 11640 1 18 . 1 1 38 38 ILE N N 38 121.559 121.559 122.088 -0.529 25150 11641 1 18 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.982 0.297 25150 11642 1 18 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.660 -1.230 25150 11643 1 18 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.750 -0.510 25150 11644 1 18 . 1 1 38 38 ILE H H 38 8.778 8.778 9.160 -0.382 25150 11645 1 18 . 1 1 39 39 VAL N N 39 128.719 128.719 129.189 -0.470 25150 11646 1 18 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.630 -0.049 25150 11647 1 18 . 1 1 39 39 VAL C C 39 175.175 175.175 175.066 0.109 25150 11648 1 18 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.874 0.376 25150 11649 1 18 . 1 1 39 39 VAL CB C 39 35.850 35.850 33.852 1.998 25150 11650 1 18 . 1 1 39 39 VAL H H 39 9.533 9.533 9.283 0.250 25150 11651 1 18 . 1 1 40 40 ASP N N 40 128.451 128.451 128.773 -0.322 25150 11652 1 18 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.144 0.074 25150 11653 1 18 . 1 1 40 40 ASP C C 40 175.157 175.157 175.034 0.123 25150 11654 1 18 . 1 1 40 40 ASP CA C 40 55.310 55.310 54.316 0.994 25150 11655 1 18 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.330 0.170 25150 11656 1 18 . 1 1 40 40 ASP H H 40 9.165 9.165 8.780 0.385 25150 11657 1 18 . 1 1 41 41 MET N N 41 120.544 120.544 123.631 -3.087 25150 11658 1 18 . 1 1 41 41 MET HA H 41 5.467 5.467 5.029 0.438 25150 11659 1 18 . 1 1 41 41 MET C C 41 173.590 173.590 173.927 -0.337 25150 11660 1 18 . 1 1 41 41 MET CA C 41 54.610 54.610 54.548 0.062 25150 11661 1 18 . 1 1 41 41 MET CB C 41 37.490 37.490 37.467 0.023 25150 11662 1 18 . 1 1 41 41 MET H H 41 8.756 8.756 9.304 -0.548 25150 11663 1 18 . 1 1 42 42 GLU N N 42 125.740 125.740 128.100 -2.360 25150 11664 1 18 . 1 1 42 42 GLU HA H 42 5.010 5.010 4.954 0.056 25150 11665 1 18 . 1 1 42 42 GLU C C 42 177.323 177.323 176.863 0.460 25150 11666 1 18 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.780 -0.300 25150 11667 1 18 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.667 -0.407 25150 11668 1 18 . 1 1 42 42 GLU H H 42 8.706 8.706 8.794 -0.088 25150 11669 1 18 . 1 1 43 43 GLY N N 43 111.314 111.314 113.746 -2.432 25150 11670 1 18 . 1 1 43 43 GLY C C 43 174.121 174.121 174.241 -0.120 25150 11671 1 18 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.518 -0.128 25150 11672 1 18 . 1 1 43 43 GLY H H 43 8.917 8.917 8.813 0.104 25150 11673 1 18 . 1 1 44 44 ALA N N 44 128.665 128.665 129.002 -0.337 25150 11674 1 18 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.364 0.696 25150 11675 1 18 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.802 -0.332 25150 11676 1 18 . 1 1 44 44 ALA H H 44 8.918 8.918 8.401 0.517 25150 11677 1 18 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.126 0.174 25150 11678 1 18 . 1 1 45 45 PRO C C 45 177.598 177.598 177.433 0.165 25150 11679 1 18 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.616 -1.206 25150 11680 1 18 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.183 0.607 25150 11681 1 18 . 1 1 46 46 GLY N N 46 111.319 111.319 113.299 -1.980 25150 11682 1 18 . 1 1 46 46 GLY C C 46 174.290 174.290 174.699 -0.409 25150 11683 1 18 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.222 0.688 25150 11684 1 18 . 1 1 46 46 GLY H H 46 9.449 9.449 9.334 0.115 25150 11685 1 18 . 1 1 47 47 THR N N 47 107.981 107.981 111.949 -3.968 25150 11686 1 18 . 1 1 47 47 THR HA H 47 4.801 4.801 4.630 0.171 25150 11687 1 18 . 1 1 47 47 THR C C 47 176.158 176.158 175.933 0.225 25150 11688 1 18 . 1 1 47 47 THR CA C 47 60.380 60.380 59.918 0.462 25150 11689 1 18 . 1 1 47 47 THR CB C 47 73.420 73.420 71.240 2.180 25150 11690 1 18 . 1 1 47 47 THR H H 47 7.426 7.426 7.531 -0.105 25150 11691 1 18 . 1 1 48 48 LEU N N 48 119.132 119.132 120.176 -1.044 25150 11692 1 18 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.159 -0.102 25150 11693 1 18 . 1 1 48 48 LEU C C 48 175.907 175.907 176.933 -1.026 25150 11694 1 18 . 1 1 48 48 LEU CA C 48 56.490 56.490 55.649 0.841 25150 11695 1 18 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.493 0.127 25150 11696 1 18 . 1 1 48 48 LEU H H 48 8.966 8.966 8.826 0.140 25150 11697 1 18 . 1 1 49 49 TYR N N 49 113.649 113.649 114.364 -0.715 25150 11698 1 18 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.755 0.070 25150 11699 1 18 . 1 1 49 49 TYR C C 49 174.634 174.634 175.196 -0.562 25150 11700 1 18 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.899 -0.789 25150 11701 1 18 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.511 -1.121 25150 11702 1 18 . 1 1 49 49 TYR H H 49 7.205 7.205 7.581 -0.376 25150 11703 1 18 . 1 1 50 50 GLU N N 50 122.006 122.006 121.708 0.298 25150 11704 1 18 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.010 -0.533 25150 11705 1 18 . 1 1 50 50 GLU C C 50 177.182 177.182 177.836 -0.654 25150 11706 1 18 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.183 -0.083 25150 11707 1 18 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.262 0.778 25150 11708 1 18 . 1 1 50 50 GLU H H 50 6.934 6.934 7.516 -0.582 25150 11709 1 18 . 1 1 51 51 GLY N N 51 115.165 115.165 115.888 -0.723 25150 11710 1 18 . 1 1 51 51 GLY C C 51 173.997 173.997 174.253 -0.256 25150 11711 1 18 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.965 0.535 25150 11712 1 18 . 1 1 51 51 GLY H H 51 8.752 8.752 8.705 0.047 25150 11713 1 18 . 1 1 52 52 GLU N N 52 120.251 120.251 121.445 -1.194 25150 11714 1 18 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.303 -0.333 25150 11715 1 18 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.368 1.072 25150 11716 1 18 . 1 1 52 52 GLU CB C 52 32.700 32.700 31.040 1.660 25150 11717 1 18 . 1 1 52 52 GLU H H 52 7.900 7.900 7.920 -0.020 25150 11718 1 18 . 1 1 53 53 LYS N N 53 120.435 120.435 122.530 -2.095 25150 11719 1 18 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.062 -0.376 25150 11720 1 18 . 1 1 53 53 LYS C C 53 175.285 175.285 175.566 -0.281 25150 11721 1 18 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.279 0.102 25150 11722 1 18 . 1 1 53 53 LYS CB C 53 34.060 34.060 34.397 -0.336 25150 11723 1 18 . 1 1 53 53 LYS H H 53 8.046 8.046 8.227 -0.181 25150 11724 1 18 . 1 1 54 54 PHE N N 54 122.724 122.724 123.801 -1.077 25150 11725 1 18 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.922 0.598 25150 11726 1 18 . 1 1 54 54 PHE C C 54 175.151 175.151 174.220 0.931 25150 11727 1 18 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.441 -1.751 25150 11728 1 18 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.663 0.936 25150 11729 1 18 . 1 1 54 54 PHE H H 54 9.082 9.082 8.799 0.283 25150 11730 1 18 . 1 1 55 55 GLN N N 55 121.971 121.971 118.380 3.591 25150 11731 1 18 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.553 -0.202 25150 11732 1 18 . 1 1 55 55 GLN C C 55 173.802 173.802 174.851 -1.049 25150 11733 1 18 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.622 1.578 25150 11734 1 18 . 1 1 55 55 GLN CB C 55 34.320 34.320 33.400 0.920 25150 11735 1 18 . 1 1 55 55 GLN H H 55 10.001 10.001 8.845 1.156 25150 11736 1 18 . 1 1 56 56 LEU N N 56 124.898 124.898 122.447 2.451 25150 11737 1 18 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.181 -0.489 25150 11738 1 18 . 1 1 56 56 LEU C C 56 174.265 174.265 175.643 -1.378 25150 11739 1 18 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.338 0.082 25150 11740 1 18 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.039 1.651 25150 11741 1 18 . 1 1 56 56 LEU H H 56 9.573 9.573 9.127 0.447 25150 11742 1 18 . 1 1 57 57 LEU N N 57 124.234 124.234 121.092 3.142 25150 11743 1 18 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.372 -0.202 25150 11744 1 18 . 1 1 57 57 LEU C C 57 174.551 174.551 175.650 -1.099 25150 11745 1 18 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.313 0.357 25150 11746 1 18 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.235 1.285 25150 11747 1 18 . 1 1 57 57 LEU H H 57 8.890 8.890 8.921 -0.031 25150 11748 1 18 . 1 1 58 58 PHE N N 58 124.003 124.003 121.585 2.418 25150 11749 1 18 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.847 -0.097 25150 11750 1 18 . 1 1 58 58 PHE C C 58 174.407 174.407 174.210 0.197 25150 11751 1 18 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.936 0.064 25150 11752 1 18 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.001 2.939 25150 11753 1 18 . 1 1 58 58 PHE H H 58 9.134 9.134 8.888 0.246 25150 11754 1 18 . 1 1 59 59 LYS N N 59 120.089 120.089 123.938 -3.849 25150 11755 1 18 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.786 0.097 25150 11756 1 18 . 1 1 59 59 LYS C C 59 175.192 175.192 174.869 0.323 25150 11757 1 18 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.762 0.058 25150 11758 1 18 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.431 1.099 25150 11759 1 18 . 1 1 59 59 LYS H H 59 8.732 8.732 8.321 0.411 25150 11760 1 18 . 1 1 60 60 PHE N N 60 123.988 123.988 125.566 -1.578 25150 11761 1 18 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.462 -0.158 25150 11762 1 18 . 1 1 60 60 PHE C C 60 174.636 174.636 175.210 -0.574 25150 11763 1 18 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.672 0.578 25150 11764 1 18 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.112 1.048 25150 11765 1 18 . 1 1 60 60 PHE H H 60 8.649 8.649 8.551 0.098 25150 11766 1 18 . 1 1 61 61 SER N N 61 117.599 117.599 117.605 -0.006 25150 11767 1 18 . 1 1 61 61 SER C C 61 174.771 174.771 176.269 -1.498 25150 11768 1 18 . 1 1 61 61 SER CA C 61 57.130 57.130 57.096 0.034 25150 11769 1 18 . 1 1 61 61 SER CB C 61 66.030 66.030 64.242 1.788 25150 11770 1 18 . 1 1 61 61 SER H H 61 8.066 8.066 8.687 -0.621 25150 11771 1 18 . 1 1 62 62 SER N N 62 119.994 119.994 122.442 -2.448 25150 11772 1 18 . 1 1 62 62 SER CA C 62 61.650 61.650 60.517 1.133 25150 11773 1 18 . 1 1 62 62 SER H H 62 8.265 8.265 8.954 -0.689 25150 11774 1 18 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.465 -0.015 25150 11775 1 18 . 1 1 63 63 ARG C C 63 175.086 175.086 176.395 -1.309 25150 11776 1 18 . 1 1 63 63 ARG CA C 63 57.670 57.670 55.153 2.517 25150 11777 1 18 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.845 -0.795 25150 11778 1 18 . 1 1 64 64 TYR N N 64 120.957 120.957 124.738 -3.781 25150 11779 1 18 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.477 1.203 25150 11780 1 18 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.690 -0.970 25150 11781 1 18 . 1 1 64 64 TYR H H 64 7.471 7.471 7.904 -0.433 25150 11782 1 18 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.884 -0.214 25150 11783 1 18 . 1 1 65 65 PRO C C 65 174.345 174.345 176.886 -2.541 25150 11784 1 18 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.579 0.881 25150 11785 1 18 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.870 2.500 25150 11786 1 18 . 1 1 66 66 PHE N N 66 126.070 126.070 122.093 3.977 25150 11787 1 18 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.298 -0.055 25150 11788 1 18 . 1 1 66 66 PHE C C 66 175.867 175.867 174.934 0.933 25150 11789 1 18 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.909 0.171 25150 11790 1 18 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.233 -1.223 25150 11791 1 18 . 1 1 66 66 PHE H H 66 8.630 8.630 8.251 0.379 25150 11792 1 18 . 1 1 67 67 ASP N N 67 118.021 118.021 118.090 -0.069 25150 11793 1 18 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.763 -0.804 25150 11794 1 18 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.425 -47.795 25150 11795 1 18 . 1 1 67 67 ASP CB C 67 34.840 34.840 41.873 -7.033 25150 11796 1 18 . 1 1 67 67 ASP H H 67 7.126 7.126 8.228 -1.102 25150 11797 1 18 . 1 1 68 68 SER N N 68 120.730 120.730 115.004 5.726 25150 11798 1 18 . 1 1 68 68 SER CA C 68 55.750 55.750 55.133 0.617 25150 11799 1 18 . 1 1 68 68 SER CB C 68 61.900 61.900 62.748 -0.848 25150 11800 1 18 . 1 1 68 68 SER H H 68 8.091 8.091 7.868 0.223 25150 11801 1 18 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.381 -0.025 25150 11802 1 18 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.240 -0.160 25150 11803 1 18 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.698 0.012 25150 11804 1 18 . 1 1 70 70 GLN N N 70 119.493 119.493 121.114 -1.621 25150 11805 1 18 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.090 -0.020 25150 11806 1 18 . 1 1 70 70 GLN CB C 70 30.490 30.490 28.870 1.620 25150 11807 1 18 . 1 1 70 70 GLN H H 70 8.049 8.049 8.130 -0.081 25150 11808 1 18 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.747 -0.347 25150 11809 1 18 . 1 1 71 71 VAL CA C 71 59.810 59.810 59.990 -0.180 25150 11810 1 18 . 1 1 71 71 VAL CB C 71 32.840 32.840 33.394 -0.554 25150 11811 1 18 . 1 1 72 72 MET N N 72 120.767 120.767 121.242 -0.475 25150 11812 1 18 . 1 1 72 72 MET HA H 72 4.731 4.731 5.042 -0.311 25150 11813 1 18 . 1 1 72 72 MET C C 72 174.779 174.779 174.140 0.639 25150 11814 1 18 . 1 1 72 72 MET CA C 72 54.390 54.390 54.120 0.270 25150 11815 1 18 . 1 1 72 72 MET CB C 72 36.140 36.140 36.992 -0.852 25150 11816 1 18 . 1 1 72 72 MET H H 72 8.245 8.245 8.191 0.054 25150 11817 1 18 . 1 1 73 73 PHE N N 73 120.458 120.458 119.627 0.831 25150 11818 1 18 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.649 -0.435 25150 11819 1 18 . 1 1 73 73 PHE C C 73 175.404 175.404 176.719 -1.315 25150 11820 1 18 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.294 1.286 25150 11821 1 18 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.284 0.336 25150 11822 1 18 . 1 1 73 73 PHE H H 73 9.193 9.193 8.835 0.358 25150 11823 1 18 . 1 1 74 74 THR N N 74 113.842 113.842 115.664 -1.822 25150 11824 1 18 . 1 1 74 74 THR HA H 74 4.777 4.777 4.642 0.135 25150 11825 1 18 . 1 1 74 74 THR C C 74 173.551 173.551 173.868 -0.317 25150 11826 1 18 . 1 1 74 74 THR CA C 74 59.580 59.580 60.901 -1.321 25150 11827 1 18 . 1 1 74 74 THR CB C 74 71.300 71.300 70.946 0.354 25150 11828 1 18 . 1 1 74 74 THR H H 74 8.894 8.894 8.992 -0.098 25150 11829 1 18 . 1 1 75 75 GLY N N 75 109.259 109.259 112.505 -3.246 25150 11830 1 18 . 1 1 75 75 GLY C C 75 173.980 173.980 173.884 0.096 25150 11831 1 18 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.786 -0.076 25150 11832 1 18 . 1 1 75 75 GLY H H 75 8.058 8.058 8.084 -0.026 25150 11833 1 18 . 1 1 76 76 GLU N N 76 116.661 116.661 119.986 -3.325 25150 11834 1 18 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.333 -0.192 25150 11835 1 18 . 1 1 76 76 GLU C C 76 176.624 176.624 175.876 0.748 25150 11836 1 18 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.511 1.529 25150 11837 1 18 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.065 0.845 25150 11838 1 18 . 1 1 76 76 GLU H H 76 8.356 8.356 8.405 -0.049 25150 11839 1 18 . 1 1 77 77 ASN N N 77 118.469 118.469 118.513 -0.044 25150 11840 1 18 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.898 0.212 25150 11841 1 18 . 1 1 77 77 ASN C C 77 176.525 176.525 173.415 3.110 25150 11842 1 18 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.504 -0.264 25150 11843 1 18 . 1 1 77 77 ASN CB C 77 39.710 39.710 38.864 0.846 25150 11844 1 18 . 1 1 77 77 ASN H H 77 8.614 8.614 8.127 0.487 25150 11845 1 18 . 1 1 78 78 ILE N N 78 117.605 117.605 125.169 -7.564 25150 11846 1 18 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.350 3.040 25150 11847 1 18 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.891 3.749 25150 11848 1 18 . 1 1 78 78 ILE H H 78 7.736 7.736 8.287 -0.551 25150 11849 1 18 . 1 1 79 79 PRO C C 79 176.134 176.134 175.977 0.157 25150 11850 1 18 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.965 0.866 25150 11851 1 18 . 1 1 79 79 PRO CB C 79 31.160 31.160 31.954 -0.794 25150 11852 1 18 . 1 1 80 80 VAL N N 80 123.378 123.378 121.533 1.845 25150 11853 1 18 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.261 0.569 25150 11854 1 18 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.185 -2.265 25150 11855 1 18 . 1 1 80 80 VAL H H 80 8.297 8.297 8.365 -0.068 25150 11856 1 18 . 1 1 82 82 PRO C C 82 176.169 176.169 176.413 -0.244 25150 11857 1 18 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.673 0.037 25150 11858 1 18 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.761 -0.091 25150 11859 1 18 . 1 1 83 83 HIS N N 83 121.199 121.199 114.089 7.110 25150 11860 1 18 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.661 0.180 25150 11861 1 18 . 1 1 83 83 HIS C C 83 173.457 173.457 173.986 -0.529 25150 11862 1 18 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.901 -1.221 25150 11863 1 18 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.075 1.155 25150 11864 1 18 . 1 1 83 83 HIS H H 83 10.996 10.996 8.645 2.351 25150 11865 1 18 . 1 1 84 84 VAL N N 84 121.050 121.050 120.269 0.781 25150 11866 1 18 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.729 0.048 25150 11867 1 18 . 1 1 84 84 VAL C C 84 175.155 175.155 174.704 0.451 25150 11868 1 18 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.796 0.304 25150 11869 1 18 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.265 -0.155 25150 11870 1 18 . 1 1 84 84 VAL H H 84 8.058 8.058 7.716 0.342 25150 11871 1 18 . 1 1 85 85 TYR N N 85 126.195 126.195 125.600 0.595 25150 11872 1 18 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.574 0.111 25150 11873 1 18 . 1 1 85 85 TYR C C 85 179.268 179.268 177.537 1.731 25150 11874 1 18 . 1 1 85 85 TYR CA C 85 59.390 59.390 58.529 0.861 25150 11875 1 18 . 1 1 85 85 TYR CB C 85 41.270 41.270 39.641 1.629 25150 11876 1 18 . 1 1 85 85 TYR H H 85 9.136 9.136 8.917 0.219 25150 11877 1 18 . 1 1 86 86 SER N N 86 115.546 115.546 116.734 -1.188 25150 11878 1 18 . 1 1 86 86 SER HA H 86 3.935 3.935 4.218 -0.283 25150 11879 1 18 . 1 1 86 86 SER C C 86 174.309 174.309 174.640 -0.331 25150 11880 1 18 . 1 1 86 86 SER CA C 86 61.890 61.890 60.332 1.558 25150 11881 1 18 . 1 1 86 86 SER CB C 86 62.230 62.230 63.093 -0.863 25150 11882 1 18 . 1 1 86 86 SER H H 86 10.052 10.052 8.765 1.287 25150 11883 1 18 . 1 1 87 87 ASN N N 87 116.470 116.470 117.196 -0.726 25150 11884 1 18 . 1 1 87 87 ASN C C 87 175.624 175.624 175.887 -0.263 25150 11885 1 18 . 1 1 87 87 ASN CA C 87 52.340 52.340 53.151 -0.811 25150 11886 1 18 . 1 1 87 87 ASN CB C 87 37.490 37.490 38.411 -0.921 25150 11887 1 18 . 1 1 87 87 ASN H H 87 7.331 7.331 8.210 -0.879 25150 11888 1 18 . 1 1 88 88 GLY N N 88 108.412 108.412 107.266 1.146 25150 11889 1 18 . 1 1 88 88 GLY C C 88 174.247 174.247 173.792 0.455 25150 11890 1 18 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.189 0.721 25150 11891 1 18 . 1 1 88 88 GLY H H 88 8.737 8.737 8.213 0.524 25150 11892 1 18 . 1 1 89 89 HIS N N 89 119.508 119.508 123.484 -3.976 25150 11893 1 18 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.075 -0.775 25150 11894 1 18 . 1 1 89 89 HIS CB C 89 31.860 31.860 29.953 1.907 25150 11895 1 18 . 1 1 89 89 HIS H H 89 7.494 7.494 8.332 -0.838 25150 11896 1 18 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.140 0.274 25150 11897 1 18 . 1 1 90 90 ILE C C 90 174.510 174.510 175.839 -1.329 25150 11898 1 18 . 1 1 90 90 ILE CA C 90 58.320 58.320 59.842 -1.522 25150 11899 1 18 . 1 1 90 90 ILE CB C 90 39.280 39.280 36.360 2.920 25150 11900 1 18 . 1 1 91 91 CYS N N 91 123.587 123.587 128.982 -5.395 25150 11901 1 18 . 1 1 91 91 CYS CA C 91 63.580 63.580 57.371 6.209 25150 11902 1 18 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.886 6.504 25150 11903 1 18 . 1 1 91 91 CYS H H 91 7.304 7.304 8.765 -1.461 25150 11904 1 18 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.760 -0.090 25150 11905 1 18 . 1 1 92 92 LEU C C 92 175.822 175.822 178.364 -2.542 25150 11906 1 18 . 1 1 92 92 LEU CA C 92 59.460 59.460 52.971 6.489 25150 11907 1 18 . 1 1 92 92 LEU CB C 92 41.420 41.420 44.996 -3.576 25150 11908 1 18 . 1 1 93 93 SER N N 93 111.707 111.707 119.111 -7.404 25150 11909 1 18 . 1 1 93 93 SER HA H 93 4.331 4.331 4.239 0.092 25150 11910 1 18 . 1 1 93 93 SER C C 93 177.433 177.433 176.499 0.934 25150 11911 1 18 . 1 1 93 93 SER CA C 93 62.150 62.150 60.819 1.331 25150 11912 1 18 . 1 1 93 93 SER H H 93 9.037 9.037 8.735 0.302 25150 11913 1 18 . 1 1 94 94 ILE N N 94 118.993 118.993 115.369 3.624 25150 11914 1 18 . 1 1 94 94 ILE HA H 94 173.538 173.538 3.953 169.585 25150 11915 1 18 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.392 0.918 25150 11916 1 18 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.399 0.501 25150 11917 1 18 . 1 1 94 94 ILE H H 94 7.859 7.859 8.018 -0.159 25150 11918 1 18 . 1 1 95 95 LEU N N 95 113.763 113.763 118.453 -4.690 25150 11919 1 18 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.474 0.178 25150 11920 1 18 . 1 1 95 95 LEU C C 95 178.458 178.458 177.542 0.916 25150 11921 1 18 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.624 -0.294 25150 11922 1 18 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.855 0.225 25150 11923 1 18 . 1 1 95 95 LEU H H 95 7.351 7.351 7.853 -0.502 25150 11924 1 18 . 1 1 96 96 THR N N 96 109.929 109.929 111.627 -1.698 25150 11925 1 18 . 1 1 96 96 THR HA H 96 4.338 4.338 4.533 -0.195 25150 11926 1 18 . 1 1 96 96 THR C C 96 175.947 175.947 176.452 -0.505 25150 11927 1 18 . 1 1 96 96 THR CA C 96 60.960 60.960 63.053 -2.093 25150 11928 1 18 . 1 1 96 96 THR CB C 96 69.280 69.280 69.178 0.102 25150 11929 1 18 . 1 1 96 96 THR H H 96 7.794 7.794 7.943 -0.149 25150 11930 1 18 . 1 1 97 97 GLU N N 97 123.314 123.314 121.160 2.154 25150 11931 1 18 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.228 0.089 25150 11932 1 18 . 1 1 97 97 GLU C C 97 176.907 176.907 176.942 -0.035 25150 11933 1 18 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.980 -0.299 25150 11934 1 18 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.509 1.281 25150 11935 1 18 . 1 1 97 97 GLU H H 97 8.913 8.913 8.664 0.249 25150 11936 1 18 . 1 1 98 98 ASP N N 98 116.420 116.420 116.658 -0.238 25150 11937 1 18 . 1 1 98 98 ASP CA C 98 54.190 54.190 53.833 0.357 25150 11938 1 18 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.096 0.404 25150 11939 1 18 . 1 1 98 98 ASP H H 98 8.124 8.124 8.149 -0.025 25150 11940 1 18 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.565 -0.145 25150 11941 1 18 . 1 1 99 99 TRP C C 99 176.495 176.495 175.002 1.493 25150 11942 1 18 . 1 1 99 99 TRP CA C 99 59.430 59.430 58.792 0.638 25150 11943 1 18 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.062 -0.482 25150 11944 1 18 . 1 1 100 100 SER N N 100 120.993 120.993 119.986 1.007 25150 11945 1 18 . 1 1 100 100 SER CA C 100 55.370 55.370 54.634 0.736 25150 11946 1 18 . 1 1 100 100 SER CB C 100 64.860 64.860 64.382 0.478 25150 11947 1 18 . 1 1 100 100 SER H H 100 5.703 5.703 6.940 -1.237 25150 11948 1 18 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.194 -0.001 25150 11949 1 18 . 1 1 101 101 PRO C C 101 175.227 175.227 176.776 -1.549 25150 11950 1 18 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.224 -0.524 25150 11951 1 18 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.668 -0.248 25150 11952 1 18 . 1 1 102 102 ALA N N 102 118.668 118.668 121.249 -2.581 25150 11953 1 18 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.160 -0.066 25150 11954 1 18 . 1 1 102 102 ALA C C 102 178.797 178.797 177.239 1.558 25150 11955 1 18 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.602 0.228 25150 11956 1 18 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.903 0.107 25150 11957 1 18 . 1 1 102 102 ALA H H 102 7.290 7.290 7.356 -0.066 25150 11958 1 18 . 1 1 103 103 LEU N N 103 119.365 119.365 118.027 1.338 25150 11959 1 18 . 1 1 103 103 LEU CA C 103 54.210 54.210 53.726 0.484 25150 11960 1 18 . 1 1 103 103 LEU CB C 103 41.710 41.710 43.011 -1.301 25150 11961 1 18 . 1 1 103 103 LEU H H 103 7.263 7.263 7.218 0.045 25150 11962 1 18 . 1 1 104 104 SER HA H 104 4.381 4.381 5.351 -0.970 25150 11963 1 18 . 1 1 104 104 SER C C 104 175.278 175.278 175.673 -0.395 25150 11964 1 18 . 1 1 104 104 SER CA C 104 56.500 56.500 55.896 0.604 25150 11965 1 18 . 1 1 104 104 SER CB C 104 66.770 66.770 65.993 0.777 25150 11966 1 18 . 1 1 105 105 VAL N N 105 123.025 123.025 125.736 -2.711 25150 11967 1 18 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.662 -0.050 25150 11968 1 18 . 1 1 105 105 VAL C C 105 179.053 179.053 176.976 2.077 25150 11969 1 18 . 1 1 105 105 VAL CA C 105 68.070 68.070 67.233 0.837 25150 11970 1 18 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.797 -0.177 25150 11971 1 18 . 1 1 105 105 VAL H H 105 9.841 9.841 9.386 0.455 25150 11972 1 18 . 1 1 106 106 GLN N N 106 121.218 121.218 119.581 1.637 25150 11973 1 18 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.990 -0.135 25150 11974 1 18 . 1 1 106 106 GLN C C 106 177.698 177.698 177.925 -0.227 25150 11975 1 18 . 1 1 106 106 GLN CA C 106 61.130 61.130 60.111 1.019 25150 11976 1 18 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.443 -0.213 25150 11977 1 18 . 1 1 106 106 GLN H H 106 9.109 9.109 8.073 1.036 25150 11978 1 18 . 1 1 107 107 SER N N 107 115.531 115.531 113.673 1.858 25150 11979 1 18 . 1 1 107 107 SER C C 107 177.828 177.828 176.488 1.340 25150 11980 1 18 . 1 1 107 107 SER CA C 107 62.500 62.500 61.535 0.966 25150 11981 1 18 . 1 1 107 107 SER CB C 107 62.670 62.670 62.258 0.412 25150 11982 1 18 . 1 1 107 107 SER H H 107 8.209 8.209 7.578 0.631 25150 11983 1 18 . 1 1 108 108 VAL N N 108 123.756 123.756 123.178 0.578 25150 11984 1 18 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.783 -0.122 25150 11985 1 18 . 1 1 108 108 VAL C C 108 178.087 178.087 178.030 0.057 25150 11986 1 18 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.873 0.097 25150 11987 1 18 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.836 -0.126 25150 11988 1 18 . 1 1 108 108 VAL H H 108 8.256 8.256 8.256 -0.000 25150 11989 1 18 . 1 1 109 109 CYS N N 109 118.175 118.175 118.477 -0.302 25150 11990 1 18 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.148 -0.213 25150 11991 1 18 . 1 1 109 109 CYS C C 109 176.918 176.918 176.780 0.138 25150 11992 1 18 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.799 1.091 25150 11993 1 18 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.702 1.098 25150 11994 1 18 . 1 1 109 109 CYS H H 109 8.781 8.781 8.371 0.410 25150 11995 1 18 . 1 1 110 110 LEU N N 110 118.491 118.491 120.613 -2.122 25150 11996 1 18 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.888 0.222 25150 11997 1 18 . 1 1 110 110 LEU C C 110 180.150 180.150 179.073 1.077 25150 11998 1 18 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.432 0.048 25150 11999 1 18 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.477 -0.467 25150 12000 1 18 . 1 1 110 110 LEU H H 110 8.543 8.543 8.566 -0.023 25150 12001 1 18 . 1 1 111 111 SER N N 111 117.917 117.917 115.846 2.071 25150 12002 1 18 . 1 1 111 111 SER C C 111 177.009 177.009 176.686 0.323 25150 12003 1 18 . 1 1 111 111 SER CA C 111 63.050 63.050 62.606 0.444 25150 12004 1 18 . 1 1 111 111 SER CB C 111 62.980 62.980 62.770 0.210 25150 12005 1 18 . 1 1 111 111 SER H H 111 8.181 8.181 8.026 0.155 25150 12006 1 18 . 1 1 112 112 ILE N N 112 124.764 124.764 122.576 2.188 25150 12007 1 18 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.581 0.092 25150 12008 1 18 . 1 1 112 112 ILE C C 112 177.441 177.441 177.488 -0.047 25150 12009 1 18 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.789 -0.359 25150 12010 1 18 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.954 -0.004 25150 12011 1 18 . 1 1 112 112 ILE H H 112 8.249 8.249 8.242 0.007 25150 12012 1 18 . 1 1 113 113 ILE N N 113 121.123 121.123 120.567 0.556 25150 12013 1 18 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.680 -0.084 25150 12014 1 18 . 1 1 113 113 ILE C C 113 179.525 179.525 177.435 2.090 25150 12015 1 18 . 1 1 113 113 ILE CA C 113 66.260 66.260 64.240 2.020 25150 12016 1 18 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.976 0.804 25150 12017 1 18 . 1 1 113 113 ILE H H 113 8.415 8.415 8.193 0.222 25150 12018 1 18 . 1 1 114 114 SER N N 114 115.247 115.247 116.749 -1.502 25150 12019 1 18 . 1 1 114 114 SER HA H 114 4.300 4.300 4.184 0.116 25150 12020 1 18 . 1 1 114 114 SER C C 114 176.915 176.915 176.689 0.226 25150 12021 1 18 . 1 1 114 114 SER CA C 114 61.510 61.510 62.121 -0.611 25150 12022 1 18 . 1 1 114 114 SER CB C 114 62.990 62.990 62.987 0.003 25150 12023 1 18 . 1 1 114 114 SER H H 114 8.241 8.241 8.187 0.054 25150 12024 1 18 . 1 1 115 115 MET N N 115 122.921 122.921 122.155 0.766 25150 12025 1 18 . 1 1 115 115 MET C C 115 179.552 179.552 178.578 0.974 25150 12026 1 18 . 1 1 115 115 MET CA C 115 59.030 59.030 56.815 2.215 25150 12027 1 18 . 1 1 115 115 MET CB C 115 33.040 33.040 31.732 1.308 25150 12028 1 18 . 1 1 115 115 MET H H 115 8.216 8.216 8.212 0.004 25150 12029 1 18 . 1 1 116 116 LEU N N 116 120.553 120.553 118.759 1.794 25150 12030 1 18 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.834 0.243 25150 12031 1 18 . 1 1 116 116 LEU C C 116 179.264 179.264 179.361 -0.097 25150 12032 1 18 . 1 1 116 116 LEU CA C 116 58.770 58.770 56.921 1.849 25150 12033 1 18 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.188 -0.558 25150 12034 1 18 . 1 1 116 116 LEU H H 116 7.981 7.981 8.041 -0.060 25150 12035 1 18 . 1 1 117 117 SER N N 117 114.100 114.100 111.100 3.000 25150 12036 1 18 . 1 1 117 117 SER HA H 117 4.342 4.342 4.303 0.039 25150 12037 1 18 . 1 1 117 117 SER C C 117 175.042 175.042 174.556 0.486 25150 12038 1 18 . 1 1 117 117 SER CA C 117 61.700 61.700 60.366 1.334 25150 12039 1 18 . 1 1 117 117 SER CB C 117 63.120 63.120 64.041 -0.921 25150 12040 1 18 . 1 1 117 117 SER H H 117 8.467 8.467 7.923 0.544 25150 12041 1 18 . 1 1 118 118 SER N N 118 113.628 113.628 115.245 -1.617 25150 12042 1 18 . 1 1 118 118 SER HA H 118 4.485 4.485 4.523 -0.038 25150 12043 1 18 . 1 1 118 118 SER C C 118 174.142 174.142 173.417 0.725 25150 12044 1 18 . 1 1 118 118 SER CA C 118 59.000 59.000 58.210 0.790 25150 12045 1 18 . 1 1 118 118 SER CB C 118 64.040 64.040 64.410 -0.370 25150 12046 1 18 . 1 1 118 118 SER H H 118 8.037 8.037 7.705 0.332 25150 12047 1 18 . 1 1 119 119 CYS N N 119 122.293 122.293 127.441 -5.148 25150 12048 1 18 . 1 1 119 119 CYS CA C 119 59.190 59.190 60.606 -1.416 25150 12049 1 18 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.205 0.065 25150 12050 1 18 . 1 1 119 119 CYS H H 119 7.250 7.250 8.850 -1.600 25150 12051 1 18 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.456 0.084 25150 12052 1 18 . 1 1 120 120 LYS C C 120 176.345 176.345 176.487 -0.142 25150 12053 1 18 . 1 1 120 120 LYS CA C 120 65.050 65.050 55.566 9.484 25150 12054 1 18 . 1 1 120 120 LYS CB C 120 33.550 33.550 31.568 1.982 25150 12055 1 18 . 1 1 121 121 GLU N N 121 120.936 120.936 121.665 -0.729 25150 12056 1 18 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.433 -0.204 25150 12057 1 18 . 1 1 121 121 GLU C C 121 174.053 174.053 175.980 -1.927 25150 12058 1 18 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.373 -0.183 25150 12059 1 18 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.415 2.275 25150 12060 1 18 . 1 1 121 121 GLU H H 121 7.700 7.700 7.635 0.065 25150 12061 1 18 . 1 1 122 122 LYS N N 122 127.472 127.472 122.381 5.091 25150 12062 1 18 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.302 -0.440 25150 12063 1 18 . 1 1 122 122 LYS C C 122 174.440 174.440 176.395 -1.955 25150 12064 1 18 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.697 1.583 25150 12065 1 18 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.205 -0.795 25150 12066 1 18 . 1 1 122 122 LYS H H 122 8.890 8.890 8.443 0.447 25150 12067 1 18 . 1 1 123 123 ARG N N 123 123.268 123.268 119.163 4.105 25150 12068 1 18 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.556 -0.286 25150 12069 1 18 . 1 1 123 123 ARG C C 123 172.653 172.653 175.023 -2.370 25150 12070 1 18 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.522 -0.942 25150 12071 1 18 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.810 0.420 25150 12072 1 18 . 1 1 123 123 ARG H H 123 6.841 6.841 8.301 -1.460 25150 12073 1 18 . 1 1 124 124 ARG N N 124 116.787 116.787 120.712 -3.925 25150 12074 1 18 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.075 0.635 25150 12075 1 18 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.753 -0.673 25150 12076 1 18 . 1 1 124 124 ARG H H 124 8.044 8.044 8.334 -0.290 25150 12077 1 18 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.671 1.129 25150 12078 1 18 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.249 -0.469 25150 12079 1 18 . 1 1 127 127 ASP N N 127 115.165 115.165 120.574 -5.409 25150 12080 1 18 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.733 0.391 25150 12081 1 18 . 1 1 127 127 ASP C C 127 172.871 172.871 176.639 -3.768 25150 12082 1 18 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.131 -0.461 25150 12083 1 18 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.095 -0.955 25150 12084 1 18 . 1 1 127 127 ASP H H 127 8.711 8.711 8.343 0.368 25150 12085 1 18 . 1 1 128 128 ASN N N 128 127.858 127.858 124.006 3.852 25150 12086 1 18 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.204 1.276 25150 12087 1 18 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.687 -0.127 25150 12088 1 18 . 1 1 128 128 ASN H H 128 8.502 8.502 8.435 0.067 25150 12089 1 18 . 1 1 129 129 SER C C 129 176.346 176.346 176.268 0.078 25150 12090 1 18 . 1 1 129 129 SER CA C 129 62.330 62.330 61.455 0.875 25150 12091 1 18 . 1 1 130 130 PHE N N 130 121.897 121.897 124.839 -2.942 25150 12092 1 18 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.194 -0.074 25150 12093 1 18 . 1 1 130 130 PHE C C 130 177.740 177.740 177.026 0.714 25150 12094 1 18 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.855 -0.895 25150 12095 1 18 . 1 1 130 130 PHE CB C 130 39.760 39.760 39.019 0.741 25150 12096 1 18 . 1 1 130 130 PHE H H 130 8.022 8.022 8.572 -0.550 25150 12097 1 18 . 1 1 131 131 TYR N N 131 122.173 122.173 120.887 1.286 25150 12098 1 18 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.025 -0.279 25150 12099 1 18 . 1 1 131 131 TYR C C 131 178.140 178.140 176.822 1.318 25150 12100 1 18 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.605 0.685 25150 12101 1 18 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.461 1.079 25150 12102 1 18 . 1 1 131 131 TYR H H 131 8.871 8.871 7.988 0.883 25150 12103 1 18 . 1 1 132 132 VAL N N 132 116.993 116.993 116.485 0.508 25150 12104 1 18 . 1 1 132 132 VAL C C 132 178.082 178.082 178.752 -0.670 25150 12105 1 18 . 1 1 132 132 VAL CA C 132 66.330 66.330 65.839 0.491 25150 12106 1 18 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.607 -0.157 25150 12107 1 18 . 1 1 132 132 VAL H H 132 8.551 8.551 7.864 0.687 25150 12108 1 18 . 1 1 133 133 ARG N N 133 118.860 118.860 119.796 -0.936 25150 12109 1 18 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.031 -0.051 25150 12110 1 18 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.381 -0.131 25150 12111 1 18 . 1 1 133 133 ARG H H 133 7.545 7.545 8.434 -0.889 25150 12112 1 18 . 1 1 134 134 THR CA C 134 62.280 62.280 60.387 1.893 25150 12113 1 18 . 1 1 134 134 THR CB C 134 69.790 69.790 68.257 1.533 25150 12114 1 18 . 1 1 135 135 CYS N N 135 125.959 125.959 123.366 2.593 25150 12115 1 18 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.109 -0.349 25150 12116 1 18 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.780 11.230 25150 12117 1 18 . 1 1 135 135 CYS H H 135 7.881 7.881 7.293 0.588 25150 12118 1 18 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.703 -0.693 25150 12119 1 18 . 1 1 136 136 ASN C C 136 177.768 177.768 175.459 2.309 25150 12120 1 18 . 1 1 136 136 ASN CA C 136 54.160 54.160 53.125 1.035 25150 12121 1 18 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.795 -0.325 25150 12122 1 18 . 1 1 137 137 LYS N N 137 119.224 119.224 122.942 -3.718 25150 12123 1 18 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.354 -0.158 25150 12124 1 18 . 1 1 137 137 LYS C C 137 176.185 176.185 176.578 -0.393 25150 12125 1 18 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.996 0.984 25150 12126 1 18 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.181 0.689 25150 12127 1 18 . 1 1 137 137 LYS H H 137 7.678 7.678 8.435 -0.757 25150 12128 1 18 . 1 1 138 138 ASN N N 138 117.174 117.174 121.054 -3.880 25150 12129 1 18 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.238 0.292 25150 12130 1 18 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.892 0.049 25150 12131 1 18 . 1 1 138 138 ASN H H 138 7.969 7.969 8.271 -0.302 25150 12132 1 18 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.216 0.182 25150 12133 1 18 . 1 1 139 139 PRO C C 139 177.335 177.335 176.125 1.210 25150 12134 1 18 . 1 1 139 139 PRO CA C 139 63.850 63.850 64.222 -0.373 25150 12135 1 18 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.526 -0.416 25150 12136 1 18 . 1 1 140 140 LYS N N 140 118.218 118.218 115.263 2.955 25150 12137 1 18 . 1 1 140 140 LYS HA H 140 32.650 32.650 3.936 28.714 25150 12138 1 18 . 1 1 140 140 LYS C C 140 176.564 176.564 175.546 1.018 25150 12139 1 18 . 1 1 140 140 LYS CA C 140 56.990 56.990 57.006 -0.016 25150 12140 1 18 . 1 1 140 140 LYS H H 140 8.108 8.108 8.729 -0.621 25150 12141 1 18 . 1 1 141 141 LYS N N 141 119.276 119.276 116.161 3.115 25150 12142 1 18 . 1 1 141 141 LYS C C 141 177.924 177.924 175.536 2.388 25150 12143 1 18 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.772 -0.672 25150 12144 1 18 . 1 1 141 141 LYS CB C 141 29.780 29.780 31.228 -1.448 25150 12145 1 18 . 1 1 141 141 LYS H H 141 8.135 8.135 8.574 -0.439 25150 12146 1 18 . 1 1 142 142 THR N N 142 115.380 115.380 114.180 1.200 25150 12147 1 18 . 1 1 142 142 THR CA C 142 61.850 61.850 63.463 -1.613 25150 12148 1 18 . 1 1 142 142 THR CB C 142 69.660 69.660 68.777 0.883 25150 12149 1 18 . 1 1 142 142 THR H H 142 8.030 8.030 8.001 0.029 25150 12150 1 18 . 1 1 143 143 LYS C C 143 178.955 178.955 175.850 3.105 25150 12151 1 18 . 1 1 144 144 TRP N N 144 120.470 120.470 120.337 0.133 25150 12152 1 18 . 1 1 144 144 TRP C C 144 176.557 176.557 174.971 1.586 25150 12153 1 18 . 1 1 144 144 TRP CA C 144 57.870 57.870 55.916 1.954 25150 12154 1 18 . 1 1 144 144 TRP CB C 144 33.000 33.000 30.358 2.642 25150 12155 1 18 . 1 1 144 144 TRP H H 144 8.094 8.094 7.404 0.690 25150 12156 1 18 . 1 1 145 145 TRP N N 145 120.330 120.330 122.896 -2.566 25150 12157 1 18 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.389 0.730 25150 12158 1 18 . 1 1 145 145 TRP CB C 145 32.850 32.850 31.165 1.685 25150 12159 1 18 . 1 1 145 145 TRP H H 145 8.488 8.488 8.161 0.327 25150 12160 1 18 . 1 1 146 146 TYR C C 146 174.706 174.706 175.106 -0.400 25150 12161 1 18 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.197 0.233 25150 12162 1 18 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.910 -1.170 25150 12163 1 18 . 1 1 147 147 HIS N N 147 121.604 121.604 121.793 -0.189 25150 12164 1 18 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.882 -0.696 25150 12165 1 18 . 1 1 147 147 HIS C C 147 176.874 176.874 174.592 2.282 25150 12166 1 18 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.989 0.251 25150 12167 1 18 . 1 1 147 147 HIS CB C 147 31.200 31.200 32.597 -1.397 25150 12168 1 18 . 1 1 147 147 HIS H H 147 7.886 7.886 8.610 -0.724 25150 12169 1 18 . 1 1 148 148 ASP N N 148 122.629 122.629 122.092 0.537 25150 12170 1 18 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.782 -0.238 25150 12171 1 18 . 1 1 148 148 ASP C C 148 175.661 175.661 175.587 0.074 25150 12172 1 18 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.294 -0.114 25150 12173 1 18 . 1 1 148 148 ASP CB C 148 41.680 41.680 41.605 0.075 25150 12174 1 18 . 1 1 148 148 ASP H H 148 8.109 8.109 8.756 -0.647 25150 12175 1 18 . 1 1 149 149 ASP N N 149 121.321 121.321 121.242 0.079 25150 12176 1 18 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.660 -0.006 25150 12177 1 18 . 1 1 149 149 ASP C C 149 176.551 176.551 176.604 -0.053 25150 12178 1 18 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.263 0.347 25150 12179 1 18 . 1 1 149 149 ASP CB C 149 41.360 41.360 39.946 1.414 25150 12180 1 18 . 1 1 149 149 ASP H H 149 8.395 8.395 8.253 0.142 25150 12181 1 18 . 1 1 150 150 THR N N 150 113.450 113.450 115.931 -2.481 25150 12182 1 18 . 1 1 150 150 THR HA H 150 4.296 4.296 4.423 -0.127 25150 12183 1 18 . 1 1 150 150 THR C C 150 173.994 173.994 175.311 -1.317 25150 12184 1 18 . 1 1 150 150 THR CA C 150 62.310 62.310 61.350 0.960 25150 12185 1 18 . 1 1 150 150 THR CB C 150 69.870 69.870 68.693 1.177 25150 12186 1 18 . 1 1 150 150 THR H H 150 8.259 8.259 8.126 0.133 25150 12187 1 19 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.020 0.274 25150 12188 1 19 . 1 1 6 6 LYS C C 6 176.970 176.970 179.056 -2.086 25150 12189 1 19 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.766 -1.396 25150 12190 1 19 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.272 0.208 25150 12191 1 19 . 1 1 7 7 ARG N N 7 119.704 119.704 119.743 -0.039 25150 12192 1 19 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.059 0.139 25150 12193 1 19 . 1 1 7 7 ARG C C 7 178.270 178.270 178.252 0.018 25150 12194 1 19 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.328 0.702 25150 12195 1 19 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.518 -0.958 25150 12196 1 19 . 1 1 7 7 ARG H H 7 8.599 8.599 8.021 0.578 25150 12197 1 19 . 1 1 8 8 LEU N N 8 119.704 119.704 121.288 -1.584 25150 12198 1 19 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.942 0.148 25150 12199 1 19 . 1 1 8 8 LEU C C 8 178.980 178.980 178.140 0.840 25150 12200 1 19 . 1 1 8 8 LEU CA C 8 58.290 58.290 58.283 0.007 25150 12201 1 19 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.375 0.685 25150 12202 1 19 . 1 1 8 8 LEU H H 8 8.599 8.599 8.185 0.414 25150 12203 1 19 . 1 1 9 9 GLN N N 9 117.512 117.512 118.275 -0.763 25150 12204 1 19 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.703 0.334 25150 12205 1 19 . 1 1 9 9 GLN C C 9 178.610 178.610 178.232 0.378 25150 12206 1 19 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.441 -0.131 25150 12207 1 19 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.508 -0.028 25150 12208 1 19 . 1 1 9 9 GLN H H 9 8.066 8.066 8.411 -0.345 25150 12209 1 19 . 1 1 10 10 LYS N N 10 119.556 119.556 119.193 0.363 25150 12210 1 19 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.891 0.189 25150 12211 1 19 . 1 1 10 10 LYS C C 10 180.040 180.040 179.299 0.741 25150 12212 1 19 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.702 -0.022 25150 12213 1 19 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.212 0.248 25150 12214 1 19 . 1 1 10 10 LYS H H 10 7.678 7.678 7.918 -0.240 25150 12215 1 19 . 1 1 11 11 GLU N N 11 120.347 120.347 119.503 0.844 25150 12216 1 19 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.072 0.104 25150 12217 1 19 . 1 1 11 11 GLU C C 11 178.770 178.770 179.100 -0.330 25150 12218 1 19 . 1 1 11 11 GLU CA C 11 61.040 61.040 58.797 2.243 25150 12219 1 19 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.342 1.318 25150 12220 1 19 . 1 1 11 11 GLU H H 11 8.533 8.533 8.068 0.465 25150 12221 1 19 . 1 1 12 12 LEU N N 12 123.285 123.285 120.457 2.828 25150 12222 1 19 . 1 1 12 12 LEU C C 12 178.570 178.570 179.053 -0.483 25150 12223 1 19 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.538 0.582 25150 12224 1 19 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.437 -0.357 25150 12225 1 19 . 1 1 12 12 LEU H H 12 8.685 8.685 8.202 0.483 25150 12226 1 19 . 1 1 13 13 LEU N N 13 118.881 118.881 119.870 -0.989 25150 12227 1 19 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.015 -0.018 25150 12228 1 19 . 1 1 13 13 LEU C C 13 179.260 179.260 179.214 0.046 25150 12229 1 19 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.662 0.238 25150 12230 1 19 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.422 0.468 25150 12231 1 19 . 1 1 13 13 LEU H H 13 7.588 7.588 8.291 -0.703 25150 12232 1 19 . 1 1 14 14 ALA N N 14 120.667 120.667 122.394 -1.727 25150 12233 1 19 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.008 0.182 25150 12234 1 19 . 1 1 14 14 ALA C C 14 176.270 176.270 179.592 -3.322 25150 12235 1 19 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.095 0.095 25150 12236 1 19 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.198 -0.168 25150 12237 1 19 . 1 1 14 14 ALA H H 14 7.617 7.617 8.055 -0.438 25150 12238 1 19 . 1 1 15 15 LEU N N 15 119.965 119.965 120.781 -0.816 25150 12239 1 19 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.391 0.059 25150 12240 1 19 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.760 0.500 25150 12241 1 19 . 1 1 15 15 LEU H H 15 7.726 7.726 8.014 -0.288 25150 12242 1 19 . 1 1 16 16 GLN N N 16 115.381 115.381 117.110 -1.729 25150 12243 1 19 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.030 -0.052 25150 12244 1 19 . 1 1 16 16 GLN C C 16 177.950 177.950 178.118 -0.168 25150 12245 1 19 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.366 0.094 25150 12246 1 19 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.940 0.850 25150 12247 1 19 . 1 1 16 16 GLN H H 16 8.028 8.028 8.185 -0.158 25150 12248 1 19 . 1 1 17 17 ASN N N 17 114.975 114.975 116.667 -1.692 25150 12249 1 19 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.584 0.046 25150 12250 1 19 . 1 1 17 17 ASN C C 17 175.303 175.303 175.484 -0.181 25150 12251 1 19 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.175 -0.295 25150 12252 1 19 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.140 0.710 25150 12253 1 19 . 1 1 17 17 ASN H H 17 8.136 8.136 8.029 0.107 25150 12254 1 19 . 1 1 18 18 ASP N N 18 119.698 119.698 117.966 1.732 25150 12255 1 19 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.321 1.139 25150 12256 1 19 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.298 -0.788 25150 12257 1 19 . 1 1 18 18 ASP H H 18 8.218 8.218 8.012 0.206 25150 12258 1 19 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.366 -0.051 25150 12259 1 19 . 1 1 21 21 PRO C C 21 177.867 177.867 177.811 0.056 25150 12260 1 19 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.125 -0.305 25150 12261 1 19 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.698 -0.128 25150 12262 1 19 . 1 1 22 22 GLY N N 22 111.293 111.293 111.670 -0.377 25150 12263 1 19 . 1 1 22 22 GLY C C 22 174.342 174.342 173.917 0.425 25150 12264 1 19 . 1 1 22 22 GLY CA C 22 45.990 45.990 44.965 1.025 25150 12265 1 19 . 1 1 22 22 GLY H H 22 8.506 8.506 8.594 -0.088 25150 12266 1 19 . 1 1 23 23 MET N N 23 118.966 118.966 121.315 -2.349 25150 12267 1 19 . 1 1 23 23 MET HA H 23 5.699 5.699 5.208 0.491 25150 12268 1 19 . 1 1 23 23 MET C C 23 175.386 175.386 174.827 0.559 25150 12269 1 19 . 1 1 23 23 MET CA C 23 55.270 55.270 55.001 0.269 25150 12270 1 19 . 1 1 23 23 MET CB C 23 35.890 35.890 34.956 0.934 25150 12271 1 19 . 1 1 23 23 MET H H 23 8.017 8.017 7.705 0.312 25150 12272 1 19 . 1 1 24 24 THR N N 24 112.647 112.647 122.908 -10.261 25150 12273 1 19 . 1 1 24 24 THR HA H 24 4.596 4.596 4.697 -0.101 25150 12274 1 19 . 1 1 24 24 THR C C 24 173.407 173.407 173.450 -0.043 25150 12275 1 19 . 1 1 24 24 THR CA C 24 60.850 60.850 61.624 -0.774 25150 12276 1 19 . 1 1 24 24 THR CB C 24 72.360 72.360 70.444 1.916 25150 12277 1 19 . 1 1 24 24 THR H H 24 8.565 8.565 9.162 -0.597 25150 12278 1 19 . 1 1 25 25 LEU N N 25 126.920 126.920 128.572 -1.652 25150 12279 1 19 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.388 -0.092 25150 12280 1 19 . 1 1 25 25 LEU C C 25 175.624 175.624 175.844 -0.220 25150 12281 1 19 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.949 1.221 25150 12282 1 19 . 1 1 25 25 LEU CB C 25 42.710 42.710 41.041 1.669 25150 12283 1 19 . 1 1 25 25 LEU H H 25 9.189 9.189 8.756 0.433 25150 12284 1 19 . 1 1 26 26 ASN N N 26 127.108 127.108 123.405 3.703 25150 12285 1 19 . 1 1 26 26 ASN C C 26 173.783 173.783 173.422 0.361 25150 12286 1 19 . 1 1 26 26 ASN CA C 26 54.100 54.100 51.504 2.596 25150 12287 1 19 . 1 1 26 26 ASN CB C 26 40.370 40.370 42.480 -2.110 25150 12288 1 19 . 1 1 26 26 ASN H H 26 9.000 9.000 8.484 0.516 25150 12289 1 19 . 1 1 27 27 GLU N N 27 108.990 108.990 115.746 -6.756 25150 12290 1 19 . 1 1 27 27 GLU CA C 27 56.610 56.610 55.639 0.971 25150 12291 1 19 . 1 1 27 27 GLU H H 27 7.631 7.631 8.443 -0.812 25150 12292 1 19 . 1 1 30 30 VAL C C 30 177.011 177.011 176.662 0.349 25150 12293 1 19 . 1 1 30 30 VAL CA C 30 55.230 55.230 64.123 -8.893 25150 12294 1 19 . 1 1 30 30 VAL CB C 30 30.860 30.860 31.755 -0.895 25150 12295 1 19 . 1 1 31 31 GLN N N 31 125.960 125.960 119.232 6.728 25150 12296 1 19 . 1 1 31 31 GLN CA C 31 58.430 58.430 55.478 2.952 25150 12297 1 19 . 1 1 31 31 GLN CB C 31 29.130 29.130 30.141 -1.011 25150 12298 1 19 . 1 1 31 31 GLN H H 31 7.880 7.880 8.033 -0.153 25150 12299 1 19 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.221 0.439 25150 12300 1 19 . 1 1 34 34 ILE C C 34 178.642 178.642 176.293 2.349 25150 12301 1 19 . 1 1 34 34 ILE CA C 34 54.970 54.970 62.883 -7.913 25150 12302 1 19 . 1 1 34 34 ILE CB C 34 42.000 42.000 37.423 4.577 25150 12303 1 19 . 1 1 35 35 THR N N 35 110.980 110.980 111.717 -0.737 25150 12304 1 19 . 1 1 35 35 THR CA C 35 61.070 61.070 63.090 -2.020 25150 12305 1 19 . 1 1 35 35 THR CB C 35 69.090 69.090 69.698 -0.608 25150 12306 1 19 . 1 1 35 35 THR H H 35 7.825 7.825 7.922 -0.097 25150 12307 1 19 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.889 0.735 25150 12308 1 19 . 1 1 36 36 GLN C C 36 174.178 174.178 173.985 0.193 25150 12309 1 19 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.540 0.550 25150 12310 1 19 . 1 1 36 36 GLN CB C 36 32.290 32.290 28.404 3.886 25150 12311 1 19 . 1 1 37 37 TRP N N 37 123.942 123.942 126.447 -2.505 25150 12312 1 19 . 1 1 37 37 TRP HA H 37 5.576 5.576 4.981 0.595 25150 12313 1 19 . 1 1 37 37 TRP C C 37 174.959 174.959 173.256 1.703 25150 12314 1 19 . 1 1 37 37 TRP CA C 37 53.630 53.630 57.072 -3.442 25150 12315 1 19 . 1 1 37 37 TRP CB C 37 32.950 32.950 33.468 -0.518 25150 12316 1 19 . 1 1 37 37 TRP H H 37 9.242 9.242 8.912 0.330 25150 12317 1 19 . 1 1 38 38 ILE N N 38 121.559 121.559 125.193 -3.634 25150 12318 1 19 . 1 1 38 38 ILE HA H 38 5.279 5.279 4.850 0.429 25150 12319 1 19 . 1 1 38 38 ILE CA C 38 59.430 59.430 59.496 -0.066 25150 12320 1 19 . 1 1 38 38 ILE CB C 38 39.240 39.240 41.024 -1.784 25150 12321 1 19 . 1 1 38 38 ILE H H 38 8.778 8.778 8.138 0.640 25150 12322 1 19 . 1 1 39 39 VAL N N 39 128.719 128.719 126.758 1.961 25150 12323 1 19 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.567 0.014 25150 12324 1 19 . 1 1 39 39 VAL C C 39 175.175 175.175 174.719 0.456 25150 12325 1 19 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.278 0.972 25150 12326 1 19 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.120 1.730 25150 12327 1 19 . 1 1 39 39 VAL H H 39 9.533 9.533 8.700 0.833 25150 12328 1 19 . 1 1 40 40 ASP N N 40 128.451 128.451 128.440 0.011 25150 12329 1 19 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.630 -0.412 25150 12330 1 19 . 1 1 40 40 ASP C C 40 175.157 175.157 175.300 -0.143 25150 12331 1 19 . 1 1 40 40 ASP CA C 40 55.310 55.310 52.842 2.468 25150 12332 1 19 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.552 -1.052 25150 12333 1 19 . 1 1 40 40 ASP H H 40 9.165 9.165 8.609 0.556 25150 12334 1 19 . 1 1 41 41 MET N N 41 120.544 120.544 119.960 0.584 25150 12335 1 19 . 1 1 41 41 MET HA H 41 5.467 5.467 5.536 -0.069 25150 12336 1 19 . 1 1 41 41 MET C C 41 173.590 173.590 174.824 -1.234 25150 12337 1 19 . 1 1 41 41 MET CA C 41 54.610 54.610 54.316 0.294 25150 12338 1 19 . 1 1 41 41 MET CB C 41 37.490 37.490 38.584 -1.094 25150 12339 1 19 . 1 1 41 41 MET H H 41 8.756 8.756 9.009 -0.253 25150 12340 1 19 . 1 1 42 42 GLU N N 42 125.740 125.740 122.287 3.453 25150 12341 1 19 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.302 -0.292 25150 12342 1 19 . 1 1 42 42 GLU C C 42 177.323 177.323 177.282 0.041 25150 12343 1 19 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.090 0.390 25150 12344 1 19 . 1 1 42 42 GLU CB C 42 32.260 32.260 33.201 -0.941 25150 12345 1 19 . 1 1 42 42 GLU H H 42 8.706 8.706 8.555 0.151 25150 12346 1 19 . 1 1 43 43 GLY N N 43 111.314 111.314 112.931 -1.617 25150 12347 1 19 . 1 1 43 43 GLY C C 43 174.121 174.121 173.746 0.375 25150 12348 1 19 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.107 0.283 25150 12349 1 19 . 1 1 43 43 GLY H H 43 8.917 8.917 8.746 0.171 25150 12350 1 19 . 1 1 44 44 ALA N N 44 128.665 128.665 126.905 1.760 25150 12351 1 19 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.532 0.528 25150 12352 1 19 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.653 -0.183 25150 12353 1 19 . 1 1 44 44 ALA H H 44 8.918 8.918 8.674 0.244 25150 12354 1 19 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.120 0.180 25150 12355 1 19 . 1 1 45 45 PRO C C 45 177.598 177.598 177.603 -0.005 25150 12356 1 19 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.466 -1.056 25150 12357 1 19 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.343 0.447 25150 12358 1 19 . 1 1 46 46 GLY N N 46 111.319 111.319 113.284 -1.965 25150 12359 1 19 . 1 1 46 46 GLY C C 46 174.290 174.290 174.715 -0.425 25150 12360 1 19 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.233 0.677 25150 12361 1 19 . 1 1 46 46 GLY H H 46 9.449 9.449 9.303 0.146 25150 12362 1 19 . 1 1 47 47 THR N N 47 107.981 107.981 112.478 -4.497 25150 12363 1 19 . 1 1 47 47 THR HA H 47 4.801 4.801 4.632 0.169 25150 12364 1 19 . 1 1 47 47 THR C C 47 176.158 176.158 175.997 0.161 25150 12365 1 19 . 1 1 47 47 THR CA C 47 60.380 60.380 59.976 0.404 25150 12366 1 19 . 1 1 47 47 THR CB C 47 73.420 73.420 71.058 2.362 25150 12367 1 19 . 1 1 47 47 THR H H 47 7.426 7.426 7.516 -0.090 25150 12368 1 19 . 1 1 48 48 LEU N N 48 119.132 119.132 120.552 -1.420 25150 12369 1 19 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.119 -0.062 25150 12370 1 19 . 1 1 48 48 LEU C C 48 175.907 175.907 177.135 -1.228 25150 12371 1 19 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.704 -0.214 25150 12372 1 19 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.210 0.410 25150 12373 1 19 . 1 1 48 48 LEU H H 48 8.966 8.966 8.865 0.101 25150 12374 1 19 . 1 1 49 49 TYR N N 49 113.649 113.649 115.389 -1.740 25150 12375 1 19 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.819 0.006 25150 12376 1 19 . 1 1 49 49 TYR C C 49 174.634 174.634 175.673 -1.039 25150 12377 1 19 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.790 -0.680 25150 12378 1 19 . 1 1 49 49 TYR CB C 49 38.390 38.390 39.029 -0.639 25150 12379 1 19 . 1 1 49 49 TYR H H 49 7.205 7.205 7.799 -0.594 25150 12380 1 19 . 1 1 50 50 GLU N N 50 122.006 122.006 121.741 0.265 25150 12381 1 19 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.209 -0.732 25150 12382 1 19 . 1 1 50 50 GLU C C 50 177.182 177.182 177.543 -0.361 25150 12383 1 19 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.262 -0.162 25150 12384 1 19 . 1 1 50 50 GLU CB C 50 30.040 30.040 28.769 1.271 25150 12385 1 19 . 1 1 50 50 GLU H H 50 6.934 6.934 7.449 -0.515 25150 12386 1 19 . 1 1 51 51 GLY N N 51 115.165 115.165 115.983 -0.818 25150 12387 1 19 . 1 1 51 51 GLY C C 51 173.997 173.997 174.174 -0.177 25150 12388 1 19 . 1 1 51 51 GLY CA C 51 45.500 45.500 45.020 0.480 25150 12389 1 19 . 1 1 51 51 GLY H H 51 8.752 8.752 8.555 0.197 25150 12390 1 19 . 1 1 52 52 GLU N N 52 120.251 120.251 121.996 -1.745 25150 12391 1 19 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.230 -0.260 25150 12392 1 19 . 1 1 52 52 GLU CA C 52 56.440 56.440 56.106 0.334 25150 12393 1 19 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.864 1.836 25150 12394 1 19 . 1 1 52 52 GLU H H 52 7.900 7.900 8.138 -0.238 25150 12395 1 19 . 1 1 53 53 LYS N N 53 120.435 120.435 125.764 -5.329 25150 12396 1 19 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.029 -0.343 25150 12397 1 19 . 1 1 53 53 LYS C C 53 175.285 175.285 175.760 -0.475 25150 12398 1 19 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.949 -0.569 25150 12399 1 19 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.280 0.780 25150 12400 1 19 . 1 1 53 53 LYS H H 53 8.046 8.046 8.326 -0.280 25150 12401 1 19 . 1 1 54 54 PHE N N 54 122.724 122.724 124.766 -2.042 25150 12402 1 19 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.813 0.707 25150 12403 1 19 . 1 1 54 54 PHE C C 54 175.151 175.151 174.580 0.571 25150 12404 1 19 . 1 1 54 54 PHE CA C 54 54.690 54.690 57.052 -2.362 25150 12405 1 19 . 1 1 54 54 PHE CB C 54 43.600 43.600 43.189 0.411 25150 12406 1 19 . 1 1 54 54 PHE H H 54 9.082 9.082 8.943 0.139 25150 12407 1 19 . 1 1 55 55 GLN N N 55 121.971 121.971 121.699 0.272 25150 12408 1 19 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.336 0.015 25150 12409 1 19 . 1 1 55 55 GLN C C 55 173.802 173.802 174.031 -0.229 25150 12410 1 19 . 1 1 55 55 GLN CA C 55 56.200 56.200 55.089 1.111 25150 12411 1 19 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.572 1.748 25150 12412 1 19 . 1 1 55 55 GLN H H 55 10.001 10.001 9.215 0.786 25150 12413 1 19 . 1 1 56 56 LEU N N 56 124.898 124.898 126.269 -1.371 25150 12414 1 19 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.168 -0.476 25150 12415 1 19 . 1 1 56 56 LEU C C 56 174.265 174.265 174.926 -0.661 25150 12416 1 19 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.197 0.223 25150 12417 1 19 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.542 1.147 25150 12418 1 19 . 1 1 56 56 LEU H H 56 9.573 9.573 9.064 0.509 25150 12419 1 19 . 1 1 57 57 LEU N N 57 124.234 124.234 122.786 1.448 25150 12420 1 19 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.029 0.141 25150 12421 1 19 . 1 1 57 57 LEU C C 57 174.551 174.551 174.526 0.025 25150 12422 1 19 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.522 0.148 25150 12423 1 19 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.627 -0.106 25150 12424 1 19 . 1 1 57 57 LEU H H 57 8.890 8.890 8.864 0.026 25150 12425 1 19 . 1 1 58 58 PHE N N 58 124.003 124.003 127.430 -3.427 25150 12426 1 19 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.141 -0.391 25150 12427 1 19 . 1 1 58 58 PHE C C 58 174.407 174.407 175.155 -0.748 25150 12428 1 19 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.887 0.113 25150 12429 1 19 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.916 2.023 25150 12430 1 19 . 1 1 58 58 PHE H H 58 9.134 9.134 9.467 -0.333 25150 12431 1 19 . 1 1 59 59 LYS N N 59 120.089 120.089 123.667 -3.578 25150 12432 1 19 . 1 1 59 59 LYS HA H 59 4.883 4.883 5.013 -0.130 25150 12433 1 19 . 1 1 59 59 LYS C C 59 175.192 175.192 175.461 -0.269 25150 12434 1 19 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.717 0.103 25150 12435 1 19 . 1 1 59 59 LYS CB C 59 35.530 35.530 33.600 1.930 25150 12436 1 19 . 1 1 59 59 LYS H H 59 8.732 8.732 8.633 0.099 25150 12437 1 19 . 1 1 60 60 PHE N N 60 123.988 123.988 124.904 -0.916 25150 12438 1 19 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.328 -0.024 25150 12439 1 19 . 1 1 60 60 PHE C C 60 174.636 174.636 175.668 -1.032 25150 12440 1 19 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.708 -0.458 25150 12441 1 19 . 1 1 60 60 PHE CB C 60 41.160 41.160 39.015 2.145 25150 12442 1 19 . 1 1 60 60 PHE H H 60 8.649 8.649 8.333 0.316 25150 12443 1 19 . 1 1 61 61 SER N N 61 117.599 117.599 120.029 -2.430 25150 12444 1 19 . 1 1 61 61 SER C C 61 174.771 174.771 174.744 0.027 25150 12445 1 19 . 1 1 61 61 SER CA C 61 57.130 57.130 57.077 0.053 25150 12446 1 19 . 1 1 61 61 SER CB C 61 66.030 66.030 64.746 1.284 25150 12447 1 19 . 1 1 61 61 SER H H 61 8.066 8.066 8.307 -0.241 25150 12448 1 19 . 1 1 62 62 SER N N 62 119.994 119.994 114.299 5.695 25150 12449 1 19 . 1 1 62 62 SER CA C 62 61.650 61.650 59.900 1.750 25150 12450 1 19 . 1 1 62 62 SER H H 62 8.265 8.265 8.602 -0.337 25150 12451 1 19 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.386 0.064 25150 12452 1 19 . 1 1 63 63 ARG C C 63 175.086 175.086 176.418 -1.332 25150 12453 1 19 . 1 1 63 63 ARG CA C 63 57.670 57.670 57.115 0.555 25150 12454 1 19 . 1 1 63 63 ARG CB C 63 30.050 30.050 31.393 -1.343 25150 12455 1 19 . 1 1 64 64 TYR N N 64 120.957 120.957 124.161 -3.204 25150 12456 1 19 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.111 1.569 25150 12457 1 19 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.477 -0.757 25150 12458 1 19 . 1 1 64 64 TYR H H 64 7.471 7.471 7.915 -0.444 25150 12459 1 19 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.746 -0.076 25150 12460 1 19 . 1 1 65 65 PRO C C 65 174.345 174.345 175.678 -1.333 25150 12461 1 19 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.363 1.097 25150 12462 1 19 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.324 2.046 25150 12463 1 19 . 1 1 66 66 PHE N N 66 126.070 126.070 121.328 4.742 25150 12464 1 19 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.263 -0.020 25150 12465 1 19 . 1 1 66 66 PHE C C 66 175.867 175.867 174.134 1.733 25150 12466 1 19 . 1 1 66 66 PHE CA C 66 61.080 61.080 61.381 -0.301 25150 12467 1 19 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.721 -1.711 25150 12468 1 19 . 1 1 66 66 PHE H H 66 8.630 8.630 8.276 0.354 25150 12469 1 19 . 1 1 67 67 ASP N N 67 118.021 118.021 115.779 2.242 25150 12470 1 19 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.846 -0.887 25150 12471 1 19 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.101 -47.471 25150 12472 1 19 . 1 1 67 67 ASP CB C 67 34.840 34.840 43.422 -8.582 25150 12473 1 19 . 1 1 67 67 ASP H H 67 7.126 7.126 7.607 -0.481 25150 12474 1 19 . 1 1 68 68 SER N N 68 120.730 120.730 115.957 4.773 25150 12475 1 19 . 1 1 68 68 SER CA C 68 55.750 55.750 55.906 -0.156 25150 12476 1 19 . 1 1 68 68 SER CB C 68 61.900 61.900 63.332 -1.432 25150 12477 1 19 . 1 1 68 68 SER H H 68 8.091 8.091 8.429 -0.338 25150 12478 1 19 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.292 0.064 25150 12479 1 19 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.374 -0.294 25150 12480 1 19 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.346 0.364 25150 12481 1 19 . 1 1 70 70 GLN N N 70 119.493 119.493 119.522 -0.029 25150 12482 1 19 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.203 -0.133 25150 12483 1 19 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.476 1.014 25150 12484 1 19 . 1 1 70 70 GLN H H 70 8.049 8.049 8.032 0.017 25150 12485 1 19 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.346 0.054 25150 12486 1 19 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.528 -0.718 25150 12487 1 19 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.522 0.318 25150 12488 1 19 . 1 1 72 72 MET N N 72 120.767 120.767 122.309 -1.542 25150 12489 1 19 . 1 1 72 72 MET HA H 72 4.731 4.731 4.768 -0.037 25150 12490 1 19 . 1 1 72 72 MET C C 72 174.779 174.779 174.751 0.028 25150 12491 1 19 . 1 1 72 72 MET CA C 72 54.390 54.390 53.770 0.620 25150 12492 1 19 . 1 1 72 72 MET CB C 72 36.140 36.140 37.592 -1.452 25150 12493 1 19 . 1 1 72 72 MET H H 72 8.245 8.245 8.069 0.176 25150 12494 1 19 . 1 1 73 73 PHE N N 73 120.458 120.458 120.372 0.086 25150 12495 1 19 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.086 0.128 25150 12496 1 19 . 1 1 73 73 PHE C C 73 175.404 175.404 176.377 -0.973 25150 12497 1 19 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.989 0.591 25150 12498 1 19 . 1 1 73 73 PHE CB C 73 40.620 40.620 39.977 0.643 25150 12499 1 19 . 1 1 73 73 PHE H H 73 9.193 9.193 8.633 0.560 25150 12500 1 19 . 1 1 74 74 THR N N 74 113.842 113.842 115.331 -1.489 25150 12501 1 19 . 1 1 74 74 THR HA H 74 4.777 4.777 4.666 0.111 25150 12502 1 19 . 1 1 74 74 THR C C 74 173.551 173.551 174.222 -0.671 25150 12503 1 19 . 1 1 74 74 THR CA C 74 59.580 59.580 60.775 -1.195 25150 12504 1 19 . 1 1 74 74 THR CB C 74 71.300 71.300 71.064 0.236 25150 12505 1 19 . 1 1 74 74 THR H H 74 8.894 8.894 8.836 0.058 25150 12506 1 19 . 1 1 75 75 GLY N N 75 109.259 109.259 114.591 -5.332 25150 12507 1 19 . 1 1 75 75 GLY C C 75 173.980 173.980 174.232 -0.252 25150 12508 1 19 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.096 -0.386 25150 12509 1 19 . 1 1 75 75 GLY H H 75 8.058 8.058 8.290 -0.232 25150 12510 1 19 . 1 1 76 76 GLU N N 76 116.661 116.661 120.842 -4.181 25150 12511 1 19 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.156 -0.015 25150 12512 1 19 . 1 1 76 76 GLU C C 76 176.624 176.624 175.791 0.833 25150 12513 1 19 . 1 1 76 76 GLU CA C 76 58.040 58.040 57.341 0.699 25150 12514 1 19 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.491 1.419 25150 12515 1 19 . 1 1 76 76 GLU H H 76 8.356 8.356 8.649 -0.293 25150 12516 1 19 . 1 1 77 77 ASN N N 77 118.469 118.469 118.820 -0.351 25150 12517 1 19 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.801 0.309 25150 12518 1 19 . 1 1 77 77 ASN C C 77 176.525 176.525 173.247 3.278 25150 12519 1 19 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.685 -0.445 25150 12520 1 19 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.215 0.495 25150 12521 1 19 . 1 1 77 77 ASN H H 77 8.614 8.614 8.104 0.510 25150 12522 1 19 . 1 1 78 78 ILE N N 78 117.605 117.605 123.981 -6.376 25150 12523 1 19 . 1 1 78 78 ILE CA C 78 59.390 59.390 56.676 2.714 25150 12524 1 19 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.041 4.599 25150 12525 1 19 . 1 1 78 78 ILE H H 78 7.736 7.736 8.245 -0.509 25150 12526 1 19 . 1 1 79 79 PRO C C 79 176.134 176.134 176.002 0.132 25150 12527 1 19 . 1 1 79 79 PRO CA C 79 62.830 62.830 61.996 0.834 25150 12528 1 19 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.810 -1.650 25150 12529 1 19 . 1 1 80 80 VAL N N 80 123.378 123.378 121.423 1.955 25150 12530 1 19 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.948 -0.118 25150 12531 1 19 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.822 -1.902 25150 12532 1 19 . 1 1 80 80 VAL H H 80 8.297 8.297 8.574 -0.277 25150 12533 1 19 . 1 1 82 82 PRO C C 82 176.169 176.169 176.303 -0.134 25150 12534 1 19 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.914 -0.204 25150 12535 1 19 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.888 -0.218 25150 12536 1 19 . 1 1 83 83 HIS N N 83 121.199 121.199 112.694 8.505 25150 12537 1 19 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.798 0.043 25150 12538 1 19 . 1 1 83 83 HIS C C 83 173.457 173.457 173.913 -0.456 25150 12539 1 19 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.540 -0.860 25150 12540 1 19 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.495 0.735 25150 12541 1 19 . 1 1 83 83 HIS H H 83 10.996 10.996 8.770 2.226 25150 12542 1 19 . 1 1 84 84 VAL N N 84 121.050 121.050 120.595 0.455 25150 12543 1 19 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.942 -0.165 25150 12544 1 19 . 1 1 84 84 VAL C C 84 175.155 175.155 174.564 0.591 25150 12545 1 19 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.733 0.367 25150 12546 1 19 . 1 1 84 84 VAL CB C 84 34.110 34.110 34.199 -0.089 25150 12547 1 19 . 1 1 84 84 VAL H H 84 8.058 8.058 7.581 0.477 25150 12548 1 19 . 1 1 85 85 TYR N N 85 126.195 126.195 124.135 2.060 25150 12549 1 19 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.876 -0.191 25150 12550 1 19 . 1 1 85 85 TYR C C 85 179.268 179.268 177.517 1.751 25150 12551 1 19 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.165 2.225 25150 12552 1 19 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.420 0.849 25150 12553 1 19 . 1 1 85 85 TYR H H 85 9.136 9.136 9.003 0.133 25150 12554 1 19 . 1 1 86 86 SER N N 86 115.546 115.546 117.725 -2.179 25150 12555 1 19 . 1 1 86 86 SER HA H 86 3.935 3.935 4.199 -0.264 25150 12556 1 19 . 1 1 86 86 SER C C 86 174.309 174.309 174.831 -0.522 25150 12557 1 19 . 1 1 86 86 SER CA C 86 61.890 61.890 60.578 1.312 25150 12558 1 19 . 1 1 86 86 SER CB C 86 62.230 62.230 63.295 -1.065 25150 12559 1 19 . 1 1 86 86 SER H H 86 10.052 10.052 8.938 1.114 25150 12560 1 19 . 1 1 87 87 ASN N N 87 116.470 116.470 115.808 0.662 25150 12561 1 19 . 1 1 87 87 ASN C C 87 175.624 175.624 175.868 -0.244 25150 12562 1 19 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.465 -0.125 25150 12563 1 19 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.899 -0.409 25150 12564 1 19 . 1 1 87 87 ASN H H 87 7.331 7.331 8.148 -0.817 25150 12565 1 19 . 1 1 88 88 GLY N N 88 108.412 108.412 107.547 0.865 25150 12566 1 19 . 1 1 88 88 GLY C C 88 174.247 174.247 174.088 0.159 25150 12567 1 19 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.403 0.507 25150 12568 1 19 . 1 1 88 88 GLY H H 88 8.737 8.737 8.514 0.223 25150 12569 1 19 . 1 1 89 89 HIS N N 89 119.508 119.508 121.823 -2.315 25150 12570 1 19 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.575 -1.275 25150 12571 1 19 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.954 0.905 25150 12572 1 19 . 1 1 89 89 HIS H H 89 7.494 7.494 8.826 -1.332 25150 12573 1 19 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.734 -0.320 25150 12574 1 19 . 1 1 90 90 ILE C C 90 174.510 174.510 175.587 -1.077 25150 12575 1 19 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.075 -1.754 25150 12576 1 19 . 1 1 90 90 ILE CB C 90 39.280 39.280 40.005 -0.725 25150 12577 1 19 . 1 1 91 91 CYS N N 91 123.587 123.587 129.093 -5.506 25150 12578 1 19 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.509 5.071 25150 12579 1 19 . 1 1 91 91 CYS CB C 91 33.390 33.390 27.234 6.156 25150 12580 1 19 . 1 1 91 91 CYS H H 91 7.304 7.304 9.070 -1.766 25150 12581 1 19 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.830 -0.160 25150 12582 1 19 . 1 1 92 92 LEU C C 92 175.822 175.822 176.656 -0.834 25150 12583 1 19 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.904 5.556 25150 12584 1 19 . 1 1 92 92 LEU CB C 92 41.420 41.420 46.015 -4.595 25150 12585 1 19 . 1 1 93 93 SER N N 93 111.707 111.707 122.502 -10.795 25150 12586 1 19 . 1 1 93 93 SER HA H 93 4.331 4.331 4.257 0.074 25150 12587 1 19 . 1 1 93 93 SER C C 93 177.433 177.433 176.425 1.008 25150 12588 1 19 . 1 1 93 93 SER CA C 93 62.150 62.150 60.909 1.241 25150 12589 1 19 . 1 1 93 93 SER H H 93 9.037 9.037 8.845 0.192 25150 12590 1 19 . 1 1 94 94 ILE N N 94 118.993 118.993 119.610 -0.617 25150 12591 1 19 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.052 169.486 25150 12592 1 19 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.711 1.599 25150 12593 1 19 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.837 0.064 25150 12594 1 19 . 1 1 94 94 ILE H H 94 7.859 7.859 7.891 -0.032 25150 12595 1 19 . 1 1 95 95 LEU N N 95 113.763 113.763 115.903 -2.140 25150 12596 1 19 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.426 0.226 25150 12597 1 19 . 1 1 95 95 LEU C C 95 178.458 178.458 176.568 1.890 25150 12598 1 19 . 1 1 95 95 LEU CA C 95 55.330 55.330 53.779 1.552 25150 12599 1 19 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.739 0.341 25150 12600 1 19 . 1 1 95 95 LEU H H 95 7.351 7.351 7.688 -0.337 25150 12601 1 19 . 1 1 96 96 THR N N 96 109.929 109.929 112.072 -2.143 25150 12602 1 19 . 1 1 96 96 THR HA H 96 4.338 4.338 4.604 -0.266 25150 12603 1 19 . 1 1 96 96 THR C C 96 175.947 175.947 175.143 0.804 25150 12604 1 19 . 1 1 96 96 THR CA C 96 60.960 60.960 60.083 0.877 25150 12605 1 19 . 1 1 96 96 THR CB C 96 69.280 69.280 71.057 -1.777 25150 12606 1 19 . 1 1 96 96 THR H H 96 7.794 7.794 7.597 0.197 25150 12607 1 19 . 1 1 97 97 GLU N N 97 123.314 123.314 117.951 5.363 25150 12608 1 19 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.120 0.197 25150 12609 1 19 . 1 1 97 97 GLU C C 97 176.907 176.907 176.947 -0.040 25150 12610 1 19 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.643 0.037 25150 12611 1 19 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.203 1.587 25150 12612 1 19 . 1 1 97 97 GLU H H 97 8.913 8.913 8.722 0.191 25150 12613 1 19 . 1 1 98 98 ASP N N 98 116.420 116.420 117.905 -1.485 25150 12614 1 19 . 1 1 98 98 ASP CA C 98 54.190 54.190 55.021 -0.831 25150 12615 1 19 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.068 0.432 25150 12616 1 19 . 1 1 98 98 ASP H H 98 8.124 8.124 7.744 0.380 25150 12617 1 19 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.516 -0.096 25150 12618 1 19 . 1 1 99 99 TRP C C 99 176.495 176.495 175.119 1.376 25150 12619 1 19 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.018 0.412 25150 12620 1 19 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.255 -0.675 25150 12621 1 19 . 1 1 100 100 SER N N 100 120.993 120.993 120.928 0.065 25150 12622 1 19 . 1 1 100 100 SER CA C 100 55.370 55.370 53.913 1.457 25150 12623 1 19 . 1 1 100 100 SER CB C 100 64.860 64.860 64.490 0.370 25150 12624 1 19 . 1 1 100 100 SER H H 100 5.703 5.703 7.370 -1.667 25150 12625 1 19 . 1 1 101 101 PRO HA H 101 4.193 4.193 3.975 0.218 25150 12626 1 19 . 1 1 101 101 PRO C C 101 175.227 175.227 176.343 -1.116 25150 12627 1 19 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.500 -0.800 25150 12628 1 19 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.671 -0.251 25150 12629 1 19 . 1 1 102 102 ALA N N 102 118.668 118.668 117.921 0.747 25150 12630 1 19 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.096 -0.002 25150 12631 1 19 . 1 1 102 102 ALA C C 102 178.797 178.797 177.880 0.917 25150 12632 1 19 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.576 0.254 25150 12633 1 19 . 1 1 102 102 ALA CB C 102 19.010 19.010 19.048 -0.038 25150 12634 1 19 . 1 1 102 102 ALA H H 102 7.290 7.290 7.257 0.033 25150 12635 1 19 . 1 1 103 103 LEU N N 103 119.365 119.365 118.292 1.073 25150 12636 1 19 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.534 -0.324 25150 12637 1 19 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.792 -1.082 25150 12638 1 19 . 1 1 103 103 LEU H H 103 7.263 7.263 7.170 0.093 25150 12639 1 19 . 1 1 104 104 SER HA H 104 4.381 4.381 4.981 -0.600 25150 12640 1 19 . 1 1 104 104 SER C C 104 175.278 175.278 176.247 -0.969 25150 12641 1 19 . 1 1 104 104 SER CA C 104 56.500 56.500 55.581 0.919 25150 12642 1 19 . 1 1 104 104 SER CB C 104 66.770 66.770 65.510 1.260 25150 12643 1 19 . 1 1 105 105 VAL N N 105 123.025 123.025 121.877 1.148 25150 12644 1 19 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.953 -0.341 25150 12645 1 19 . 1 1 105 105 VAL C C 105 179.053 179.053 177.652 1.401 25150 12646 1 19 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.920 1.150 25150 12647 1 19 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.766 -0.146 25150 12648 1 19 . 1 1 105 105 VAL H H 105 9.841 9.841 8.892 0.949 25150 12649 1 19 . 1 1 106 106 GLN N N 106 121.218 121.218 119.771 1.447 25150 12650 1 19 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.981 -0.126 25150 12651 1 19 . 1 1 106 106 GLN C C 106 177.698 177.698 178.130 -0.432 25150 12652 1 19 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.177 1.953 25150 12653 1 19 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.531 -0.301 25150 12654 1 19 . 1 1 106 106 GLN H H 106 9.109 9.109 8.419 0.690 25150 12655 1 19 . 1 1 107 107 SER N N 107 115.531 115.531 115.759 -0.228 25150 12656 1 19 . 1 1 107 107 SER C C 107 177.828 177.828 176.726 1.102 25150 12657 1 19 . 1 1 107 107 SER CA C 107 62.500 62.500 62.324 0.176 25150 12658 1 19 . 1 1 107 107 SER CB C 107 62.670 62.670 62.530 0.140 25150 12659 1 19 . 1 1 107 107 SER H H 107 8.209 8.209 8.149 0.060 25150 12660 1 19 . 1 1 108 108 VAL N N 108 123.756 123.756 122.188 1.568 25150 12661 1 19 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.802 -0.141 25150 12662 1 19 . 1 1 108 108 VAL C C 108 178.087 178.087 178.076 0.011 25150 12663 1 19 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.755 0.215 25150 12664 1 19 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.861 -0.151 25150 12665 1 19 . 1 1 108 108 VAL H H 108 8.256 8.256 7.827 0.429 25150 12666 1 19 . 1 1 109 109 CYS N N 109 118.175 118.175 118.038 0.137 25150 12667 1 19 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.249 -0.314 25150 12668 1 19 . 1 1 109 109 CYS C C 109 176.918 176.918 176.868 0.050 25150 12669 1 19 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.613 1.277 25150 12670 1 19 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.915 0.885 25150 12671 1 19 . 1 1 109 109 CYS H H 109 8.781 8.781 8.304 0.477 25150 12672 1 19 . 1 1 110 110 LEU N N 110 118.491 118.491 121.972 -3.481 25150 12673 1 19 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.064 0.047 25150 12674 1 19 . 1 1 110 110 LEU C C 110 180.150 180.150 178.189 1.961 25150 12675 1 19 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.204 0.276 25150 12676 1 19 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.604 -0.594 25150 12677 1 19 . 1 1 110 110 LEU H H 110 8.543 8.543 8.743 -0.200 25150 12678 1 19 . 1 1 111 111 SER N N 111 117.917 117.917 116.168 1.749 25150 12679 1 19 . 1 1 111 111 SER C C 111 177.009 177.009 176.954 0.055 25150 12680 1 19 . 1 1 111 111 SER CA C 111 63.050 63.050 62.834 0.216 25150 12681 1 19 . 1 1 111 111 SER CB C 111 62.980 62.980 62.757 0.223 25150 12682 1 19 . 1 1 111 111 SER H H 111 8.181 8.181 8.159 0.022 25150 12683 1 19 . 1 1 112 112 ILE N N 112 124.764 124.764 122.802 1.962 25150 12684 1 19 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.600 0.073 25150 12685 1 19 . 1 1 112 112 ILE C C 112 177.441 177.441 177.654 -0.213 25150 12686 1 19 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.557 -0.127 25150 12687 1 19 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.778 0.172 25150 12688 1 19 . 1 1 112 112 ILE H H 112 8.249 8.249 7.870 0.379 25150 12689 1 19 . 1 1 113 113 ILE N N 113 121.123 121.123 120.461 0.662 25150 12690 1 19 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.527 0.069 25150 12691 1 19 . 1 1 113 113 ILE C C 113 179.525 179.525 178.034 1.491 25150 12692 1 19 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.326 0.934 25150 12693 1 19 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.794 0.986 25150 12694 1 19 . 1 1 113 113 ILE H H 113 8.415 8.415 8.093 0.322 25150 12695 1 19 . 1 1 114 114 SER N N 114 115.247 115.247 114.146 1.101 25150 12696 1 19 . 1 1 114 114 SER HA H 114 4.300 4.300 4.180 0.120 25150 12697 1 19 . 1 1 114 114 SER C C 114 176.915 176.915 176.457 0.458 25150 12698 1 19 . 1 1 114 114 SER CA C 114 61.510 61.510 61.463 0.047 25150 12699 1 19 . 1 1 114 114 SER CB C 114 62.990 62.990 63.378 -0.388 25150 12700 1 19 . 1 1 114 114 SER H H 114 8.241 8.241 8.123 0.118 25150 12701 1 19 . 1 1 115 115 MET N N 115 122.921 122.921 124.144 -1.223 25150 12702 1 19 . 1 1 115 115 MET C C 115 179.552 179.552 178.054 1.498 25150 12703 1 19 . 1 1 115 115 MET CA C 115 59.030 59.030 59.146 -0.116 25150 12704 1 19 . 1 1 115 115 MET CB C 115 33.040 33.040 32.492 0.548 25150 12705 1 19 . 1 1 115 115 MET H H 115 8.216 8.216 8.173 0.043 25150 12706 1 19 . 1 1 116 116 LEU N N 116 120.553 120.553 116.119 4.434 25150 12707 1 19 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.134 -0.057 25150 12708 1 19 . 1 1 116 116 LEU C C 116 179.264 179.264 178.145 1.119 25150 12709 1 19 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.165 1.605 25150 12710 1 19 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.574 -0.944 25150 12711 1 19 . 1 1 116 116 LEU H H 116 7.981 7.981 7.803 0.178 25150 12712 1 19 . 1 1 117 117 SER N N 117 114.100 114.100 112.028 2.072 25150 12713 1 19 . 1 1 117 117 SER HA H 117 4.342 4.342 4.601 -0.259 25150 12714 1 19 . 1 1 117 117 SER C C 117 175.042 175.042 175.859 -0.817 25150 12715 1 19 . 1 1 117 117 SER CA C 117 61.700 61.700 59.598 2.102 25150 12716 1 19 . 1 1 117 117 SER CB C 117 63.120 63.120 64.661 -1.541 25150 12717 1 19 . 1 1 117 117 SER H H 117 8.467 8.467 8.136 0.331 25150 12718 1 19 . 1 1 118 118 SER N N 118 113.628 113.628 118.299 -4.671 25150 12719 1 19 . 1 1 118 118 SER HA H 118 4.485 4.485 4.515 -0.030 25150 12720 1 19 . 1 1 118 118 SER C C 118 174.142 174.142 175.743 -1.601 25150 12721 1 19 . 1 1 118 118 SER CA C 118 59.000 59.000 59.625 -0.625 25150 12722 1 19 . 1 1 118 118 SER CB C 118 64.040 64.040 64.074 -0.034 25150 12723 1 19 . 1 1 118 118 SER H H 118 8.037 8.037 8.111 -0.074 25150 12724 1 19 . 1 1 119 119 CYS N N 119 122.293 122.293 121.969 0.324 25150 12725 1 19 . 1 1 119 119 CYS CA C 119 59.190 59.190 58.744 0.446 25150 12726 1 19 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.994 -0.724 25150 12727 1 19 . 1 1 119 119 CYS H H 119 7.250 7.250 7.738 -0.488 25150 12728 1 19 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.136 0.404 25150 12729 1 19 . 1 1 120 120 LYS C C 120 176.345 176.345 176.189 0.156 25150 12730 1 19 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.140 7.910 25150 12731 1 19 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.339 1.211 25150 12732 1 19 . 1 1 121 121 GLU N N 121 120.936 120.936 125.264 -4.328 25150 12733 1 19 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.317 -0.088 25150 12734 1 19 . 1 1 121 121 GLU C C 121 174.053 174.053 176.254 -2.201 25150 12735 1 19 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.259 -0.069 25150 12736 1 19 . 1 1 121 121 GLU CB C 121 32.690 32.690 29.918 2.772 25150 12737 1 19 . 1 1 121 121 GLU H H 121 7.700 7.700 8.459 -0.759 25150 12738 1 19 . 1 1 122 122 LYS N N 122 127.472 127.472 123.223 4.249 25150 12739 1 19 . 1 1 122 122 LYS HA H 122 3.862 3.862 3.884 -0.022 25150 12740 1 19 . 1 1 122 122 LYS C C 122 174.440 174.440 175.481 -1.041 25150 12741 1 19 . 1 1 122 122 LYS CA C 122 58.280 58.280 57.173 1.107 25150 12742 1 19 . 1 1 122 122 LYS CB C 122 32.410 32.410 31.244 1.166 25150 12743 1 19 . 1 1 122 122 LYS H H 122 8.890 8.890 8.816 0.074 25150 12744 1 19 . 1 1 123 123 ARG N N 123 123.268 123.268 118.424 4.844 25150 12745 1 19 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.543 -0.273 25150 12746 1 19 . 1 1 123 123 ARG C C 123 172.653 172.653 175.154 -2.501 25150 12747 1 19 . 1 1 123 123 ARG CA C 123 54.580 54.580 54.247 0.333 25150 12748 1 19 . 1 1 123 123 ARG CB C 123 32.230 32.230 32.208 0.022 25150 12749 1 19 . 1 1 123 123 ARG H H 123 6.841 6.841 8.026 -1.185 25150 12750 1 19 . 1 1 124 124 ARG N N 124 116.787 116.787 122.047 -5.260 25150 12751 1 19 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.422 0.287 25150 12752 1 19 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.784 -0.704 25150 12753 1 19 . 1 1 124 124 ARG H H 124 8.044 8.044 8.536 -0.492 25150 12754 1 19 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.840 0.961 25150 12755 1 19 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.859 -0.079 25150 12756 1 19 . 1 1 127 127 ASP N N 127 115.165 115.165 120.747 -5.582 25150 12757 1 19 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.573 0.551 25150 12758 1 19 . 1 1 127 127 ASP C C 127 172.871 172.871 175.873 -3.002 25150 12759 1 19 . 1 1 127 127 ASP CA C 127 52.670 52.670 54.609 -1.939 25150 12760 1 19 . 1 1 127 127 ASP CB C 127 39.140 39.140 41.334 -2.194 25150 12761 1 19 . 1 1 127 127 ASP H H 127 8.711 8.711 8.304 0.407 25150 12762 1 19 . 1 1 128 128 ASN N N 128 127.858 127.858 119.226 8.632 25150 12763 1 19 . 1 1 128 128 ASN CA C 128 56.480 56.480 52.337 4.143 25150 12764 1 19 . 1 1 128 128 ASN CB C 128 38.560 38.560 39.568 -1.008 25150 12765 1 19 . 1 1 128 128 ASN H H 128 8.502 8.502 8.197 0.305 25150 12766 1 19 . 1 1 129 129 SER C C 129 176.346 176.346 176.498 -0.152 25150 12767 1 19 . 1 1 129 129 SER CA C 129 62.330 62.330 61.018 1.312 25150 12768 1 19 . 1 1 130 130 PHE N N 130 121.897 121.897 124.106 -2.209 25150 12769 1 19 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.212 -0.092 25150 12770 1 19 . 1 1 130 130 PHE C C 130 177.740 177.740 176.827 0.913 25150 12771 1 19 . 1 1 130 130 PHE CA C 130 60.960 60.960 60.824 0.136 25150 12772 1 19 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.855 0.905 25150 12773 1 19 . 1 1 130 130 PHE H H 130 8.022 8.022 8.220 -0.198 25150 12774 1 19 . 1 1 131 131 TYR N N 131 122.173 122.173 120.942 1.231 25150 12775 1 19 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.038 -0.292 25150 12776 1 19 . 1 1 131 131 TYR C C 131 178.140 178.140 177.902 0.238 25150 12777 1 19 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.925 0.365 25150 12778 1 19 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.645 0.895 25150 12779 1 19 . 1 1 131 131 TYR H H 131 8.871 8.871 9.492 -0.621 25150 12780 1 19 . 1 1 132 132 VAL N N 132 116.993 116.993 118.572 -1.579 25150 12781 1 19 . 1 1 132 132 VAL C C 132 178.082 178.082 178.051 0.031 25150 12782 1 19 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.944 -0.614 25150 12783 1 19 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.517 -0.067 25150 12784 1 19 . 1 1 132 132 VAL H H 132 8.551 8.551 8.070 0.481 25150 12785 1 19 . 1 1 133 133 ARG N N 133 118.860 118.860 119.026 -0.166 25150 12786 1 19 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.857 -0.877 25150 12787 1 19 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.154 0.096 25150 12788 1 19 . 1 1 133 133 ARG H H 133 7.545 7.545 8.374 -0.829 25150 12789 1 19 . 1 1 134 134 THR CA C 134 62.280 62.280 65.163 -2.883 25150 12790 1 19 . 1 1 134 134 THR CB C 134 69.790 69.790 68.098 1.692 25150 12791 1 19 . 1 1 135 135 CYS N N 135 125.959 125.959 119.630 6.329 25150 12792 1 19 . 1 1 135 135 CYS CA C 135 59.760 59.760 62.496 -2.736 25150 12793 1 19 . 1 1 135 135 CYS CB C 135 39.010 39.010 26.542 12.468 25150 12794 1 19 . 1 1 135 135 CYS H H 135 7.881 7.881 7.836 0.045 25150 12795 1 19 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.464 -0.454 25150 12796 1 19 . 1 1 136 136 ASN C C 136 177.768 177.768 176.506 1.262 25150 12797 1 19 . 1 1 136 136 ASN CA C 136 54.160 54.160 55.316 -1.156 25150 12798 1 19 . 1 1 136 136 ASN CB C 136 38.470 38.470 37.981 0.489 25150 12799 1 19 . 1 1 137 137 LYS N N 137 119.224 119.224 116.940 2.284 25150 12800 1 19 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.151 0.045 25150 12801 1 19 . 1 1 137 137 LYS C C 137 176.185 176.185 176.596 -0.411 25150 12802 1 19 . 1 1 137 137 LYS CA C 137 56.980 56.980 57.169 -0.189 25150 12803 1 19 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.499 0.371 25150 12804 1 19 . 1 1 137 137 LYS H H 137 7.678 7.678 7.809 -0.131 25150 12805 1 19 . 1 1 138 138 ASN N N 138 117.174 117.174 118.325 -1.151 25150 12806 1 19 . 1 1 138 138 ASN CA C 138 51.530 51.530 50.801 0.729 25150 12807 1 19 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.956 -0.016 25150 12808 1 19 . 1 1 138 138 ASN H H 138 7.969 7.969 7.529 0.440 25150 12809 1 19 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.501 -0.103 25150 12810 1 19 . 1 1 139 139 PRO C C 139 177.335 177.335 176.361 0.974 25150 12811 1 19 . 1 1 139 139 PRO CA C 139 63.850 63.850 62.712 1.138 25150 12812 1 19 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.781 -0.671 25150 12813 1 19 . 1 1 140 140 LYS N N 140 118.218 118.218 121.617 -3.399 25150 12814 1 19 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.176 28.474 25150 12815 1 19 . 1 1 140 140 LYS C C 140 176.564 176.564 176.457 0.107 25150 12816 1 19 . 1 1 140 140 LYS CA C 140 56.990 56.990 56.709 0.281 25150 12817 1 19 . 1 1 140 140 LYS H H 140 8.108 8.108 8.415 -0.307 25150 12818 1 19 . 1 1 141 141 LYS N N 141 119.276 119.276 126.988 -7.712 25150 12819 1 19 . 1 1 141 141 LYS C C 141 177.924 177.924 176.694 1.230 25150 12820 1 19 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.281 -0.181 25150 12821 1 19 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.942 -3.162 25150 12822 1 19 . 1 1 141 141 LYS H H 141 8.135 8.135 8.503 -0.368 25150 12823 1 19 . 1 1 142 142 THR N N 142 115.380 115.380 116.462 -1.082 25150 12824 1 19 . 1 1 142 142 THR CA C 142 61.850 61.850 61.982 -0.132 25150 12825 1 19 . 1 1 142 142 THR CB C 142 69.660 69.660 69.294 0.366 25150 12826 1 19 . 1 1 142 142 THR H H 142 8.030 8.030 8.497 -0.467 25150 12827 1 19 . 1 1 143 143 LYS C C 143 178.955 178.955 176.572 2.383 25150 12828 1 19 . 1 1 144 144 TRP N N 144 120.470 120.470 125.158 -4.688 25150 12829 1 19 . 1 1 144 144 TRP C C 144 176.557 176.557 174.986 1.571 25150 12830 1 19 . 1 1 144 144 TRP CA C 144 57.870 57.870 55.911 1.959 25150 12831 1 19 . 1 1 144 144 TRP CB C 144 33.000 33.000 28.985 4.015 25150 12832 1 19 . 1 1 144 144 TRP H H 144 8.094 8.094 8.189 -0.095 25150 12833 1 19 . 1 1 145 145 TRP N N 145 120.330 120.330 120.871 -0.541 25150 12834 1 19 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.543 0.577 25150 12835 1 19 . 1 1 145 145 TRP CB C 145 32.850 32.850 29.056 3.794 25150 12836 1 19 . 1 1 145 145 TRP H H 145 8.488 8.488 7.403 1.085 25150 12837 1 19 . 1 1 146 146 TYR C C 146 174.706 174.706 176.207 -1.501 25150 12838 1 19 . 1 1 146 146 TYR CA C 146 57.430 57.430 58.438 -1.008 25150 12839 1 19 . 1 1 146 146 TYR CB C 146 38.740 38.740 39.695 -0.955 25150 12840 1 19 . 1 1 147 147 HIS N N 147 121.604 121.604 123.059 -1.455 25150 12841 1 19 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.434 -0.248 25150 12842 1 19 . 1 1 147 147 HIS C C 147 176.874 176.874 174.349 2.525 25150 12843 1 19 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.092 1.148 25150 12844 1 19 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.354 0.846 25150 12845 1 19 . 1 1 147 147 HIS H H 147 7.886 7.886 7.686 0.200 25150 12846 1 19 . 1 1 148 148 ASP N N 148 122.629 122.629 118.377 4.252 25150 12847 1 19 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.510 0.034 25150 12848 1 19 . 1 1 148 148 ASP C C 148 175.661 175.661 175.703 -0.042 25150 12849 1 19 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.460 0.720 25150 12850 1 19 . 1 1 148 148 ASP CB C 148 41.680 41.680 39.891 1.789 25150 12851 1 19 . 1 1 148 148 ASP H H 148 8.109 8.109 8.580 -0.471 25150 12852 1 19 . 1 1 149 149 ASP N N 149 121.321 121.321 122.593 -1.272 25150 12853 1 19 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.645 0.009 25150 12854 1 19 . 1 1 149 149 ASP C C 149 176.551 176.551 176.693 -0.142 25150 12855 1 19 . 1 1 149 149 ASP CA C 149 54.610 54.610 53.938 0.672 25150 12856 1 19 . 1 1 149 149 ASP CB C 149 41.360 41.360 39.955 1.405 25150 12857 1 19 . 1 1 149 149 ASP H H 149 8.395 8.395 8.668 -0.273 25150 12858 1 19 . 1 1 150 150 THR N N 150 113.450 113.450 117.629 -4.179 25150 12859 1 19 . 1 1 150 150 THR HA H 150 4.296 4.296 4.475 -0.179 25150 12860 1 19 . 1 1 150 150 THR C C 150 173.994 173.994 175.409 -1.415 25150 12861 1 19 . 1 1 150 150 THR CA C 150 62.310 62.310 61.102 1.208 25150 12862 1 19 . 1 1 150 150 THR CB C 150 69.870 69.870 68.679 1.191 25150 12863 1 19 . 1 1 150 150 THR H H 150 8.259 8.259 8.245 0.014 25150 12864 1 20 . 1 1 6 6 LYS HA H 6 4.294 4.294 4.312 -0.018 25150 12865 1 20 . 1 1 6 6 LYS C C 6 176.970 176.970 179.143 -2.173 25150 12866 1 20 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.162 -0.792 25150 12867 1 20 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.310 0.170 25150 12868 1 20 . 1 1 7 7 ARG N N 7 119.704 119.704 120.552 -0.848 25150 12869 1 20 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.101 0.097 25150 12870 1 20 . 1 1 7 7 ARG C C 7 178.270 178.270 178.407 -0.137 25150 12871 1 20 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.434 0.596 25150 12872 1 20 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.511 -0.951 25150 12873 1 20 . 1 1 7 7 ARG H H 7 8.599 8.599 7.851 0.748 25150 12874 1 20 . 1 1 8 8 LEU N N 8 119.704 119.704 121.477 -1.773 25150 12875 1 20 . 1 1 8 8 LEU HA H 8 4.090 4.090 4.486 -0.396 25150 12876 1 20 . 1 1 8 8 LEU C C 8 178.980 178.980 179.034 -0.054 25150 12877 1 20 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.733 0.557 25150 12878 1 20 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.651 0.409 25150 12879 1 20 . 1 1 8 8 LEU H H 8 8.599 8.599 7.853 0.746 25150 12880 1 20 . 1 1 9 9 GLN N N 9 117.512 117.512 118.410 -0.898 25150 12881 1 20 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.983 0.054 25150 12882 1 20 . 1 1 9 9 GLN C C 9 178.610 178.610 178.597 0.013 25150 12883 1 20 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.541 -0.231 25150 12884 1 20 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.493 -0.013 25150 12885 1 20 . 1 1 9 9 GLN H H 9 8.066 8.066 8.397 -0.331 25150 12886 1 20 . 1 1 10 10 LYS N N 10 119.556 119.556 120.111 -0.555 25150 12887 1 20 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.979 0.101 25150 12888 1 20 . 1 1 10 10 LYS C C 10 180.040 180.040 179.189 0.851 25150 12889 1 20 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.810 -0.130 25150 12890 1 20 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.265 0.195 25150 12891 1 20 . 1 1 10 10 LYS H H 10 7.678 7.678 8.283 -0.605 25150 12892 1 20 . 1 1 11 11 GLU N N 11 120.347 120.347 120.000 0.347 25150 12893 1 20 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.054 0.122 25150 12894 1 20 . 1 1 11 11 GLU C C 11 178.770 178.770 178.787 -0.017 25150 12895 1 20 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.588 1.452 25150 12896 1 20 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.697 0.963 25150 12897 1 20 . 1 1 11 11 GLU H H 11 8.533 8.533 7.980 0.553 25150 12898 1 20 . 1 1 12 12 LEU N N 12 123.285 123.285 121.957 1.328 25150 12899 1 20 . 1 1 12 12 LEU C C 12 178.570 178.570 178.283 0.287 25150 12900 1 20 . 1 1 12 12 LEU CA C 12 58.120 58.120 58.113 0.007 25150 12901 1 20 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.841 -0.761 25150 12902 1 20 . 1 1 12 12 LEU H H 12 8.685 8.685 8.298 0.387 25150 12903 1 20 . 1 1 13 13 LEU N N 13 118.881 118.881 118.275 0.606 25150 12904 1 20 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.149 -0.152 25150 12905 1 20 . 1 1 13 13 LEU C C 13 179.260 179.260 179.122 0.138 25150 12906 1 20 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.792 0.108 25150 12907 1 20 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.342 0.548 25150 12908 1 20 . 1 1 13 13 LEU H H 13 7.588 7.588 8.229 -0.641 25150 12909 1 20 . 1 1 14 14 ALA N N 14 120.667 120.667 122.442 -1.775 25150 12910 1 20 . 1 1 14 14 ALA HA H 14 4.190 4.190 3.992 0.198 25150 12911 1 20 . 1 1 14 14 ALA C C 14 176.270 176.270 179.611 -3.341 25150 12912 1 20 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.246 -0.056 25150 12913 1 20 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.160 -0.130 25150 12914 1 20 . 1 1 14 14 ALA H H 14 7.617 7.617 8.168 -0.551 25150 12915 1 20 . 1 1 15 15 LEU N N 15 119.965 119.965 117.221 2.744 25150 12916 1 20 . 1 1 15 15 LEU CA C 15 57.450 57.450 57.042 0.408 25150 12917 1 20 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.698 0.562 25150 12918 1 20 . 1 1 15 15 LEU H H 15 7.726 7.726 7.861 -0.135 25150 12919 1 20 . 1 1 16 16 GLN N N 16 115.381 115.381 116.332 -0.951 25150 12920 1 20 . 1 1 16 16 GLN HA H 16 3.978 3.978 3.958 0.020 25150 12921 1 20 . 1 1 16 16 GLN C C 16 177.950 177.950 177.744 0.206 25150 12922 1 20 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.090 0.370 25150 12923 1 20 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.985 0.805 25150 12924 1 20 . 1 1 16 16 GLN H H 16 8.028 8.028 8.007 0.021 25150 12925 1 20 . 1 1 17 17 ASN N N 17 114.975 114.975 116.575 -1.600 25150 12926 1 20 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.631 -0.001 25150 12927 1 20 . 1 1 17 17 ASN C C 17 175.303 175.303 175.458 -0.155 25150 12928 1 20 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.004 -0.124 25150 12929 1 20 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.453 0.397 25150 12930 1 20 . 1 1 17 17 ASN H H 17 8.136 8.136 8.125 0.011 25150 12931 1 20 . 1 1 18 18 ASP N N 18 119.698 119.698 118.435 1.263 25150 12932 1 20 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.115 1.345 25150 12933 1 20 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.411 -0.901 25150 12934 1 20 . 1 1 18 18 ASP H H 18 8.218 8.218 8.338 -0.120 25150 12935 1 20 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.333 -0.018 25150 12936 1 20 . 1 1 21 21 PRO C C 21 177.867 177.867 177.805 0.062 25150 12937 1 20 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.070 -0.250 25150 12938 1 20 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.890 -0.320 25150 12939 1 20 . 1 1 22 22 GLY N N 22 111.293 111.293 112.091 -0.798 25150 12940 1 20 . 1 1 22 22 GLY C C 22 174.342 174.342 173.923 0.419 25150 12941 1 20 . 1 1 22 22 GLY CA C 22 45.990 45.990 44.986 1.004 25150 12942 1 20 . 1 1 22 22 GLY H H 22 8.506 8.506 8.638 -0.132 25150 12943 1 20 . 1 1 23 23 MET N N 23 118.966 118.966 121.324 -2.358 25150 12944 1 20 . 1 1 23 23 MET HA H 23 5.699 5.699 5.516 0.183 25150 12945 1 20 . 1 1 23 23 MET C C 23 175.386 175.386 174.861 0.525 25150 12946 1 20 . 1 1 23 23 MET CA C 23 55.270 55.270 54.719 0.551 25150 12947 1 20 . 1 1 23 23 MET CB C 23 35.890 35.890 35.198 0.692 25150 12948 1 20 . 1 1 23 23 MET H H 23 8.017 8.017 7.903 0.114 25150 12949 1 20 . 1 1 24 24 THR N N 24 112.647 112.647 122.822 -10.175 25150 12950 1 20 . 1 1 24 24 THR HA H 24 4.596 4.596 4.591 0.005 25150 12951 1 20 . 1 1 24 24 THR C C 24 173.407 173.407 172.960 0.447 25150 12952 1 20 . 1 1 24 24 THR CA C 24 60.850 60.850 61.533 -0.683 25150 12953 1 20 . 1 1 24 24 THR CB C 24 72.360 72.360 71.087 1.273 25150 12954 1 20 . 1 1 24 24 THR H H 24 8.565 8.565 8.906 -0.341 25150 12955 1 20 . 1 1 25 25 LEU N N 25 126.920 126.920 129.300 -2.380 25150 12956 1 20 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.513 -0.217 25150 12957 1 20 . 1 1 25 25 LEU C C 25 175.624 175.624 175.319 0.305 25150 12958 1 20 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.063 2.107 25150 12959 1 20 . 1 1 25 25 LEU CB C 25 42.710 42.710 42.823 -0.113 25150 12960 1 20 . 1 1 25 25 LEU H H 25 9.189 9.189 8.622 0.567 25150 12961 1 20 . 1 1 26 26 ASN N N 26 127.108 127.108 126.938 0.170 25150 12962 1 20 . 1 1 26 26 ASN C C 26 173.783 173.783 174.359 -0.576 25150 12963 1 20 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.249 1.851 25150 12964 1 20 . 1 1 26 26 ASN CB C 26 40.370 40.370 39.469 0.901 25150 12965 1 20 . 1 1 26 26 ASN H H 26 9.000 9.000 9.095 -0.095 25150 12966 1 20 . 1 1 27 27 GLU N N 27 108.990 108.990 123.910 -14.920 25150 12967 1 20 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.033 0.577 25150 12968 1 20 . 1 1 27 27 GLU H H 27 7.631 7.631 8.549 -0.918 25150 12969 1 20 . 1 1 30 30 VAL C C 30 177.011 177.011 176.306 0.705 25150 12970 1 20 . 1 1 30 30 VAL CA C 30 55.230 55.230 62.432 -7.202 25150 12971 1 20 . 1 1 30 30 VAL CB C 30 30.860 30.860 31.848 -0.988 25150 12972 1 20 . 1 1 31 31 GLN N N 31 125.960 125.960 126.313 -0.353 25150 12973 1 20 . 1 1 31 31 GLN CA C 31 58.430 58.430 57.210 1.220 25150 12974 1 20 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.613 0.517 25150 12975 1 20 . 1 1 31 31 GLN H H 31 7.880 7.880 8.875 -0.995 25150 12976 1 20 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.861 -0.201 25150 12977 1 20 . 1 1 34 34 ILE C C 34 178.642 178.642 175.875 2.767 25150 12978 1 20 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.755 -5.785 25150 12979 1 20 . 1 1 34 34 ILE CB C 34 42.000 42.000 37.401 4.598 25150 12980 1 20 . 1 1 35 35 THR N N 35 110.980 110.980 111.556 -0.576 25150 12981 1 20 . 1 1 35 35 THR CA C 35 61.070 61.070 61.955 -0.885 25150 12982 1 20 . 1 1 35 35 THR CB C 35 69.090 69.090 69.206 -0.116 25150 12983 1 20 . 1 1 35 35 THR H H 35 7.825 7.825 7.820 0.005 25150 12984 1 20 . 1 1 36 36 GLN HA H 36 5.624 5.624 4.828 0.796 25150 12985 1 20 . 1 1 36 36 GLN C C 36 174.178 174.178 174.344 -0.166 25150 12986 1 20 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.567 0.523 25150 12987 1 20 . 1 1 36 36 GLN CB C 36 32.290 32.290 30.520 1.770 25150 12988 1 20 . 1 1 37 37 TRP N N 37 123.942 123.942 126.103 -2.161 25150 12989 1 20 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.017 0.559 25150 12990 1 20 . 1 1 37 37 TRP C C 37 174.959 174.959 175.402 -0.443 25150 12991 1 20 . 1 1 37 37 TRP CA C 37 53.630 53.630 53.493 0.137 25150 12992 1 20 . 1 1 37 37 TRP CB C 37 32.950 32.950 31.866 1.084 25150 12993 1 20 . 1 1 37 37 TRP H H 37 9.242 9.242 9.073 0.169 25150 12994 1 20 . 1 1 38 38 ILE N N 38 121.559 121.559 122.167 -0.608 25150 12995 1 20 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.133 0.146 25150 12996 1 20 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.363 -0.933 25150 12997 1 20 . 1 1 38 38 ILE CB C 38 39.240 39.240 40.464 -1.224 25150 12998 1 20 . 1 1 38 38 ILE H H 38 8.778 8.778 8.974 -0.196 25150 12999 1 20 . 1 1 39 39 VAL N N 39 128.719 128.719 128.299 0.420 25150 13000 1 20 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.800 -0.219 25150 13001 1 20 . 1 1 39 39 VAL C C 39 175.175 175.175 174.913 0.262 25150 13002 1 20 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.714 0.536 25150 13003 1 20 . 1 1 39 39 VAL CB C 39 35.850 35.850 33.977 1.873 25150 13004 1 20 . 1 1 39 39 VAL H H 39 9.533 9.533 9.160 0.373 25150 13005 1 20 . 1 1 40 40 ASP N N 40 128.451 128.451 128.941 -0.490 25150 13006 1 20 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.592 -0.374 25150 13007 1 20 . 1 1 40 40 ASP C C 40 175.157 175.157 175.302 -0.145 25150 13008 1 20 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.080 2.230 25150 13009 1 20 . 1 1 40 40 ASP CB C 40 42.500 42.500 43.231 -0.731 25150 13010 1 20 . 1 1 40 40 ASP H H 40 9.165 9.165 8.794 0.371 25150 13011 1 20 . 1 1 41 41 MET N N 41 120.544 120.544 121.583 -1.039 25150 13012 1 20 . 1 1 41 41 MET HA H 41 5.467 5.467 5.445 0.022 25150 13013 1 20 . 1 1 41 41 MET C C 41 173.590 173.590 174.839 -1.249 25150 13014 1 20 . 1 1 41 41 MET CA C 41 54.610 54.610 54.400 0.210 25150 13015 1 20 . 1 1 41 41 MET CB C 41 37.490 37.490 37.950 -0.460 25150 13016 1 20 . 1 1 41 41 MET H H 41 8.756 8.756 9.105 -0.349 25150 13017 1 20 . 1 1 42 42 GLU N N 42 125.740 125.740 124.257 1.483 25150 13018 1 20 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.023 -0.013 25150 13019 1 20 . 1 1 42 42 GLU C C 42 177.323 177.323 177.304 0.019 25150 13020 1 20 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.645 -0.165 25150 13021 1 20 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.495 -0.235 25150 13022 1 20 . 1 1 42 42 GLU H H 42 8.706 8.706 8.451 0.255 25150 13023 1 20 . 1 1 43 43 GLY N N 43 111.314 111.314 113.729 -2.415 25150 13024 1 20 . 1 1 43 43 GLY C C 43 174.121 174.121 174.240 -0.119 25150 13025 1 20 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.488 -0.098 25150 13026 1 20 . 1 1 43 43 GLY H H 43 8.917 8.917 8.774 0.143 25150 13027 1 20 . 1 1 44 44 ALA N N 44 128.665 128.665 128.616 0.049 25150 13028 1 20 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.585 0.475 25150 13029 1 20 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.824 -0.354 25150 13030 1 20 . 1 1 44 44 ALA H H 44 8.918 8.918 8.428 0.490 25150 13031 1 20 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.258 0.042 25150 13032 1 20 . 1 1 45 45 PRO C C 45 177.598 177.598 177.544 0.054 25150 13033 1 20 . 1 1 45 45 PRO CA C 45 63.410 63.410 63.688 -0.278 25150 13034 1 20 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.499 0.291 25150 13035 1 20 . 1 1 46 46 GLY N N 46 111.319 111.319 113.197 -1.878 25150 13036 1 20 . 1 1 46 46 GLY C C 46 174.290 174.290 174.733 -0.443 25150 13037 1 20 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.228 0.682 25150 13038 1 20 . 1 1 46 46 GLY H H 46 9.449 9.449 9.307 0.142 25150 13039 1 20 . 1 1 47 47 THR N N 47 107.981 107.981 112.187 -4.206 25150 13040 1 20 . 1 1 47 47 THR HA H 47 4.801 4.801 4.614 0.187 25150 13041 1 20 . 1 1 47 47 THR C C 47 176.158 176.158 176.150 0.008 25150 13042 1 20 . 1 1 47 47 THR CA C 47 60.380 60.380 60.007 0.373 25150 13043 1 20 . 1 1 47 47 THR CB C 47 73.420 73.420 71.192 2.228 25150 13044 1 20 . 1 1 47 47 THR H H 47 7.426 7.426 7.490 -0.064 25150 13045 1 20 . 1 1 48 48 LEU N N 48 119.132 119.132 120.678 -1.546 25150 13046 1 20 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.082 -0.025 25150 13047 1 20 . 1 1 48 48 LEU C C 48 175.907 175.907 177.222 -1.315 25150 13048 1 20 . 1 1 48 48 LEU CA C 48 56.490 56.490 57.109 -0.619 25150 13049 1 20 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.708 -0.088 25150 13050 1 20 . 1 1 48 48 LEU H H 48 8.966 8.966 8.857 0.109 25150 13051 1 20 . 1 1 49 49 TYR N N 49 113.649 113.649 115.215 -1.566 25150 13052 1 20 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.853 -0.028 25150 13053 1 20 . 1 1 49 49 TYR C C 49 174.634 174.634 175.395 -0.761 25150 13054 1 20 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.591 -0.481 25150 13055 1 20 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.948 -0.558 25150 13056 1 20 . 1 1 49 49 TYR H H 49 7.205 7.205 7.726 -0.521 25150 13057 1 20 . 1 1 50 50 GLU N N 50 122.006 122.006 121.854 0.152 25150 13058 1 20 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.079 -0.602 25150 13059 1 20 . 1 1 50 50 GLU C C 50 177.182 177.182 177.900 -0.718 25150 13060 1 20 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.201 -0.101 25150 13061 1 20 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.241 0.799 25150 13062 1 20 . 1 1 50 50 GLU H H 50 6.934 6.934 7.600 -0.666 25150 13063 1 20 . 1 1 51 51 GLY N N 51 115.165 115.165 115.778 -0.613 25150 13064 1 20 . 1 1 51 51 GLY C C 51 173.997 173.997 174.014 -0.017 25150 13065 1 20 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.869 0.631 25150 13066 1 20 . 1 1 51 51 GLY H H 51 8.752 8.752 8.772 -0.020 25150 13067 1 20 . 1 1 52 52 GLU N N 52 120.251 120.251 122.086 -1.835 25150 13068 1 20 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.272 -0.302 25150 13069 1 20 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.936 0.504 25150 13070 1 20 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.967 1.733 25150 13071 1 20 . 1 1 52 52 GLU H H 52 7.900 7.900 8.136 -0.236 25150 13072 1 20 . 1 1 53 53 LYS N N 53 120.435 120.435 126.806 -6.371 25150 13073 1 20 . 1 1 53 53 LYS HA H 53 4.686 4.686 4.871 -0.185 25150 13074 1 20 . 1 1 53 53 LYS C C 53 175.285 175.285 175.607 -0.322 25150 13075 1 20 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.816 -0.436 25150 13076 1 20 . 1 1 53 53 LYS CB C 53 34.060 34.060 33.492 0.568 25150 13077 1 20 . 1 1 53 53 LYS H H 53 8.046 8.046 8.348 -0.302 25150 13078 1 20 . 1 1 54 54 PHE N N 54 122.724 122.724 123.346 -0.622 25150 13079 1 20 . 1 1 54 54 PHE HA H 54 5.520 5.520 5.049 0.471 25150 13080 1 20 . 1 1 54 54 PHE C C 54 175.151 175.151 174.260 0.891 25150 13081 1 20 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.865 -2.175 25150 13082 1 20 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.172 1.429 25150 13083 1 20 . 1 1 54 54 PHE H H 54 9.082 9.082 8.848 0.234 25150 13084 1 20 . 1 1 55 55 GLN N N 55 121.971 121.971 122.130 -0.159 25150 13085 1 20 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.403 -0.052 25150 13086 1 20 . 1 1 55 55 GLN C C 55 173.802 173.802 173.788 0.014 25150 13087 1 20 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.468 1.732 25150 13088 1 20 . 1 1 55 55 GLN CB C 55 34.320 34.320 32.060 2.260 25150 13089 1 20 . 1 1 55 55 GLN H H 55 10.001 10.001 8.479 1.522 25150 13090 1 20 . 1 1 56 56 LEU N N 56 124.898 124.898 125.953 -1.055 25150 13091 1 20 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.170 -0.478 25150 13092 1 20 . 1 1 56 56 LEU C C 56 174.265 174.265 174.905 -0.640 25150 13093 1 20 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.231 0.189 25150 13094 1 20 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.925 0.765 25150 13095 1 20 . 1 1 56 56 LEU H H 56 9.573 9.573 9.098 0.475 25150 13096 1 20 . 1 1 57 57 LEU N N 57 124.234 124.234 122.644 1.590 25150 13097 1 20 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.242 -0.072 25150 13098 1 20 . 1 1 57 57 LEU C C 57 174.551 174.551 174.723 -0.172 25150 13099 1 20 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.320 0.350 25150 13100 1 20 . 1 1 57 57 LEU CB C 57 45.520 45.520 45.380 0.140 25150 13101 1 20 . 1 1 57 57 LEU H H 57 8.890 8.890 8.982 -0.092 25150 13102 1 20 . 1 1 58 58 PHE N N 58 124.003 124.003 128.212 -4.209 25150 13103 1 20 . 1 1 58 58 PHE HA H 58 4.750 4.750 4.945 -0.195 25150 13104 1 20 . 1 1 58 58 PHE C C 58 174.407 174.407 174.813 -0.406 25150 13105 1 20 . 1 1 58 58 PHE CA C 58 56.000 56.000 56.061 -0.061 25150 13106 1 20 . 1 1 58 58 PHE CB C 58 42.940 42.940 39.662 3.278 25150 13107 1 20 . 1 1 58 58 PHE H H 58 9.134 9.134 9.568 -0.434 25150 13108 1 20 . 1 1 59 59 LYS N N 59 120.089 120.089 123.125 -3.036 25150 13109 1 20 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.977 -0.094 25150 13110 1 20 . 1 1 59 59 LYS C C 59 175.192 175.192 175.059 0.133 25150 13111 1 20 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.626 0.194 25150 13112 1 20 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.850 0.680 25150 13113 1 20 . 1 1 59 59 LYS H H 59 8.732 8.732 8.601 0.131 25150 13114 1 20 . 1 1 60 60 PHE N N 60 123.988 123.988 121.508 2.480 25150 13115 1 20 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.493 -0.189 25150 13116 1 20 . 1 1 60 60 PHE C C 60 174.636 174.636 175.401 -0.765 25150 13117 1 20 . 1 1 60 60 PHE CA C 60 57.250 57.250 56.371 0.879 25150 13118 1 20 . 1 1 60 60 PHE CB C 60 41.160 41.160 41.036 0.124 25150 13119 1 20 . 1 1 60 60 PHE H H 60 8.649 8.649 8.331 0.318 25150 13120 1 20 . 1 1 61 61 SER N N 61 117.599 117.599 118.860 -1.261 25150 13121 1 20 . 1 1 61 61 SER C C 61 174.771 174.771 174.410 0.361 25150 13122 1 20 . 1 1 61 61 SER CA C 61 57.130 57.130 56.906 0.224 25150 13123 1 20 . 1 1 61 61 SER CB C 61 66.030 66.030 65.314 0.716 25150 13124 1 20 . 1 1 61 61 SER H H 61 8.066 8.066 8.393 -0.327 25150 13125 1 20 . 1 1 62 62 SER N N 62 119.994 119.994 114.771 5.223 25150 13126 1 20 . 1 1 62 62 SER CA C 62 61.650 61.650 60.026 1.624 25150 13127 1 20 . 1 1 62 62 SER H H 62 8.265 8.265 8.715 -0.450 25150 13128 1 20 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.477 -0.027 25150 13129 1 20 . 1 1 63 63 ARG C C 63 175.086 175.086 176.776 -1.690 25150 13130 1 20 . 1 1 63 63 ARG CA C 63 57.670 57.670 56.797 0.873 25150 13131 1 20 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.819 -0.769 25150 13132 1 20 . 1 1 64 64 TYR N N 64 120.957 120.957 124.084 -3.127 25150 13133 1 20 . 1 1 64 64 TYR CA C 64 59.680 59.680 57.736 1.944 25150 13134 1 20 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.278 -0.558 25150 13135 1 20 . 1 1 64 64 TYR H H 64 7.471 7.471 7.924 -0.453 25150 13136 1 20 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.985 -0.315 25150 13137 1 20 . 1 1 65 65 PRO C C 65 174.345 174.345 175.251 -0.906 25150 13138 1 20 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.384 1.076 25150 13139 1 20 . 1 1 65 65 PRO CB C 65 33.370 33.370 30.974 2.396 25150 13140 1 20 . 1 1 66 66 PHE N N 66 126.070 126.070 120.115 5.955 25150 13141 1 20 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.557 -0.314 25150 13142 1 20 . 1 1 66 66 PHE C C 66 175.867 175.867 176.309 -0.442 25150 13143 1 20 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.221 0.859 25150 13144 1 20 . 1 1 66 66 PHE CB C 66 38.010 38.010 40.066 -2.056 25150 13145 1 20 . 1 1 66 66 PHE H H 66 8.630 8.630 8.068 0.562 25150 13146 1 20 . 1 1 67 67 ASP N N 67 118.021 118.021 117.359 0.662 25150 13147 1 20 . 1 1 67 67 ASP HA H 67 3.959 3.959 5.015 -1.056 25150 13148 1 20 . 1 1 67 67 ASP CA C 67 5.630 5.630 52.891 -47.261 25150 13149 1 20 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.810 -7.970 25150 13150 1 20 . 1 1 67 67 ASP H H 67 7.126 7.126 8.390 -1.264 25150 13151 1 20 . 1 1 68 68 SER N N 68 120.730 120.730 115.770 4.960 25150 13152 1 20 . 1 1 68 68 SER CA C 68 55.750 55.750 55.998 -0.248 25150 13153 1 20 . 1 1 68 68 SER CB C 68 61.900 61.900 63.123 -1.223 25150 13154 1 20 . 1 1 68 68 SER H H 68 8.091 8.091 8.234 -0.143 25150 13155 1 20 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.077 0.279 25150 13156 1 20 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.302 -0.222 25150 13157 1 20 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.724 -0.014 25150 13158 1 20 . 1 1 70 70 GLN N N 70 119.493 119.493 120.605 -1.112 25150 13159 1 20 . 1 1 70 70 GLN CA C 70 55.070 55.070 54.619 0.451 25150 13160 1 20 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.901 0.589 25150 13161 1 20 . 1 1 70 70 GLN H H 70 8.049 8.049 8.091 -0.042 25150 13162 1 20 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.619 -0.219 25150 13163 1 20 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.441 -0.631 25150 13164 1 20 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.857 -0.017 25150 13165 1 20 . 1 1 72 72 MET N N 72 120.767 120.767 122.596 -1.829 25150 13166 1 20 . 1 1 72 72 MET HA H 72 4.731 4.731 4.963 -0.232 25150 13167 1 20 . 1 1 72 72 MET C C 72 174.779 174.779 174.675 0.104 25150 13168 1 20 . 1 1 72 72 MET CA C 72 54.390 54.390 53.744 0.646 25150 13169 1 20 . 1 1 72 72 MET CB C 72 36.140 36.140 37.661 -1.522 25150 13170 1 20 . 1 1 72 72 MET H H 72 8.245 8.245 8.280 -0.035 25150 13171 1 20 . 1 1 73 73 PHE N N 73 120.458 120.458 123.555 -3.097 25150 13172 1 20 . 1 1 73 73 PHE HA H 73 5.214 5.214 4.760 0.454 25150 13173 1 20 . 1 1 73 73 PHE C C 73 175.404 175.404 174.826 0.578 25150 13174 1 20 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.477 1.103 25150 13175 1 20 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.337 0.283 25150 13176 1 20 . 1 1 73 73 PHE H H 73 9.193 9.193 8.771 0.422 25150 13177 1 20 . 1 1 74 74 THR N N 74 113.842 113.842 124.218 -10.376 25150 13178 1 20 . 1 1 74 74 THR HA H 74 4.777 4.777 4.628 0.149 25150 13179 1 20 . 1 1 74 74 THR C C 74 173.551 173.551 172.994 0.557 25150 13180 1 20 . 1 1 74 74 THR CA C 74 59.580 59.580 61.242 -1.662 25150 13181 1 20 . 1 1 74 74 THR CB C 74 71.300 71.300 70.165 1.135 25150 13182 1 20 . 1 1 74 74 THR H H 74 8.894 8.894 8.145 0.749 25150 13183 1 20 . 1 1 75 75 GLY N N 75 109.259 109.259 113.532 -4.273 25150 13184 1 20 . 1 1 75 75 GLY C C 75 173.980 173.980 173.129 0.851 25150 13185 1 20 . 1 1 75 75 GLY CA C 75 44.710 44.710 45.186 -0.476 25150 13186 1 20 . 1 1 75 75 GLY H H 75 8.058 8.058 7.954 0.104 25150 13187 1 20 . 1 1 76 76 GLU N N 76 116.661 116.661 119.546 -2.885 25150 13188 1 20 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.404 -0.263 25150 13189 1 20 . 1 1 76 76 GLU C C 76 176.624 176.624 175.327 1.297 25150 13190 1 20 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.176 1.864 25150 13191 1 20 . 1 1 76 76 GLU CB C 76 30.910 30.910 30.432 0.478 25150 13192 1 20 . 1 1 76 76 GLU H H 76 8.356 8.356 8.474 -0.118 25150 13193 1 20 . 1 1 77 77 ASN N N 77 118.469 118.469 119.200 -0.731 25150 13194 1 20 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.830 0.280 25150 13195 1 20 . 1 1 77 77 ASN C C 77 176.525 176.525 174.027 2.498 25150 13196 1 20 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.862 -0.622 25150 13197 1 20 . 1 1 77 77 ASN CB C 77 39.710 39.710 39.167 0.543 25150 13198 1 20 . 1 1 77 77 ASN H H 77 8.614 8.614 8.008 0.606 25150 13199 1 20 . 1 1 78 78 ILE N N 78 117.605 117.605 123.959 -6.354 25150 13200 1 20 . 1 1 78 78 ILE CA C 78 59.390 59.390 58.097 1.293 25150 13201 1 20 . 1 1 78 78 ILE CB C 78 41.640 41.640 36.427 5.213 25150 13202 1 20 . 1 1 78 78 ILE H H 78 7.736 7.736 8.283 -0.546 25150 13203 1 20 . 1 1 79 79 PRO C C 79 176.134 176.134 175.899 0.235 25150 13204 1 20 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.143 0.687 25150 13205 1 20 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.848 -1.688 25150 13206 1 20 . 1 1 80 80 VAL N N 80 123.378 123.378 121.821 1.557 25150 13207 1 20 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.952 -0.122 25150 13208 1 20 . 1 1 80 80 VAL CB C 80 29.920 29.920 31.711 -1.791 25150 13209 1 20 . 1 1 80 80 VAL H H 80 8.297 8.297 8.580 -0.283 25150 13210 1 20 . 1 1 82 82 PRO C C 82 176.169 176.169 176.520 -0.351 25150 13211 1 20 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.558 0.152 25150 13212 1 20 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.617 0.052 25150 13213 1 20 . 1 1 83 83 HIS N N 83 121.199 121.199 113.411 7.788 25150 13214 1 20 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.831 0.010 25150 13215 1 20 . 1 1 83 83 HIS C C 83 173.457 173.457 174.177 -0.720 25150 13216 1 20 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.439 -0.759 25150 13217 1 20 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.953 0.278 25150 13218 1 20 . 1 1 83 83 HIS H H 83 10.996 10.996 8.566 2.430 25150 13219 1 20 . 1 1 84 84 VAL N N 84 121.050 121.050 121.598 -0.548 25150 13220 1 20 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.757 0.020 25150 13221 1 20 . 1 1 84 84 VAL C C 84 175.155 175.155 174.702 0.453 25150 13222 1 20 . 1 1 84 84 VAL CA C 84 61.100 61.100 61.155 -0.055 25150 13223 1 20 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.530 0.580 25150 13224 1 20 . 1 1 84 84 VAL H H 84 8.058 8.058 7.553 0.505 25150 13225 1 20 . 1 1 85 85 TYR N N 85 126.195 126.195 124.935 1.260 25150 13226 1 20 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.758 -0.073 25150 13227 1 20 . 1 1 85 85 TYR C C 85 179.268 179.268 177.562 1.706 25150 13228 1 20 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.282 2.108 25150 13229 1 20 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.610 0.660 25150 13230 1 20 . 1 1 85 85 TYR H H 85 9.136 9.136 9.070 0.066 25150 13231 1 20 . 1 1 86 86 SER N N 86 115.546 115.546 117.244 -1.698 25150 13232 1 20 . 1 1 86 86 SER HA H 86 3.935 3.935 4.230 -0.295 25150 13233 1 20 . 1 1 86 86 SER C C 86 174.309 174.309 174.822 -0.513 25150 13234 1 20 . 1 1 86 86 SER CA C 86 61.890 61.890 60.615 1.275 25150 13235 1 20 . 1 1 86 86 SER CB C 86 62.230 62.230 63.192 -0.962 25150 13236 1 20 . 1 1 86 86 SER H H 86 10.052 10.052 8.822 1.230 25150 13237 1 20 . 1 1 87 87 ASN N N 87 116.470 116.470 115.941 0.529 25150 13238 1 20 . 1 1 87 87 ASN C C 87 175.624 175.624 175.739 -0.115 25150 13239 1 20 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.441 -0.100 25150 13240 1 20 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.914 -0.424 25150 13241 1 20 . 1 1 87 87 ASN H H 87 7.331 7.331 8.055 -0.724 25150 13242 1 20 . 1 1 88 88 GLY N N 88 108.412 108.412 108.035 0.377 25150 13243 1 20 . 1 1 88 88 GLY C C 88 174.247 174.247 173.966 0.281 25150 13244 1 20 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.331 0.579 25150 13245 1 20 . 1 1 88 88 GLY H H 88 8.737 8.737 8.371 0.366 25150 13246 1 20 . 1 1 89 89 HIS N N 89 119.508 119.508 121.975 -2.467 25150 13247 1 20 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.545 -1.245 25150 13248 1 20 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.736 1.124 25150 13249 1 20 . 1 1 89 89 HIS H H 89 7.494 7.494 8.717 -1.223 25150 13250 1 20 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.764 -0.350 25150 13251 1 20 . 1 1 90 90 ILE C C 90 174.510 174.510 176.091 -1.581 25150 13252 1 20 . 1 1 90 90 ILE CA C 90 58.320 58.320 59.917 -1.597 25150 13253 1 20 . 1 1 90 90 ILE CB C 90 39.280 39.280 39.835 -0.555 25150 13254 1 20 . 1 1 91 91 CYS N N 91 123.587 123.587 129.192 -5.605 25150 13255 1 20 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.784 4.796 25150 13256 1 20 . 1 1 91 91 CYS CB C 91 33.390 33.390 25.427 7.963 25150 13257 1 20 . 1 1 91 91 CYS H H 91 7.304 7.304 8.858 -1.554 25150 13258 1 20 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.766 -0.096 25150 13259 1 20 . 1 1 92 92 LEU C C 92 175.822 175.822 176.673 -0.851 25150 13260 1 20 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.565 5.896 25150 13261 1 20 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.217 -3.797 25150 13262 1 20 . 1 1 93 93 SER N N 93 111.707 111.707 123.401 -11.694 25150 13263 1 20 . 1 1 93 93 SER HA H 93 4.331 4.331 4.371 -0.040 25150 13264 1 20 . 1 1 93 93 SER C C 93 177.433 177.433 175.796 1.637 25150 13265 1 20 . 1 1 93 93 SER CA C 93 62.150 62.150 61.054 1.096 25150 13266 1 20 . 1 1 93 93 SER H H 93 9.037 9.037 8.992 0.045 25150 13267 1 20 . 1 1 94 94 ILE N N 94 118.993 118.993 114.406 4.587 25150 13268 1 20 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.441 169.097 25150 13269 1 20 . 1 1 94 94 ILE CA C 94 64.310 64.310 62.392 1.918 25150 13270 1 20 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.150 0.750 25150 13271 1 20 . 1 1 94 94 ILE H H 94 7.859 7.859 7.948 -0.089 25150 13272 1 20 . 1 1 95 95 LEU N N 95 113.763 113.763 119.599 -5.836 25150 13273 1 20 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.504 0.148 25150 13274 1 20 . 1 1 95 95 LEU C C 95 178.458 178.458 177.084 1.374 25150 13275 1 20 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.527 -0.197 25150 13276 1 20 . 1 1 95 95 LEU CB C 95 42.080 42.080 42.665 -0.585 25150 13277 1 20 . 1 1 95 95 LEU H H 95 7.351 7.351 7.880 -0.529 25150 13278 1 20 . 1 1 96 96 THR N N 96 109.929 109.929 112.505 -2.576 25150 13279 1 20 . 1 1 96 96 THR HA H 96 4.338 4.338 4.537 -0.199 25150 13280 1 20 . 1 1 96 96 THR C C 96 175.947 175.947 175.258 0.689 25150 13281 1 20 . 1 1 96 96 THR CA C 96 60.960 60.960 64.254 -3.294 25150 13282 1 20 . 1 1 96 96 THR CB C 96 69.280 69.280 70.910 -1.630 25150 13283 1 20 . 1 1 96 96 THR H H 96 7.794 7.794 7.986 -0.192 25150 13284 1 20 . 1 1 97 97 GLU N N 97 123.314 123.314 119.567 3.747 25150 13285 1 20 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.423 -0.106 25150 13286 1 20 . 1 1 97 97 GLU C C 97 176.907 176.907 176.775 0.132 25150 13287 1 20 . 1 1 97 97 GLU CA C 97 58.680 58.680 57.880 0.800 25150 13288 1 20 . 1 1 97 97 GLU CB C 97 30.790 30.790 31.053 -0.263 25150 13289 1 20 . 1 1 97 97 GLU H H 97 8.913 8.913 8.351 0.562 25150 13290 1 20 . 1 1 98 98 ASP N N 98 116.420 116.420 118.624 -2.204 25150 13291 1 20 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.066 0.124 25150 13292 1 20 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.230 0.271 25150 13293 1 20 . 1 1 98 98 ASP H H 98 8.124 8.124 8.129 -0.005 25150 13294 1 20 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.529 -0.109 25150 13295 1 20 . 1 1 99 99 TRP C C 99 176.495 176.495 174.628 1.867 25150 13296 1 20 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.039 0.390 25150 13297 1 20 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.138 -0.558 25150 13298 1 20 . 1 1 100 100 SER N N 100 120.993 120.993 120.398 0.595 25150 13299 1 20 . 1 1 100 100 SER CA C 100 55.370 55.370 54.612 0.758 25150 13300 1 20 . 1 1 100 100 SER CB C 100 64.860 64.860 64.393 0.467 25150 13301 1 20 . 1 1 100 100 SER H H 100 5.703 5.703 7.205 -1.502 25150 13302 1 20 . 1 1 101 101 PRO HA H 101 4.193 4.193 3.820 0.373 25150 13303 1 20 . 1 1 101 101 PRO C C 101 175.227 175.227 177.051 -1.824 25150 13304 1 20 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.810 -1.110 25150 13305 1 20 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.561 -0.140 25150 13306 1 20 . 1 1 102 102 ALA N N 102 118.668 118.668 118.985 -0.317 25150 13307 1 20 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.133 -0.039 25150 13308 1 20 . 1 1 102 102 ALA C C 102 178.797 178.797 177.767 1.030 25150 13309 1 20 . 1 1 102 102 ALA CA C 102 52.830 52.830 53.147 -0.317 25150 13310 1 20 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.862 0.148 25150 13311 1 20 . 1 1 102 102 ALA H H 102 7.290 7.290 7.292 -0.002 25150 13312 1 20 . 1 1 103 103 LEU N N 103 119.365 119.365 118.869 0.496 25150 13313 1 20 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.190 0.020 25150 13314 1 20 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.464 -0.754 25150 13315 1 20 . 1 1 103 103 LEU H H 103 7.263 7.263 7.369 -0.106 25150 13316 1 20 . 1 1 104 104 SER HA H 104 4.381 4.381 5.406 -1.025 25150 13317 1 20 . 1 1 104 104 SER C C 104 175.278 175.278 176.487 -1.209 25150 13318 1 20 . 1 1 104 104 SER CA C 104 56.500 56.500 56.079 0.421 25150 13319 1 20 . 1 1 104 104 SER CB C 104 66.770 66.770 66.691 0.079 25150 13320 1 20 . 1 1 105 105 VAL N N 105 123.025 123.025 123.039 -0.014 25150 13321 1 20 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.877 -0.265 25150 13322 1 20 . 1 1 105 105 VAL C C 105 179.053 179.053 177.804 1.249 25150 13323 1 20 . 1 1 105 105 VAL CA C 105 68.070 68.070 67.867 0.203 25150 13324 1 20 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.840 -0.220 25150 13325 1 20 . 1 1 105 105 VAL H H 105 9.841 9.841 9.383 0.458 25150 13326 1 20 . 1 1 106 106 GLN N N 106 121.218 121.218 120.313 0.905 25150 13327 1 20 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.987 -0.132 25150 13328 1 20 . 1 1 106 106 GLN C C 106 177.698 177.698 178.236 -0.538 25150 13329 1 20 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.535 1.595 25150 13330 1 20 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.608 -0.378 25150 13331 1 20 . 1 1 106 106 GLN H H 106 9.109 9.109 8.821 0.288 25150 13332 1 20 . 1 1 107 107 SER N N 107 115.531 115.531 114.904 0.627 25150 13333 1 20 . 1 1 107 107 SER C C 107 177.828 177.828 176.746 1.082 25150 13334 1 20 . 1 1 107 107 SER CA C 107 62.500 62.500 61.645 0.855 25150 13335 1 20 . 1 1 107 107 SER CB C 107 62.670 62.670 62.692 -0.022 25150 13336 1 20 . 1 1 107 107 SER H H 107 8.209 8.209 8.052 0.157 25150 13337 1 20 . 1 1 108 108 VAL N N 108 123.756 123.756 123.752 0.004 25150 13338 1 20 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.829 -0.168 25150 13339 1 20 . 1 1 108 108 VAL C C 108 178.087 178.087 178.229 -0.142 25150 13340 1 20 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.843 0.127 25150 13341 1 20 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.726 -0.016 25150 13342 1 20 . 1 1 108 108 VAL H H 108 8.256 8.256 8.132 0.124 25150 13343 1 20 . 1 1 109 109 CYS N N 109 118.175 118.175 118.611 -0.436 25150 13344 1 20 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.274 -0.339 25150 13345 1 20 . 1 1 109 109 CYS C C 109 176.918 176.918 176.964 -0.046 25150 13346 1 20 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.706 1.184 25150 13347 1 20 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.930 0.870 25150 13348 1 20 . 1 1 109 109 CYS H H 109 8.781 8.781 8.515 0.266 25150 13349 1 20 . 1 1 110 110 LEU N N 110 118.491 118.491 120.844 -2.353 25150 13350 1 20 . 1 1 110 110 LEU HA H 110 4.110 4.110 3.931 0.179 25150 13351 1 20 . 1 1 110 110 LEU C C 110 180.150 180.150 178.982 1.168 25150 13352 1 20 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.313 0.167 25150 13353 1 20 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.444 -0.434 25150 13354 1 20 . 1 1 110 110 LEU H H 110 8.543 8.543 8.762 -0.219 25150 13355 1 20 . 1 1 111 111 SER N N 111 117.917 117.917 116.088 1.829 25150 13356 1 20 . 1 1 111 111 SER C C 111 177.009 177.009 176.710 0.299 25150 13357 1 20 . 1 1 111 111 SER CA C 111 63.050 63.050 62.644 0.406 25150 13358 1 20 . 1 1 111 111 SER CB C 111 62.980 62.980 62.801 0.179 25150 13359 1 20 . 1 1 111 111 SER H H 111 8.181 8.181 8.104 0.077 25150 13360 1 20 . 1 1 112 112 ILE N N 112 124.764 124.764 122.773 1.991 25150 13361 1 20 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.603 0.070 25150 13362 1 20 . 1 1 112 112 ILE C C 112 177.441 177.441 177.590 -0.149 25150 13363 1 20 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.460 -0.030 25150 13364 1 20 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.904 0.046 25150 13365 1 20 . 1 1 112 112 ILE H H 112 8.249 8.249 7.978 0.271 25150 13366 1 20 . 1 1 113 113 ILE N N 113 121.123 121.123 121.013 0.110 25150 13367 1 20 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.483 0.113 25150 13368 1 20 . 1 1 113 113 ILE C C 113 179.525 179.525 178.288 1.237 25150 13369 1 20 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.876 0.384 25150 13370 1 20 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.569 1.211 25150 13371 1 20 . 1 1 113 113 ILE H H 113 8.415 8.415 8.564 -0.149 25150 13372 1 20 . 1 1 114 114 SER N N 114 115.247 115.247 116.049 -0.802 25150 13373 1 20 . 1 1 114 114 SER HA H 114 4.300 4.300 4.193 0.107 25150 13374 1 20 . 1 1 114 114 SER C C 114 176.915 176.915 176.664 0.251 25150 13375 1 20 . 1 1 114 114 SER CA C 114 61.510 61.510 62.033 -0.523 25150 13376 1 20 . 1 1 114 114 SER CB C 114 62.990 62.990 63.075 -0.085 25150 13377 1 20 . 1 1 114 114 SER H H 114 8.241 8.241 8.314 -0.073 25150 13378 1 20 . 1 1 115 115 MET N N 115 122.921 122.921 121.433 1.488 25150 13379 1 20 . 1 1 115 115 MET C C 115 179.552 179.552 179.154 0.398 25150 13380 1 20 . 1 1 115 115 MET CA C 115 59.030 59.030 59.351 -0.321 25150 13381 1 20 . 1 1 115 115 MET CB C 115 33.040 33.040 32.760 0.281 25150 13382 1 20 . 1 1 115 115 MET H H 115 8.216 8.216 8.016 0.200 25150 13383 1 20 . 1 1 116 116 LEU N N 116 120.553 120.553 120.163 0.390 25150 13384 1 20 . 1 1 116 116 LEU HA H 116 4.077 4.077 4.039 0.038 25150 13385 1 20 . 1 1 116 116 LEU C C 116 179.264 179.264 178.543 0.721 25150 13386 1 20 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.441 1.329 25150 13387 1 20 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.637 -1.007 25150 13388 1 20 . 1 1 116 116 LEU H H 116 7.981 7.981 8.116 -0.135 25150 13389 1 20 . 1 1 117 117 SER N N 117 114.100 114.100 111.089 3.011 25150 13390 1 20 . 1 1 117 117 SER HA H 117 4.342 4.342 4.426 -0.084 25150 13391 1 20 . 1 1 117 117 SER C C 117 175.042 175.042 175.048 -0.006 25150 13392 1 20 . 1 1 117 117 SER CA C 117 61.700 61.700 60.051 1.649 25150 13393 1 20 . 1 1 117 117 SER CB C 117 63.120 63.120 63.983 -0.863 25150 13394 1 20 . 1 1 117 117 SER H H 117 8.467 8.467 7.897 0.570 25150 13395 1 20 . 1 1 118 118 SER N N 118 113.628 113.628 118.772 -5.144 25150 13396 1 20 . 1 1 118 118 SER HA H 118 4.485 4.485 4.724 -0.239 25150 13397 1 20 . 1 1 118 118 SER C C 118 174.142 174.142 174.286 -0.144 25150 13398 1 20 . 1 1 118 118 SER CA C 118 59.000 59.000 56.705 2.295 25150 13399 1 20 . 1 1 118 118 SER CB C 118 64.040 64.040 63.126 0.914 25150 13400 1 20 . 1 1 118 118 SER H H 118 8.037 8.037 7.980 0.057 25150 13401 1 20 . 1 1 119 119 CYS N N 119 122.293 122.293 124.396 -2.103 25150 13402 1 20 . 1 1 119 119 CYS CA C 119 59.190 59.190 57.784 1.406 25150 13403 1 20 . 1 1 119 119 CYS CB C 119 28.270 28.270 29.410 -1.140 25150 13404 1 20 . 1 1 119 119 CYS H H 119 7.250 7.250 8.202 -0.952 25150 13405 1 20 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.094 0.446 25150 13406 1 20 . 1 1 120 120 LYS C C 120 176.345 176.345 176.152 0.193 25150 13407 1 20 . 1 1 120 120 LYS CA C 120 65.050 65.050 57.327 7.723 25150 13408 1 20 . 1 1 120 120 LYS CB C 120 33.550 33.550 32.364 1.186 25150 13409 1 20 . 1 1 121 121 GLU N N 121 120.936 120.936 125.422 -4.486 25150 13410 1 20 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.243 -0.014 25150 13411 1 20 . 1 1 121 121 GLU C C 121 174.053 174.053 175.800 -1.747 25150 13412 1 20 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.659 -0.469 25150 13413 1 20 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.772 1.918 25150 13414 1 20 . 1 1 121 121 GLU H H 121 7.700 7.700 8.431 -0.731 25150 13415 1 20 . 1 1 122 122 LYS N N 122 127.472 127.472 122.354 5.118 25150 13416 1 20 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.378 -0.516 25150 13417 1 20 . 1 1 122 122 LYS C C 122 174.440 174.440 175.878 -1.438 25150 13418 1 20 . 1 1 122 122 LYS CA C 122 58.280 58.280 55.972 2.308 25150 13419 1 20 . 1 1 122 122 LYS CB C 122 32.410 32.410 33.225 -0.815 25150 13420 1 20 . 1 1 122 122 LYS H H 122 8.890 8.890 8.411 0.479 25150 13421 1 20 . 1 1 123 123 ARG N N 123 123.268 123.268 121.883 1.385 25150 13422 1 20 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.665 -0.395 25150 13423 1 20 . 1 1 123 123 ARG C C 123 172.653 172.653 175.453 -2.800 25150 13424 1 20 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.194 -0.614 25150 13425 1 20 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.474 0.756 25150 13426 1 20 . 1 1 123 123 ARG H H 123 6.841 6.841 8.427 -1.586 25150 13427 1 20 . 1 1 124 124 ARG N N 124 116.787 116.787 121.335 -4.548 25150 13428 1 20 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.038 0.672 25150 13429 1 20 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.854 -0.774 25150 13430 1 20 . 1 1 124 124 ARG H H 124 8.044 8.044 8.521 -0.477 25150 13431 1 20 . 1 1 126 126 PRO CA C 126 64.800 64.800 63.797 1.004 25150 13432 1 20 . 1 1 126 126 PRO CB C 126 31.780 31.780 32.220 -0.440 25150 13433 1 20 . 1 1 127 127 ASP N N 127 115.165 115.165 119.514 -4.349 25150 13434 1 20 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.654 0.470 25150 13435 1 20 . 1 1 127 127 ASP C C 127 172.871 172.871 176.043 -3.172 25150 13436 1 20 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.141 -0.471 25150 13437 1 20 . 1 1 127 127 ASP CB C 127 39.140 39.140 41.029 -1.889 25150 13438 1 20 . 1 1 127 127 ASP H H 127 8.711 8.711 7.879 0.832 25150 13439 1 20 . 1 1 128 128 ASN N N 128 127.858 127.858 123.608 4.250 25150 13440 1 20 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.656 0.824 25150 13441 1 20 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.551 0.009 25150 13442 1 20 . 1 1 128 128 ASN H H 128 8.502 8.502 8.912 -0.410 25150 13443 1 20 . 1 1 129 129 SER C C 129 176.346 176.346 176.166 0.180 25150 13444 1 20 . 1 1 129 129 SER CA C 129 62.330 62.330 61.260 1.070 25150 13445 1 20 . 1 1 130 130 PHE N N 130 121.897 121.897 125.041 -3.144 25150 13446 1 20 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.177 -0.057 25150 13447 1 20 . 1 1 130 130 PHE C C 130 177.740 177.740 176.649 1.091 25150 13448 1 20 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.792 -0.832 25150 13449 1 20 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.980 0.780 25150 13450 1 20 . 1 1 130 130 PHE H H 130 8.022 8.022 8.245 -0.223 25150 13451 1 20 . 1 1 131 131 TYR N N 131 122.173 122.173 120.704 1.469 25150 13452 1 20 . 1 1 131 131 TYR HA H 131 3.746 3.746 3.986 -0.240 25150 13453 1 20 . 1 1 131 131 TYR C C 131 178.140 178.140 177.789 0.351 25150 13454 1 20 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.805 0.485 25150 13455 1 20 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.350 1.190 25150 13456 1 20 . 1 1 131 131 TYR H H 131 8.871 8.871 8.217 0.654 25150 13457 1 20 . 1 1 132 132 VAL N N 132 116.993 116.993 118.371 -1.378 25150 13458 1 20 . 1 1 132 132 VAL C C 132 178.082 178.082 177.933 0.149 25150 13459 1 20 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.670 -0.340 25150 13460 1 20 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.435 0.015 25150 13461 1 20 . 1 1 132 132 VAL H H 132 8.551 8.551 7.810 0.741 25150 13462 1 20 . 1 1 133 133 ARG N N 133 118.860 118.860 119.336 -0.476 25150 13463 1 20 . 1 1 133 133 ARG CA C 133 58.980 58.980 59.892 -0.912 25150 13464 1 20 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.125 0.125 25150 13465 1 20 . 1 1 133 133 ARG H H 133 7.545 7.545 8.397 -0.852 25150 13466 1 20 . 1 1 134 134 THR CA C 134 62.280 62.280 64.790 -2.510 25150 13467 1 20 . 1 1 134 134 THR CB C 134 69.790 69.790 68.040 1.750 25150 13468 1 20 . 1 1 135 135 CYS N N 135 125.959 125.959 118.883 7.076 25150 13469 1 20 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.888 -1.128 25150 13470 1 20 . 1 1 135 135 CYS CB C 135 39.010 39.010 28.069 10.941 25150 13471 1 20 . 1 1 135 135 CYS H H 135 7.881 7.881 7.539 0.342 25150 13472 1 20 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.439 -0.429 25150 13473 1 20 . 1 1 136 136 ASN C C 136 177.768 177.768 176.236 1.532 25150 13474 1 20 . 1 1 136 136 ASN CA C 136 54.160 54.160 55.043 -0.883 25150 13475 1 20 . 1 1 136 136 ASN CB C 136 38.470 38.470 37.884 0.586 25150 13476 1 20 . 1 1 137 137 LYS N N 137 119.224 119.224 116.216 3.008 25150 13477 1 20 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.278 -0.082 25150 13478 1 20 . 1 1 137 137 LYS C C 137 176.185 176.185 175.852 0.333 25150 13479 1 20 . 1 1 137 137 LYS CA C 137 56.980 56.980 55.820 1.160 25150 13480 1 20 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.410 0.460 25150 13481 1 20 . 1 1 137 137 LYS H H 137 7.678 7.678 7.658 0.020 25150 13482 1 20 . 1 1 138 138 ASN N N 138 117.174 117.174 121.139 -3.965 25150 13483 1 20 . 1 1 138 138 ASN CA C 138 51.530 51.530 50.074 1.456 25150 13484 1 20 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.471 0.469 25150 13485 1 20 . 1 1 138 138 ASN H H 138 7.969 7.969 7.462 0.507 25150 13486 1 20 . 1 1 139 139 PRO HA H 139 4.398 4.398 3.868 0.530 25150 13487 1 20 . 1 1 139 139 PRO C C 139 177.335 177.335 177.404 -0.069 25150 13488 1 20 . 1 1 139 139 PRO CA C 139 63.850 63.850 64.742 -0.892 25150 13489 1 20 . 1 1 139 139 PRO CB C 139 32.110 32.110 31.718 0.392 25150 13490 1 20 . 1 1 140 140 LYS N N 140 118.218 118.218 113.913 4.305 25150 13491 1 20 . 1 1 140 140 LYS HA H 140 32.650 32.650 2.269 30.381 25150 13492 1 20 . 1 1 140 140 LYS C C 140 176.564 176.564 177.258 -0.694 25150 13493 1 20 . 1 1 140 140 LYS CA C 140 56.990 56.990 57.326 -0.336 25150 13494 1 20 . 1 1 140 140 LYS H H 140 8.108 8.108 7.830 0.278 25150 13495 1 20 . 1 1 141 141 LYS N N 141 119.276 119.276 116.418 2.858 25150 13496 1 20 . 1 1 141 141 LYS C C 141 177.924 177.924 176.810 1.114 25150 13497 1 20 . 1 1 141 141 LYS CA C 141 56.100 56.100 54.950 1.150 25150 13498 1 20 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.066 -2.286 25150 13499 1 20 . 1 1 141 141 LYS H H 141 8.135 8.135 7.256 0.879 25150 13500 1 20 . 1 1 142 142 THR N N 142 115.380 115.380 118.207 -2.827 25150 13501 1 20 . 1 1 142 142 THR CA C 142 61.850 61.850 63.208 -1.357 25150 13502 1 20 . 1 1 142 142 THR CB C 142 69.660 69.660 69.159 0.501 25150 13503 1 20 . 1 1 142 142 THR H H 142 8.030 8.030 7.321 0.709 25150 13504 1 20 . 1 1 143 143 LYS C C 143 178.955 178.955 176.877 2.078 25150 13505 1 20 . 1 1 144 144 TRP N N 144 120.470 120.470 114.448 6.022 25150 13506 1 20 . 1 1 144 144 TRP C C 144 176.557 176.557 175.397 1.160 25150 13507 1 20 . 1 1 144 144 TRP CA C 144 57.870 57.870 54.939 2.931 25150 13508 1 20 . 1 1 144 144 TRP CB C 144 33.000 33.000 28.829 4.171 25150 13509 1 20 . 1 1 144 144 TRP H H 144 8.094 8.094 6.890 1.204 25150 13510 1 20 . 1 1 145 145 TRP N N 145 120.330 120.330 125.106 -4.776 25150 13511 1 20 . 1 1 145 145 TRP CA C 145 57.120 57.120 57.146 -0.026 25150 13512 1 20 . 1 1 145 145 TRP CB C 145 32.850 32.850 29.869 2.981 25150 13513 1 20 . 1 1 145 145 TRP H H 145 8.488 8.488 7.596 0.892 25150 13514 1 20 . 1 1 146 146 TYR C C 146 174.706 174.706 174.164 0.542 25150 13515 1 20 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.312 0.118 25150 13516 1 20 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.804 -0.064 25150 13517 1 20 . 1 1 147 147 HIS N N 147 121.604 121.604 114.944 6.660 25150 13518 1 20 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.686 -0.500 25150 13519 1 20 . 1 1 147 147 HIS C C 147 176.874 176.874 175.362 1.512 25150 13520 1 20 . 1 1 147 147 HIS CA C 147 56.240 56.240 54.548 1.692 25150 13521 1 20 . 1 1 147 147 HIS CB C 147 31.200 31.200 31.928 -0.728 25150 13522 1 20 . 1 1 147 147 HIS H H 147 7.886 7.886 8.015 -0.129 25150 13523 1 20 . 1 1 148 148 ASP N N 148 122.629 122.629 124.407 -1.778 25150 13524 1 20 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.554 -0.010 25150 13525 1 20 . 1 1 148 148 ASP C C 148 175.661 175.661 175.500 0.161 25150 13526 1 20 . 1 1 148 148 ASP CA C 148 54.180 54.180 53.843 0.337 25150 13527 1 20 . 1 1 148 148 ASP CB C 148 41.680 41.680 39.312 2.369 25150 13528 1 20 . 1 1 148 148 ASP H H 148 8.109 8.109 8.872 -0.763 25150 13529 1 20 . 1 1 149 149 ASP N N 149 121.321 121.321 118.925 2.396 25150 13530 1 20 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.493 0.161 25150 13531 1 20 . 1 1 149 149 ASP C C 149 176.551 176.551 176.230 0.321 25150 13532 1 20 . 1 1 149 149 ASP CA C 149 54.610 54.610 55.752 -1.142 25150 13533 1 20 . 1 1 149 149 ASP CB C 149 41.360 41.360 39.300 2.060 25150 13534 1 20 . 1 1 149 149 ASP H H 149 8.395 8.395 8.247 0.148 25150 13535 1 20 . 1 1 150 150 THR N N 150 113.450 113.450 109.127 4.323 25150 13536 1 20 . 1 1 150 150 THR HA H 150 4.296 4.296 4.468 -0.172 25150 13537 1 20 . 1 1 150 150 THR C C 150 173.994 173.994 174.515 -0.521 25150 13538 1 20 . 1 1 150 150 THR CA C 150 62.310 62.310 62.543 -0.233 25150 13539 1 20 . 1 1 150 150 THR CB C 150 69.870 69.870 70.444 -0.574 25150 13540 1 20 . 1 1 150 150 THR H H 150 8.259 8.259 8.886 -0.627 25150 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 112 3.408 0.872 3.309 25150 2 1 1 "Average Difference" HA 94 17.736 -2.053 17.711 25150 3 1 1 "Average Difference" C 104 1.201 -0.020 1.207 25150 4 1 1 "Average Difference" CA 136 4.371 -0.032 4.387 25150 5 1 1 "Average Difference" CB 125 1.855 -0.266 1.843 25150 6 1 1 "Average Difference" HN 112 0.541 0.037 0.542 25150 7 1 2 "Average Difference" N 112 3.745 0.860 3.662 25150 8 1 2 "Average Difference" HA 94 17.731 -2.115 17.699 25150 9 1 2 "Average Difference" C 104 1.190 -0.049 1.195 25150 10 1 2 "Average Difference" CA 136 4.446 0.102 4.462 25150 11 1 2 "Average Difference" CB 125 1.943 -0.377 1.914 25150 12 1 2 "Average Difference" HN 112 0.567 0.018 0.569 25150 13 1 3 "Average Difference" N 112 3.379 0.565 3.346 25150 14 1 3 "Average Difference" HA 94 17.739 -2.075 17.712 25150 15 1 3 "Average Difference" C 104 1.270 0.041 1.276 25150 16 1 3 "Average Difference" CA 136 4.413 0.048 4.429 25150 17 1 3 "Average Difference" CB 125 2.065 -0.466 2.020 25150 18 1 3 "Average Difference" HN 112 0.551 0.005 0.554 25150 19 1 4 "Average Difference" N 112 3.834 0.674 3.791 25150 20 1 4 "Average Difference" HA 94 17.741 -2.126 17.708 25150 21 1 4 "Average Difference" C 104 1.163 0.028 1.169 25150 22 1 4 "Average Difference" CA 136 4.363 0.041 4.379 25150 23 1 4 "Average Difference" CB 125 1.893 -0.435 1.849 25150 24 1 4 "Average Difference" HN 112 0.525 0.003 0.527 25150 25 1 5 "Average Difference" N 112 3.737 1.078 3.595 25150 26 1 5 "Average Difference" HA 94 17.756 -2.106 17.725 25150 27 1 5 "Average Difference" C 104 1.213 0.015 1.219 25150 28 1 5 "Average Difference" CA 136 4.385 0.092 4.401 25150 29 1 5 "Average Difference" CB 125 1.874 -0.462 1.824 25150 30 1 5 "Average Difference" HN 112 0.539 0.017 0.541 25150 31 1 6 "Average Difference" N 112 3.669 0.607 3.634 25150 32 1 6 "Average Difference" HA 94 17.741 -2.065 17.715 25150 33 1 6 "Average Difference" C 104 1.156 -0.037 1.161 25150 34 1 6 "Average Difference" CA 136 4.377 0.059 4.393 25150 35 1 6 "Average Difference" CB 125 1.885 -0.322 1.865 25150 36 1 6 "Average Difference" HN 112 0.610 -0.008 0.612 25150 37 1 7 "Average Difference" N 112 3.543 0.886 3.446 25150 38 1 7 "Average Difference" HA 94 17.747 -2.083 17.719 25150 39 1 7 "Average Difference" C 104 1.183 -0.020 1.188 25150 40 1 7 "Average Difference" CA 136 4.384 0.040 4.400 25150 41 1 7 "Average Difference" CB 125 1.748 -0.330 1.723 25150 42 1 7 "Average Difference" HN 112 0.568 0.008 0.571 25150 43 1 8 "Average Difference" N 112 3.678 0.637 3.639 25150 44 1 8 "Average Difference" HA 94 17.718 -2.059 17.693 25150 45 1 8 "Average Difference" C 104 1.145 -0.033 1.150 25150 46 1 8 "Average Difference" CA 136 4.464 0.060 4.480 25150 47 1 8 "Average Difference" CB 125 1.951 -0.298 1.936 25150 48 1 8 "Average Difference" HN 112 0.584 -0.001 0.586 25150 49 1 9 "Average Difference" N 112 3.654 0.783 3.586 25150 50 1 9 "Average Difference" HA 94 17.739 -2.077 17.711 25150 51 1 9 "Average Difference" C 104 1.156 -0.001 1.162 25150 52 1 9 "Average Difference" CA 136 4.361 -0.019 4.377 25150 53 1 9 "Average Difference" CB 125 1.922 -0.373 1.894 25150 54 1 9 "Average Difference" HN 112 0.582 0.006 0.584 25150 55 1 10 "Average Difference" N 112 3.100 0.555 3.064 25150 56 1 10 "Average Difference" HA 94 17.724 -2.063 17.698 25150 57 1 10 "Average Difference" C 104 1.245 -0.073 1.249 25150 58 1 10 "Average Difference" CA 136 4.476 0.007 4.493 25150 59 1 10 "Average Difference" CB 125 2.011 -0.374 1.984 25150 60 1 10 "Average Difference" HN 112 0.565 -0.014 0.567 25150 61 1 11 "Average Difference" N 112 3.722 0.480 3.707 25150 62 1 11 "Average Difference" HA 94 17.738 -2.043 17.714 25150 63 1 11 "Average Difference" C 104 1.195 -0.184 1.187 25150 64 1 11 "Average Difference" CA 136 4.448 -0.109 4.463 25150 65 1 11 "Average Difference" CB 125 1.895 -0.239 1.888 25150 66 1 11 "Average Difference" HN 112 0.599 0.003 0.601 25150 67 1 12 "Average Difference" N 112 3.402 0.584 3.367 25150 68 1 12 "Average Difference" HA 94 17.721 -2.068 17.694 25150 69 1 12 "Average Difference" C 104 1.249 -0.023 1.255 25150 70 1 12 "Average Difference" CA 136 4.381 0.052 4.397 25150 71 1 12 "Average Difference" CB 125 1.754 -0.278 1.738 25150 72 1 12 "Average Difference" HN 112 0.542 -0.001 0.545 25150 73 1 13 "Average Difference" N 112 3.391 0.666 3.340 25150 74 1 13 "Average Difference" HA 94 17.733 -2.089 17.704 25150 75 1 13 "Average Difference" C 104 1.103 0.023 1.108 25150 76 1 13 "Average Difference" CA 136 4.415 0.028 4.431 25150 77 1 13 "Average Difference" CB 125 1.936 -0.387 1.904 25150 78 1 13 "Average Difference" HN 112 0.599 -0.016 0.601 25150 79 1 14 "Average Difference" N 112 3.587 0.508 3.566 25150 80 1 14 "Average Difference" HA 94 17.737 -2.065 17.711 25150 81 1 14 "Average Difference" C 104 1.195 0.084 1.197 25150 82 1 14 "Average Difference" CA 136 4.371 0.078 4.386 25150 83 1 14 "Average Difference" CB 125 1.957 -0.311 1.940 25150 84 1 14 "Average Difference" HN 112 0.523 0.020 0.525 25150 85 1 15 "Average Difference" N 112 3.650 0.801 3.577 25150 86 1 15 "Average Difference" HA 94 17.742 -2.037 17.719 25150 87 1 15 "Average Difference" C 104 1.192 -0.039 1.197 25150 88 1 15 "Average Difference" CA 136 4.397 -0.056 4.413 25150 89 1 15 "Average Difference" CB 125 1.912 -0.238 1.905 25150 90 1 15 "Average Difference" HN 112 0.556 -0.012 0.558 25150 91 1 16 "Average Difference" N 112 3.488 0.380 3.483 25150 92 1 16 "Average Difference" HA 94 17.696 -2.052 17.671 25150 93 1 16 "Average Difference" C 104 1.270 -0.022 1.276 25150 94 1 16 "Average Difference" CA 136 4.524 0.160 4.538 25150 95 1 16 "Average Difference" CB 125 1.798 -0.378 1.765 25150 96 1 16 "Average Difference" HN 112 0.512 0.007 0.515 25150 97 1 17 "Average Difference" N 112 3.301 0.349 3.297 25150 98 1 17 "Average Difference" HA 94 17.746 -2.062 17.720 25150 99 1 17 "Average Difference" C 104 1.213 0.003 1.219 25150 100 1 17 "Average Difference" CA 136 4.443 0.109 4.458 25150 101 1 17 "Average Difference" CB 125 1.843 -0.220 1.837 25150 102 1 17 "Average Difference" HN 112 0.534 0.019 0.536 25150 103 1 18 "Average Difference" N 112 3.201 0.176 3.211 25150 104 1 18 "Average Difference" HA 94 17.743 -2.055 17.718 25150 105 1 18 "Average Difference" C 104 1.254 -0.045 1.260 25150 106 1 18 "Average Difference" CA 136 4.468 -0.039 4.485 25150 107 1 18 "Average Difference" CB 125 1.794 -0.331 1.771 25150 108 1 18 "Average Difference" HN 112 0.572 0.011 0.575 25150 109 1 19 "Average Difference" N 112 3.418 0.542 3.390 25150 110 1 19 "Average Difference" HA 94 17.728 -2.096 17.698 25150 111 1 19 "Average Difference" C 104 1.123 -0.043 1.127 25150 112 1 19 "Average Difference" CA 136 4.448 0.061 4.464 25150 113 1 19 "Average Difference" CB 125 2.040 -0.344 2.019 25150 114 1 19 "Average Difference" HN 112 0.542 -0.004 0.544 25150 115 1 20 "Average Difference" N 112 3.676 0.667 3.632 25150 116 1 20 "Average Difference" HA 94 17.723 -2.071 17.696 25150 117 1 20 "Average Difference" C 104 1.039 -0.049 1.043 25150 118 1 20 "Average Difference" CA 136 4.355 0.038 4.371 25150 119 1 20 "Average Difference" CB 125 1.907 -0.352 1.882 25150 120 1 20 "Average Difference" HN 112 0.611 -0.009 0.613 25150 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 25150 _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 6 6 LYS HA H 6 4.294 4.294 4.163 0.131 25150 2 1 . 1 1 6 6 LYS C C 6 176.970 176.970 179.090 -2.120 25150 3 1 . 1 1 6 6 LYS CA C 6 58.370 58.370 59.629 -1.259 25150 4 1 . 1 1 6 6 LYS CB C 6 32.480 32.480 32.280 0.200 25150 5 1 . 1 1 7 7 ARG N N 7 119.704 119.704 120.086 -0.382 25150 6 1 . 1 1 7 7 ARG HA H 7 4.198 4.198 4.089 0.109 25150 7 1 . 1 1 7 7 ARG C C 7 178.270 178.270 178.615 -0.345 25150 8 1 . 1 1 7 7 ARG CA C 7 59.030 59.030 58.913 0.117 25150 9 1 . 1 1 7 7 ARG CB C 7 28.560 28.560 29.867 -1.307 25150 10 1 . 1 1 7 7 ARG H H 7 8.599 8.599 8.031 0.568 25150 11 1 . 1 1 8 8 LEU N N 8 119.704 119.704 120.489 -0.785 25150 12 1 . 1 1 8 8 LEU HA H 8 4.090 4.090 3.998 0.092 25150 13 1 . 1 1 8 8 LEU C C 8 178.980 178.980 178.823 0.157 25150 14 1 . 1 1 8 8 LEU CA C 8 58.290 58.290 57.902 0.388 25150 15 1 . 1 1 8 8 LEU CB C 8 42.060 42.060 41.478 0.582 25150 16 1 . 1 1 8 8 LEU H H 8 8.599 8.599 8.186 0.413 25150 17 1 . 1 1 9 9 GLN N N 9 117.512 117.512 118.535 -1.023 25150 18 1 . 1 1 9 9 GLN HA H 9 4.037 4.037 3.932 0.105 25150 19 1 . 1 1 9 9 GLN C C 9 178.610 178.610 178.493 0.117 25150 20 1 . 1 1 9 9 GLN CA C 9 59.310 59.310 59.193 0.117 25150 21 1 . 1 1 9 9 GLN CB C 9 28.480 28.480 28.404 0.076 25150 22 1 . 1 1 9 9 GLN H H 9 8.066 8.066 8.364 -0.298 25150 23 1 . 1 1 10 10 LYS N N 10 119.556 119.556 119.903 -0.347 25150 24 1 . 1 1 10 10 LYS HA H 10 4.080 4.080 3.951 0.129 25150 25 1 . 1 1 10 10 LYS C C 10 180.040 180.040 179.054 0.986 25150 26 1 . 1 1 10 10 LYS CA C 10 59.680 59.680 59.812 -0.132 25150 27 1 . 1 1 10 10 LYS CB C 10 32.460 32.460 32.263 0.197 25150 28 1 . 1 1 10 10 LYS H H 10 7.678 7.678 8.153 -0.475 25150 29 1 . 1 1 11 11 GLU N N 11 120.347 120.347 120.154 0.193 25150 30 1 . 1 1 11 11 GLU HA H 11 4.176 4.176 4.067 0.109 25150 31 1 . 1 1 11 11 GLU C C 11 178.770 178.770 178.867 -0.097 25150 32 1 . 1 1 11 11 GLU CA C 11 61.040 61.040 59.311 1.729 25150 33 1 . 1 1 11 11 GLU CB C 11 30.660 30.660 29.588 1.072 25150 34 1 . 1 1 11 11 GLU H H 11 8.533 8.533 8.079 0.454 25150 35 1 . 1 1 12 12 LEU N N 12 123.285 123.285 120.977 2.308 25150 36 1 . 1 1 12 12 LEU C C 12 178.570 178.570 178.779 -0.209 25150 37 1 . 1 1 12 12 LEU CA C 12 58.120 58.120 57.847 0.272 25150 38 1 . 1 1 12 12 LEU CB C 12 41.080 41.080 41.665 -0.585 25150 39 1 . 1 1 12 12 LEU H H 12 8.685 8.685 8.231 0.454 25150 40 1 . 1 1 13 13 LEU N N 13 118.881 118.881 118.744 0.137 25150 41 1 . 1 1 13 13 LEU HA H 13 3.997 3.997 4.022 -0.025 25150 42 1 . 1 1 13 13 LEU C C 13 179.260 179.260 179.074 0.186 25150 43 1 . 1 1 13 13 LEU CA C 13 57.900 57.900 57.728 0.172 25150 44 1 . 1 1 13 13 LEU CB C 13 41.890 41.890 41.342 0.548 25150 45 1 . 1 1 13 13 LEU H H 13 7.588 7.588 8.193 -0.605 25150 46 1 . 1 1 14 14 ALA N N 14 120.667 120.667 122.479 -1.812 25150 47 1 . 1 1 14 14 ALA HA H 14 4.190 4.190 4.011 0.179 25150 48 1 . 1 1 14 14 ALA C C 14 176.270 176.270 179.665 -3.395 25150 49 1 . 1 1 14 14 ALA CA C 14 55.190 55.190 55.187 0.003 25150 50 1 . 1 1 14 14 ALA CB C 14 18.030 18.030 18.210 -0.180 25150 51 1 . 1 1 14 14 ALA H H 14 7.617 7.617 8.096 -0.479 25150 52 1 . 1 1 15 15 LEU N N 15 119.965 119.965 118.186 1.779 25150 53 1 . 1 1 15 15 LEU CA C 15 57.450 57.450 56.880 0.570 25150 54 1 . 1 1 15 15 LEU CB C 15 42.260 42.260 41.718 0.542 25150 55 1 . 1 1 15 15 LEU H H 15 7.726 7.726 7.989 -0.263 25150 56 1 . 1 1 16 16 GLN N N 16 115.381 115.381 117.169 -1.788 25150 57 1 . 1 1 16 16 GLN HA H 16 3.978 3.978 4.030 -0.052 25150 58 1 . 1 1 16 16 GLN C C 16 177.950 177.950 177.972 -0.022 25150 59 1 . 1 1 16 16 GLN CA C 16 58.460 58.460 58.140 0.320 25150 60 1 . 1 1 16 16 GLN CB C 16 29.790 29.790 28.817 0.973 25150 61 1 . 1 1 16 16 GLN H H 16 8.028 8.028 8.095 -0.067 25150 62 1 . 1 1 17 17 ASN N N 17 114.975 114.975 116.787 -1.812 25150 63 1 . 1 1 17 17 ASN HA H 17 4.630 4.630 4.607 0.023 25150 64 1 . 1 1 17 17 ASN C C 17 175.303 175.303 175.335 -0.032 25150 65 1 . 1 1 17 17 ASN CA C 17 54.880 54.880 55.039 -0.160 25150 66 1 . 1 1 17 17 ASN CB C 17 39.850 39.850 39.259 0.590 25150 67 1 . 1 1 17 17 ASN H H 17 8.136 8.136 8.036 0.100 25150 68 1 . 1 1 18 18 ASP N N 18 119.698 119.698 118.316 1.382 25150 69 1 . 1 1 18 18 ASP CA C 18 52.460 52.460 51.350 1.110 25150 70 1 . 1 1 18 18 ASP CB C 18 41.510 41.510 42.258 -0.748 25150 71 1 . 1 1 18 18 ASP H H 18 8.218 8.218 8.074 0.144 25150 72 1 . 1 1 21 21 PRO HA H 21 4.315 4.315 4.315 0.000 25150 73 1 . 1 1 21 21 PRO C C 21 177.867 177.867 177.725 0.142 25150 74 1 . 1 1 21 21 PRO CA C 21 63.820 63.820 64.141 -0.321 25150 75 1 . 1 1 21 21 PRO CB C 21 31.570 31.570 31.682 -0.112 25150 76 1 . 1 1 22 22 GLY N N 22 111.293 111.293 111.763 -0.470 25150 77 1 . 1 1 22 22 GLY C C 22 174.342 174.342 173.818 0.524 25150 78 1 . 1 1 22 22 GLY CA C 22 45.990 45.990 45.148 0.843 25150 79 1 . 1 1 22 22 GLY H H 22 8.506 8.506 8.642 -0.136 25150 80 1 . 1 1 23 23 MET N N 23 118.966 118.966 120.167 -1.201 25150 81 1 . 1 1 23 23 MET HA H 23 5.699 5.699 5.455 0.244 25150 82 1 . 1 1 23 23 MET C C 23 175.386 175.386 174.927 0.459 25150 83 1 . 1 1 23 23 MET CA C 23 55.270 55.270 54.369 0.901 25150 84 1 . 1 1 23 23 MET CB C 23 35.890 35.890 35.420 0.470 25150 85 1 . 1 1 23 23 MET H H 23 8.017 8.017 7.903 0.114 25150 86 1 . 1 1 24 24 THR N N 24 112.647 112.647 121.049 -8.402 25150 87 1 . 1 1 24 24 THR HA H 24 4.596 4.596 4.638 -0.042 25150 88 1 . 1 1 24 24 THR C C 24 173.407 173.407 173.182 0.225 25150 89 1 . 1 1 24 24 THR CA C 24 60.850 60.850 61.610 -0.760 25150 90 1 . 1 1 24 24 THR CB C 24 72.360 72.360 71.010 1.350 25150 91 1 . 1 1 24 24 THR H H 24 8.565 8.565 8.920 -0.355 25150 92 1 . 1 1 25 25 LEU N N 25 126.920 126.920 126.842 0.078 25150 93 1 . 1 1 25 25 LEU HA H 25 4.296 4.296 4.739 -0.443 25150 94 1 . 1 1 25 25 LEU C C 25 175.624 175.624 175.695 -0.071 25150 95 1 . 1 1 25 25 LEU CA C 25 56.170 56.170 54.363 1.807 25150 96 1 . 1 1 25 25 LEU CB C 25 42.710 42.710 43.504 -0.794 25150 97 1 . 1 1 25 25 LEU H H 25 9.189 9.189 8.574 0.615 25150 98 1 . 1 1 26 26 ASN N N 26 127.108 127.108 122.406 4.702 25150 99 1 . 1 1 26 26 ASN C C 26 173.783 173.783 173.692 0.091 25150 100 1 . 1 1 26 26 ASN CA C 26 54.100 54.100 52.082 2.018 25150 101 1 . 1 1 26 26 ASN CB C 26 40.370 40.370 40.627 -0.257 25150 102 1 . 1 1 26 26 ASN H H 26 9.000 9.000 8.747 0.253 25150 103 1 . 1 1 27 27 GLU N N 27 108.990 108.990 121.737 -12.747 25150 104 1 . 1 1 27 27 GLU CA C 27 56.610 56.610 56.066 0.544 25150 105 1 . 1 1 27 27 GLU H H 27 7.631 7.631 8.462 -0.831 25150 106 1 . 1 1 30 30 VAL C C 30 177.011 177.011 176.639 0.372 25150 107 1 . 1 1 30 30 VAL CA C 30 55.230 55.230 61.647 -6.417 25150 108 1 . 1 1 30 30 VAL CB C 30 30.860 30.860 33.309 -2.449 25150 109 1 . 1 1 31 31 GLN N N 31 125.960 125.960 122.369 3.591 25150 110 1 . 1 1 31 31 GLN CA C 31 58.430 58.430 57.744 0.686 25150 111 1 . 1 1 31 31 GLN CB C 31 29.130 29.130 28.713 0.417 25150 112 1 . 1 1 31 31 GLN H H 31 7.880 7.880 8.567 -0.687 25150 113 1 . 1 1 34 34 ILE HA H 34 4.660 4.660 4.352 0.308 25150 114 1 . 1 1 34 34 ILE C C 34 178.642 178.642 175.844 2.798 25150 115 1 . 1 1 34 34 ILE CA C 34 54.970 54.970 60.905 -5.935 25150 116 1 . 1 1 34 34 ILE CB C 34 42.000 42.000 38.913 3.086 25150 117 1 . 1 1 35 35 THR N N 35 110.980 110.980 116.692 -5.712 25150 118 1 . 1 1 35 35 THR CA C 35 61.070 61.070 62.947 -1.877 25150 119 1 . 1 1 35 35 THR CB C 35 69.090 69.090 68.972 0.118 25150 120 1 . 1 1 35 35 THR H H 35 7.825 7.825 8.276 -0.451 25150 121 1 . 1 1 36 36 GLN HA H 36 5.624 5.624 5.106 0.518 25150 122 1 . 1 1 36 36 GLN C C 36 174.178 174.178 174.659 -0.481 25150 123 1 . 1 1 36 36 GLN CA C 36 55.090 55.090 54.574 0.516 25150 124 1 . 1 1 36 36 GLN CB C 36 32.290 32.290 31.551 0.739 25150 125 1 . 1 1 37 37 TRP N N 37 123.942 123.942 124.348 -0.406 25150 126 1 . 1 1 37 37 TRP HA H 37 5.576 5.576 5.065 0.511 25150 127 1 . 1 1 37 37 TRP C C 37 174.959 174.959 175.087 -0.128 25150 128 1 . 1 1 37 37 TRP CA C 37 53.630 53.630 55.253 -1.623 25150 129 1 . 1 1 37 37 TRP CB C 37 32.950 32.950 32.154 0.796 25150 130 1 . 1 1 37 37 TRP H H 37 9.242 9.242 9.062 0.180 25150 131 1 . 1 1 38 38 ILE N N 38 121.559 121.559 123.106 -1.547 25150 132 1 . 1 1 38 38 ILE HA H 38 5.279 5.279 5.054 0.225 25150 133 1 . 1 1 38 38 ILE CA C 38 59.430 59.430 60.311 -0.881 25150 134 1 . 1 1 38 38 ILE CB C 38 39.240 39.240 39.871 -0.631 25150 135 1 . 1 1 38 38 ILE H H 38 8.778 8.778 8.880 -0.102 25150 136 1 . 1 1 39 39 VAL N N 39 128.719 128.719 127.569 1.150 25150 137 1 . 1 1 39 39 VAL HA H 39 4.581 4.581 4.817 -0.236 25150 138 1 . 1 1 39 39 VAL C C 39 175.175 175.175 174.774 0.401 25150 139 1 . 1 1 39 39 VAL CA C 39 61.250 61.250 60.467 0.783 25150 140 1 . 1 1 39 39 VAL CB C 39 35.850 35.850 34.657 1.193 25150 141 1 . 1 1 39 39 VAL H H 39 9.533 9.533 9.099 0.434 25150 142 1 . 1 1 40 40 ASP N N 40 128.451 128.451 128.274 0.177 25150 143 1 . 1 1 40 40 ASP HA H 40 5.218 5.218 5.392 -0.174 25150 144 1 . 1 1 40 40 ASP C C 40 175.157 175.157 175.057 0.100 25150 145 1 . 1 1 40 40 ASP CA C 40 55.310 55.310 53.550 1.760 25150 146 1 . 1 1 40 40 ASP CB C 40 42.500 42.500 42.779 -0.279 25150 147 1 . 1 1 40 40 ASP H H 40 9.165 9.165 8.846 0.319 25150 148 1 . 1 1 41 41 MET N N 41 120.544 120.544 122.758 -2.214 25150 149 1 . 1 1 41 41 MET HA H 41 5.467 5.467 5.399 0.068 25150 150 1 . 1 1 41 41 MET C C 41 173.590 173.590 174.289 -0.699 25150 151 1 . 1 1 41 41 MET CA C 41 54.610 54.610 54.357 0.253 25150 152 1 . 1 1 41 41 MET CB C 41 37.490 37.490 37.410 0.080 25150 153 1 . 1 1 41 41 MET H H 41 8.756 8.756 9.062 -0.306 25150 154 1 . 1 1 42 42 GLU N N 42 125.740 125.740 125.625 0.115 25150 155 1 . 1 1 42 42 GLU HA H 42 5.010 5.010 5.173 -0.163 25150 156 1 . 1 1 42 42 GLU C C 42 177.323 177.323 177.116 0.207 25150 157 1 . 1 1 42 42 GLU CA C 42 54.480 54.480 54.468 0.011 25150 158 1 . 1 1 42 42 GLU CB C 42 32.260 32.260 32.996 -0.736 25150 159 1 . 1 1 42 42 GLU H H 42 8.706 8.706 8.534 0.172 25150 160 1 . 1 1 43 43 GLY N N 43 111.314 111.314 112.938 -1.624 25150 161 1 . 1 1 43 43 GLY C C 43 174.121 174.121 173.832 0.289 25150 162 1 . 1 1 43 43 GLY CA C 43 45.390 45.390 45.216 0.174 25150 163 1 . 1 1 43 43 GLY H H 43 8.917 8.917 8.755 0.162 25150 164 1 . 1 1 44 44 ALA N N 44 128.665 128.665 127.028 1.637 25150 165 1 . 1 1 44 44 ALA CA C 44 51.060 51.060 50.318 0.742 25150 166 1 . 1 1 44 44 ALA CB C 44 18.470 18.470 18.778 -0.308 25150 167 1 . 1 1 44 44 ALA H H 44 8.918 8.918 8.539 0.379 25150 168 1 . 1 1 45 45 PRO HA H 45 4.300 4.300 4.180 0.120 25150 169 1 . 1 1 45 45 PRO C C 45 177.598 177.598 177.488 0.110 25150 170 1 . 1 1 45 45 PRO CA C 45 63.410 63.410 64.211 -0.801 25150 171 1 . 1 1 45 45 PRO CB C 45 31.790 31.790 31.332 0.458 25150 172 1 . 1 1 46 46 GLY N N 46 111.319 111.319 113.157 -1.838 25150 173 1 . 1 1 46 46 GLY C C 46 174.290 174.290 174.620 -0.330 25150 174 1 . 1 1 46 46 GLY CA C 46 45.910 45.910 45.232 0.677 25150 175 1 . 1 1 46 46 GLY H H 46 9.449 9.449 9.356 0.093 25150 176 1 . 1 1 47 47 THR N N 47 107.981 107.981 112.271 -4.290 25150 177 1 . 1 1 47 47 THR HA H 47 4.801 4.801 4.609 0.192 25150 178 1 . 1 1 47 47 THR C C 47 176.158 176.158 176.056 0.102 25150 179 1 . 1 1 47 47 THR CA C 47 60.380 60.380 59.965 0.415 25150 180 1 . 1 1 47 47 THR CB C 47 73.420 73.420 71.190 2.230 25150 181 1 . 1 1 47 47 THR H H 47 7.426 7.426 7.505 -0.079 25150 182 1 . 1 1 48 48 LEU N N 48 119.132 119.132 120.656 -1.524 25150 183 1 . 1 1 48 48 LEU HA H 48 4.057 4.057 4.108 -0.051 25150 184 1 . 1 1 48 48 LEU C C 48 175.907 175.907 177.085 -1.178 25150 185 1 . 1 1 48 48 LEU CA C 48 56.490 56.490 56.727 -0.237 25150 186 1 . 1 1 48 48 LEU CB C 48 41.620 41.620 41.522 0.098 25150 187 1 . 1 1 48 48 LEU H H 48 8.966 8.966 8.825 0.141 25150 188 1 . 1 1 49 49 TYR N N 49 113.649 113.649 114.761 -1.111 25150 189 1 . 1 1 49 49 TYR HA H 49 4.825 4.825 4.886 -0.061 25150 190 1 . 1 1 49 49 TYR C C 49 174.634 174.634 175.404 -0.770 25150 191 1 . 1 1 49 49 TYR CA C 49 56.110 56.110 56.313 -0.203 25150 192 1 . 1 1 49 49 TYR CB C 49 38.390 38.390 38.805 -0.415 25150 193 1 . 1 1 49 49 TYR H H 49 7.205 7.205 7.673 -0.468 25150 194 1 . 1 1 50 50 GLU N N 50 122.006 122.006 121.996 0.010 25150 195 1 . 1 1 50 50 GLU HA H 50 3.477 3.477 4.083 -0.606 25150 196 1 . 1 1 50 50 GLU C C 50 177.182 177.182 177.706 -0.524 25150 197 1 . 1 1 50 50 GLU CA C 50 58.100 58.100 58.185 -0.085 25150 198 1 . 1 1 50 50 GLU CB C 50 30.040 30.040 29.042 0.998 25150 199 1 . 1 1 50 50 GLU H H 50 6.934 6.934 7.556 -0.622 25150 200 1 . 1 1 51 51 GLY N N 51 115.165 115.165 115.771 -0.606 25150 201 1 . 1 1 51 51 GLY C C 51 173.997 173.997 174.215 -0.218 25150 202 1 . 1 1 51 51 GLY CA C 51 45.500 45.500 44.951 0.549 25150 203 1 . 1 1 51 51 GLY H H 51 8.752 8.752 8.687 0.065 25150 204 1 . 1 1 52 52 GLU N N 52 120.251 120.251 121.955 -1.704 25150 205 1 . 1 1 52 52 GLU HA H 52 3.970 3.970 4.283 -0.313 25150 206 1 . 1 1 52 52 GLU CA C 52 56.440 56.440 55.889 0.551 25150 207 1 . 1 1 52 52 GLU CB C 52 32.700 32.700 30.824 1.876 25150 208 1 . 1 1 52 52 GLU H H 52 7.900 7.900 8.153 -0.253 25150 209 1 . 1 1 53 53 LYS N N 53 120.435 120.435 124.115 -3.680 25150 210 1 . 1 1 53 53 LYS HA H 53 4.686 4.686 5.032 -0.346 25150 211 1 . 1 1 53 53 LYS C C 53 175.285 175.285 175.636 -0.351 25150 212 1 . 1 1 53 53 LYS CA C 53 55.380 55.380 55.358 0.022 25150 213 1 . 1 1 53 53 LYS CB C 53 34.060 34.060 34.082 -0.022 25150 214 1 . 1 1 53 53 LYS H H 53 8.046 8.046 8.275 -0.229 25150 215 1 . 1 1 54 54 PHE N N 54 122.724 122.724 122.619 0.105 25150 216 1 . 1 1 54 54 PHE HA H 54 5.520 5.520 4.916 0.604 25150 217 1 . 1 1 54 54 PHE C C 54 175.151 175.151 174.345 0.806 25150 218 1 . 1 1 54 54 PHE CA C 54 54.690 54.690 56.777 -2.087 25150 219 1 . 1 1 54 54 PHE CB C 54 43.600 43.600 42.506 1.094 25150 220 1 . 1 1 54 54 PHE H H 54 9.082 9.082 8.916 0.166 25150 221 1 . 1 1 55 55 GLN N N 55 121.971 121.971 121.109 0.862 25150 222 1 . 1 1 55 55 GLN HA H 55 5.351 5.351 5.347 0.004 25150 223 1 . 1 1 55 55 GLN C C 55 173.802 173.802 174.530 -0.728 25150 224 1 . 1 1 55 55 GLN CA C 55 56.200 56.200 54.782 1.417 25150 225 1 . 1 1 55 55 GLN CB C 55 34.320 34.320 31.900 2.420 25150 226 1 . 1 1 55 55 GLN H H 55 10.001 10.001 8.860 1.141 25150 227 1 . 1 1 56 56 LEU N N 56 124.898 124.898 124.690 0.208 25150 228 1 . 1 1 56 56 LEU HA H 56 4.692 4.692 5.086 -0.394 25150 229 1 . 1 1 56 56 LEU C C 56 174.265 174.265 174.984 -0.719 25150 230 1 . 1 1 56 56 LEU CA C 56 53.420 53.420 53.495 -0.075 25150 231 1 . 1 1 56 56 LEU CB C 56 46.690 46.690 45.416 1.274 25150 232 1 . 1 1 56 56 LEU H H 56 9.573 9.573 9.109 0.464 25150 233 1 . 1 1 57 57 LEU N N 57 124.234 124.234 122.718 1.516 25150 234 1 . 1 1 57 57 LEU HA H 57 5.170 5.170 5.211 -0.041 25150 235 1 . 1 1 57 57 LEU C C 57 174.551 174.551 174.779 -0.228 25150 236 1 . 1 1 57 57 LEU CA C 57 53.670 53.670 53.319 0.351 25150 237 1 . 1 1 57 57 LEU CB C 57 45.520 45.520 44.848 0.672 25150 238 1 . 1 1 57 57 LEU H H 57 8.890 8.890 8.831 0.059 25150 239 1 . 1 1 58 58 PHE N N 58 124.003 124.003 126.361 -2.358 25150 240 1 . 1 1 58 58 PHE HA H 58 4.750 4.750 5.075 -0.325 25150 241 1 . 1 1 58 58 PHE C C 58 174.407 174.407 174.677 -0.270 25150 242 1 . 1 1 58 58 PHE CA C 58 56.000 56.000 55.938 0.062 25150 243 1 . 1 1 58 58 PHE CB C 58 42.940 42.940 40.812 2.128 25150 244 1 . 1 1 58 58 PHE H H 58 9.134 9.134 9.220 -0.086 25150 245 1 . 1 1 59 59 LYS N N 59 120.089 120.089 123.679 -3.590 25150 246 1 . 1 1 59 59 LYS HA H 59 4.883 4.883 4.865 0.018 25150 247 1 . 1 1 59 59 LYS C C 59 175.192 175.192 175.063 0.129 25150 248 1 . 1 1 59 59 LYS CA C 59 54.820 54.820 54.894 -0.074 25150 249 1 . 1 1 59 59 LYS CB C 59 35.530 35.530 34.525 1.005 25150 250 1 . 1 1 59 59 LYS H H 59 8.732 8.732 8.519 0.213 25150 251 1 . 1 1 60 60 PHE N N 60 123.988 123.988 124.647 -0.659 25150 252 1 . 1 1 60 60 PHE HA H 60 4.304 4.304 4.496 -0.192 25150 253 1 . 1 1 60 60 PHE C C 60 174.636 174.636 175.186 -0.550 25150 254 1 . 1 1 60 60 PHE CA C 60 57.250 57.250 57.076 0.174 25150 255 1 . 1 1 60 60 PHE CB C 60 41.160 41.160 40.572 0.588 25150 256 1 . 1 1 60 60 PHE H H 60 8.649 8.649 8.559 0.090 25150 257 1 . 1 1 61 61 SER N N 61 117.599 117.599 118.183 -0.584 25150 258 1 . 1 1 61 61 SER C C 61 174.771 174.771 175.180 -0.409 25150 259 1 . 1 1 61 61 SER CA C 61 57.130 57.130 57.181 -0.051 25150 260 1 . 1 1 61 61 SER CB C 61 66.030 66.030 64.840 1.190 25150 261 1 . 1 1 61 61 SER H H 61 8.066 8.066 8.477 -0.411 25150 262 1 . 1 1 62 62 SER N N 62 119.994 119.994 116.904 3.090 25150 263 1 . 1 1 62 62 SER CA C 62 61.650 61.650 60.141 1.509 25150 264 1 . 1 1 62 62 SER H H 62 8.265 8.265 8.758 -0.493 25150 265 1 . 1 1 63 63 ARG HA H 63 4.450 4.450 4.421 0.029 25150 266 1 . 1 1 63 63 ARG C C 63 175.086 175.086 176.533 -1.447 25150 267 1 . 1 1 63 63 ARG CA C 63 57.670 57.670 56.126 1.544 25150 268 1 . 1 1 63 63 ARG CB C 63 30.050 30.050 30.844 -0.794 25150 269 1 . 1 1 64 64 TYR N N 64 120.957 120.957 124.526 -3.569 25150 270 1 . 1 1 64 64 TYR CA C 64 59.680 59.680 58.253 1.427 25150 271 1 . 1 1 64 64 TYR CB C 64 38.720 38.720 39.543 -0.823 25150 272 1 . 1 1 64 64 TYR H H 64 7.471 7.471 8.010 -0.539 25150 273 1 . 1 1 65 65 PRO HA H 65 3.670 3.670 3.782 -0.113 25150 274 1 . 1 1 65 65 PRO C C 65 174.345 174.345 176.105 -1.760 25150 275 1 . 1 1 65 65 PRO CA C 65 63.460 63.460 62.802 0.658 25150 276 1 . 1 1 65 65 PRO CB C 65 33.370 33.370 31.031 2.340 25150 277 1 . 1 1 66 66 PHE N N 66 126.070 126.070 121.004 5.066 25150 278 1 . 1 1 66 66 PHE HA H 66 4.243 4.243 4.397 -0.154 25150 279 1 . 1 1 66 66 PHE C C 66 175.867 175.867 174.985 0.882 25150 280 1 . 1 1 66 66 PHE CA C 66 61.080 61.080 60.508 0.572 25150 281 1 . 1 1 66 66 PHE CB C 66 38.010 38.010 39.520 -1.511 25150 282 1 . 1 1 66 66 PHE H H 66 8.630 8.630 8.203 0.427 25150 283 1 . 1 1 67 67 ASP N N 67 118.021 118.021 117.931 0.090 25150 284 1 . 1 1 67 67 ASP HA H 67 3.959 3.959 4.685 -0.726 25150 285 1 . 1 1 67 67 ASP CA C 67 5.630 5.630 53.381 -47.751 25150 286 1 . 1 1 67 67 ASP CB C 67 34.840 34.840 42.617 -7.777 25150 287 1 . 1 1 67 67 ASP H H 67 7.126 7.126 8.113 -0.987 25150 288 1 . 1 1 68 68 SER N N 68 120.730 120.730 116.096 4.634 25150 289 1 . 1 1 68 68 SER CA C 68 55.750 55.750 55.394 0.356 25150 290 1 . 1 1 68 68 SER CB C 68 61.900 61.900 62.807 -0.907 25150 291 1 . 1 1 68 68 SER H H 68 8.091 8.091 8.034 0.057 25150 292 1 . 1 1 69 69 PRO HA H 69 4.356 4.356 4.314 0.042 25150 293 1 . 1 1 69 69 PRO CA C 69 62.080 62.080 62.273 -0.193 25150 294 1 . 1 1 69 69 PRO CB C 69 32.710 32.710 32.475 0.235 25150 295 1 . 1 1 70 70 GLN N N 70 119.493 119.493 120.390 -0.897 25150 296 1 . 1 1 70 70 GLN CA C 70 55.070 55.070 55.050 0.020 25150 297 1 . 1 1 70 70 GLN CB C 70 30.490 30.490 29.382 1.108 25150 298 1 . 1 1 70 70 GLN H H 70 8.049 8.049 8.148 -0.099 25150 299 1 . 1 1 71 71 VAL HA H 71 4.400 4.400 4.520 -0.120 25150 300 1 . 1 1 71 71 VAL CA C 71 59.810 59.810 60.472 -0.662 25150 301 1 . 1 1 71 71 VAL CB C 71 32.840 32.840 32.970 -0.130 25150 302 1 . 1 1 72 72 MET N N 72 120.767 120.767 122.244 -1.477 25150 303 1 . 1 1 72 72 MET HA H 72 4.731 4.731 4.949 -0.218 25150 304 1 . 1 1 72 72 MET C C 72 174.779 174.779 174.391 0.388 25150 305 1 . 1 1 72 72 MET CA C 72 54.390 54.390 53.950 0.440 25150 306 1 . 1 1 72 72 MET CB C 72 36.140 36.140 37.177 -1.037 25150 307 1 . 1 1 72 72 MET H H 72 8.245 8.245 8.237 0.008 25150 308 1 . 1 1 73 73 PHE N N 73 120.458 120.458 120.638 -0.180 25150 309 1 . 1 1 73 73 PHE HA H 73 5.214 5.214 5.146 0.068 25150 310 1 . 1 1 73 73 PHE C C 73 175.404 175.404 175.986 -0.582 25150 311 1 . 1 1 73 73 PHE CA C 73 59.580 59.580 58.400 1.180 25150 312 1 . 1 1 73 73 PHE CB C 73 40.620 40.620 40.289 0.331 25150 313 1 . 1 1 73 73 PHE H H 73 9.193 9.193 8.734 0.459 25150 314 1 . 1 1 74 74 THR N N 74 113.842 113.842 117.372 -3.530 25150 315 1 . 1 1 74 74 THR HA H 74 4.777 4.777 4.643 0.134 25150 316 1 . 1 1 74 74 THR C C 74 173.551 173.551 173.568 -0.017 25150 317 1 . 1 1 74 74 THR CA C 74 59.580 59.580 60.886 -1.306 25150 318 1 . 1 1 74 74 THR CB C 74 71.300 71.300 70.896 0.404 25150 319 1 . 1 1 74 74 THR H H 74 8.894 8.894 8.731 0.163 25150 320 1 . 1 1 75 75 GLY N N 75 109.259 109.259 112.252 -2.993 25150 321 1 . 1 1 75 75 GLY C C 75 173.980 173.980 173.781 0.199 25150 322 1 . 1 1 75 75 GLY CA C 75 44.710 44.710 44.976 -0.266 25150 323 1 . 1 1 75 75 GLY H H 75 8.058 8.058 8.029 0.029 25150 324 1 . 1 1 76 76 GLU N N 76 116.661 116.661 119.495 -2.834 25150 325 1 . 1 1 76 76 GLU HA H 76 4.141 4.141 4.251 -0.110 25150 326 1 . 1 1 76 76 GLU C C 76 176.624 176.624 176.134 0.490 25150 327 1 . 1 1 76 76 GLU CA C 76 58.040 58.040 56.953 1.087 25150 328 1 . 1 1 76 76 GLU CB C 76 30.910 30.910 29.964 0.946 25150 329 1 . 1 1 76 76 GLU H H 76 8.356 8.356 8.519 -0.163 25150 330 1 . 1 1 77 77 ASN N N 77 118.469 118.469 118.744 -0.275 25150 331 1 . 1 1 77 77 ASN HA H 77 5.110 5.110 4.815 0.295 25150 332 1 . 1 1 77 77 ASN C C 77 176.525 176.525 173.862 2.663 25150 333 1 . 1 1 77 77 ASN CA C 77 52.240 52.240 52.736 -0.496 25150 334 1 . 1 1 77 77 ASN CB C 77 39.710 39.710 38.703 1.008 25150 335 1 . 1 1 77 77 ASN H H 77 8.614 8.614 8.152 0.462 25150 336 1 . 1 1 78 78 ILE N N 78 117.605 117.605 124.496 -6.891 25150 337 1 . 1 1 78 78 ILE CA C 78 59.390 59.390 57.438 1.952 25150 338 1 . 1 1 78 78 ILE CB C 78 41.640 41.640 37.315 4.325 25150 339 1 . 1 1 78 78 ILE H H 78 7.736 7.736 8.121 -0.385 25150 340 1 . 1 1 79 79 PRO C C 79 176.134 176.134 175.877 0.257 25150 341 1 . 1 1 79 79 PRO CA C 79 62.830 62.830 62.202 0.628 25150 342 1 . 1 1 79 79 PRO CB C 79 31.160 31.160 32.170 -1.010 25150 343 1 . 1 1 80 80 VAL N N 80 123.378 123.378 121.459 1.919 25150 344 1 . 1 1 80 80 VAL CA C 80 62.830 62.830 62.453 0.377 25150 345 1 . 1 1 80 80 VAL CB C 80 29.920 29.920 32.189 -2.268 25150 346 1 . 1 1 80 80 VAL H H 80 8.297 8.297 8.449 -0.152 25150 347 1 . 1 1 82 82 PRO C C 82 176.169 176.169 176.583 -0.414 25150 348 1 . 1 1 82 82 PRO CA C 82 64.710 64.710 64.755 -0.045 25150 349 1 . 1 1 82 82 PRO CB C 82 31.670 31.670 31.754 -0.084 25150 350 1 . 1 1 83 83 HIS N N 83 121.199 121.199 113.690 7.509 25150 351 1 . 1 1 83 83 HIS HA H 83 4.841 4.841 4.808 0.033 25150 352 1 . 1 1 83 83 HIS C C 83 173.457 173.457 173.865 -0.408 25150 353 1 . 1 1 83 83 HIS CA C 83 54.680 54.680 55.660 -0.980 25150 354 1 . 1 1 83 83 HIS CB C 83 31.230 31.230 30.665 0.565 25150 355 1 . 1 1 83 83 HIS H H 83 10.996 10.996 8.770 2.226 25150 356 1 . 1 1 84 84 VAL N N 84 121.050 121.050 120.913 0.137 25150 357 1 . 1 1 84 84 VAL HA H 84 4.777 4.777 4.861 -0.084 25150 358 1 . 1 1 84 84 VAL C C 84 175.155 175.155 174.602 0.553 25150 359 1 . 1 1 84 84 VAL CA C 84 61.100 61.100 60.880 0.220 25150 360 1 . 1 1 84 84 VAL CB C 84 34.110 34.110 33.993 0.117 25150 361 1 . 1 1 84 84 VAL H H 84 8.058 8.058 7.623 0.435 25150 362 1 . 1 1 85 85 TYR N N 85 126.195 126.195 125.041 1.154 25150 363 1 . 1 1 85 85 TYR HA H 85 4.685 4.685 4.768 -0.083 25150 364 1 . 1 1 85 85 TYR C C 85 179.268 179.268 177.422 1.846 25150 365 1 . 1 1 85 85 TYR CA C 85 59.390 59.390 57.445 1.944 25150 366 1 . 1 1 85 85 TYR CB C 85 41.270 41.270 40.417 0.853 25150 367 1 . 1 1 85 85 TYR H H 85 9.136 9.136 9.076 0.060 25150 368 1 . 1 1 86 86 SER N N 86 115.546 115.546 117.280 -1.734 25150 369 1 . 1 1 86 86 SER HA H 86 3.935 3.935 4.211 -0.276 25150 370 1 . 1 1 86 86 SER C C 86 174.309 174.309 174.727 -0.418 25150 371 1 . 1 1 86 86 SER CA C 86 61.890 61.890 60.549 1.341 25150 372 1 . 1 1 86 86 SER CB C 86 62.230 62.230 63.143 -0.913 25150 373 1 . 1 1 86 86 SER H H 86 10.052 10.052 8.856 1.196 25150 374 1 . 1 1 87 87 ASN N N 87 116.470 116.470 116.627 -0.157 25150 375 1 . 1 1 87 87 ASN C C 87 175.624 175.624 175.968 -0.344 25150 376 1 . 1 1 87 87 ASN CA C 87 52.340 52.340 52.590 -0.250 25150 377 1 . 1 1 87 87 ASN CB C 87 37.490 37.490 37.936 -0.446 25150 378 1 . 1 1 87 87 ASN H H 87 7.331 7.331 8.073 -0.742 25150 379 1 . 1 1 88 88 GLY N N 88 108.412 108.412 107.777 0.635 25150 380 1 . 1 1 88 88 GLY C C 88 174.247 174.247 174.067 0.180 25150 381 1 . 1 1 88 88 GLY CA C 88 45.910 45.910 45.240 0.670 25150 382 1 . 1 1 88 88 GLY H H 88 8.737 8.737 8.303 0.434 25150 383 1 . 1 1 89 89 HIS N N 89 119.508 119.508 122.440 -2.932 25150 384 1 . 1 1 89 89 HIS CA C 89 56.300 56.300 57.438 -1.138 25150 385 1 . 1 1 89 89 HIS CB C 89 31.860 31.860 30.509 1.351 25150 386 1 . 1 1 89 89 HIS H H 89 7.494 7.494 8.636 -1.142 25150 387 1 . 1 1 90 90 ILE HA H 90 4.414 4.414 4.586 -0.172 25150 388 1 . 1 1 90 90 ILE C C 90 174.510 174.510 175.661 -1.151 25150 389 1 . 1 1 90 90 ILE CA C 90 58.320 58.320 60.004 -1.683 25150 390 1 . 1 1 90 90 ILE CB C 90 39.280 39.280 38.867 0.413 25150 391 1 . 1 1 91 91 CYS N N 91 123.587 123.587 128.832 -5.245 25150 392 1 . 1 1 91 91 CYS CA C 91 63.580 63.580 58.183 5.397 25150 393 1 . 1 1 91 91 CYS CB C 91 33.390 33.390 26.154 7.236 25150 394 1 . 1 1 91 91 CYS H H 91 7.304 7.304 8.875 -1.571 25150 395 1 . 1 1 92 92 LEU HA H 92 4.670 4.670 4.707 -0.037 25150 396 1 . 1 1 92 92 LEU C C 92 175.822 175.822 177.397 -1.575 25150 397 1 . 1 1 92 92 LEU CA C 92 59.460 59.460 53.549 5.911 25150 398 1 . 1 1 92 92 LEU CB C 92 41.420 41.420 45.120 -3.700 25150 399 1 . 1 1 93 93 SER N N 93 111.707 111.707 121.395 -9.688 25150 400 1 . 1 1 93 93 SER HA H 93 4.331 4.331 4.297 0.034 25150 401 1 . 1 1 93 93 SER C C 93 177.433 177.433 176.211 1.222 25150 402 1 . 1 1 93 93 SER CA C 93 62.150 62.150 60.849 1.301 25150 403 1 . 1 1 93 93 SER H H 93 9.037 9.037 8.867 0.170 25150 404 1 . 1 1 94 94 ILE N N 94 118.993 118.993 117.185 1.808 25150 405 1 . 1 1 94 94 ILE HA H 94 173.538 173.538 4.006 169.532 25150 406 1 . 1 1 94 94 ILE CA C 94 64.310 64.310 63.191 1.119 25150 407 1 . 1 1 94 94 ILE CB C 94 37.900 37.900 37.389 0.511 25150 408 1 . 1 1 94 94 ILE H H 94 7.859 7.859 8.005 -0.146 25150 409 1 . 1 1 95 95 LEU N N 95 113.763 113.763 118.038 -4.275 25150 410 1 . 1 1 95 95 LEU HA H 95 4.652 4.652 4.448 0.204 25150 411 1 . 1 1 95 95 LEU C C 95 178.458 178.458 177.423 1.035 25150 412 1 . 1 1 95 95 LEU CA C 95 55.330 55.330 55.628 -0.298 25150 413 1 . 1 1 95 95 LEU CB C 95 42.080 42.080 41.967 0.113 25150 414 1 . 1 1 95 95 LEU H H 95 7.351 7.351 7.838 -0.487 25150 415 1 . 1 1 96 96 THR N N 96 109.929 109.929 111.811 -1.882 25150 416 1 . 1 1 96 96 THR HA H 96 4.338 4.338 4.509 -0.171 25150 417 1 . 1 1 96 96 THR C C 96 175.947 175.947 176.173 -0.226 25150 418 1 . 1 1 96 96 THR CA C 96 60.960 60.960 62.606 -1.645 25150 419 1 . 1 1 96 96 THR CB C 96 69.280 69.280 69.448 -0.168 25150 420 1 . 1 1 96 96 THR H H 96 7.794 7.794 7.867 -0.073 25150 421 1 . 1 1 97 97 GLU N N 97 123.314 123.314 120.789 2.525 25150 422 1 . 1 1 97 97 GLU HA H 97 4.317 4.317 4.179 0.139 25150 423 1 . 1 1 97 97 GLU C C 97 176.907 176.907 177.096 -0.188 25150 424 1 . 1 1 97 97 GLU CA C 97 58.680 58.680 58.848 -0.168 25150 425 1 . 1 1 97 97 GLU CB C 97 30.790 30.790 29.660 1.129 25150 426 1 . 1 1 97 97 GLU H H 97 8.913 8.913 8.518 0.395 25150 427 1 . 1 1 98 98 ASP N N 98 116.420 116.420 117.242 -0.822 25150 428 1 . 1 1 98 98 ASP CA C 98 54.190 54.190 54.054 0.136 25150 429 1 . 1 1 98 98 ASP CB C 98 41.500 41.500 41.069 0.431 25150 430 1 . 1 1 98 98 ASP H H 98 8.124 8.124 8.045 0.079 25150 431 1 . 1 1 99 99 TRP HA H 99 4.420 4.420 4.560 -0.140 25150 432 1 . 1 1 99 99 TRP C C 99 176.495 176.495 175.191 1.304 25150 433 1 . 1 1 99 99 TRP CA C 99 59.430 59.430 59.014 0.416 25150 434 1 . 1 1 99 99 TRP CB C 99 29.580 29.580 30.179 -0.599 25150 435 1 . 1 1 100 100 SER N N 100 120.993 120.993 120.503 0.490 25150 436 1 . 1 1 100 100 SER CA C 100 55.370 55.370 54.260 1.110 25150 437 1 . 1 1 100 100 SER CB C 100 64.860 64.860 64.420 0.440 25150 438 1 . 1 1 100 100 SER H H 100 5.703 5.703 7.087 -1.384 25150 439 1 . 1 1 101 101 PRO HA H 101 4.193 4.193 4.111 0.082 25150 440 1 . 1 1 101 101 PRO C C 101 175.227 175.227 176.495 -1.268 25150 441 1 . 1 1 101 101 PRO CA C 101 63.700 63.700 64.362 -0.662 25150 442 1 . 1 1 101 101 PRO CB C 101 31.420 31.420 31.645 -0.225 25150 443 1 . 1 1 102 102 ALA N N 102 118.668 118.668 118.975 -0.307 25150 444 1 . 1 1 102 102 ALA HA H 102 4.094 4.094 4.154 -0.060 25150 445 1 . 1 1 102 102 ALA C C 102 178.797 178.797 177.763 1.034 25150 446 1 . 1 1 102 102 ALA CA C 102 52.830 52.830 52.415 0.415 25150 447 1 . 1 1 102 102 ALA CB C 102 19.010 19.010 18.940 0.070 25150 448 1 . 1 1 102 102 ALA H H 102 7.290 7.290 7.305 -0.015 25150 449 1 . 1 1 103 103 LEU N N 103 119.365 119.365 119.276 0.089 25150 450 1 . 1 1 103 103 LEU CA C 103 54.210 54.210 54.265 -0.055 25150 451 1 . 1 1 103 103 LEU CB C 103 41.710 41.710 42.678 -0.968 25150 452 1 . 1 1 103 103 LEU H H 103 7.263 7.263 7.172 0.091 25150 453 1 . 1 1 104 104 SER HA H 104 4.381 4.381 5.021 -0.640 25150 454 1 . 1 1 104 104 SER C C 104 175.278 175.278 175.737 -0.459 25150 455 1 . 1 1 104 104 SER CA C 104 56.500 56.500 56.494 0.006 25150 456 1 . 1 1 104 104 SER CB C 104 66.770 66.770 66.097 0.673 25150 457 1 . 1 1 105 105 VAL N N 105 123.025 123.025 122.495 0.530 25150 458 1 . 1 1 105 105 VAL HA H 105 3.612 3.612 3.758 -0.146 25150 459 1 . 1 1 105 105 VAL C C 105 179.053 179.053 177.312 1.741 25150 460 1 . 1 1 105 105 VAL CA C 105 68.070 68.070 66.642 1.428 25150 461 1 . 1 1 105 105 VAL CB C 105 31.620 31.620 31.611 0.009 25150 462 1 . 1 1 105 105 VAL H H 105 9.841 9.841 9.263 0.578 25150 463 1 . 1 1 106 106 GLN N N 106 121.218 121.218 119.591 1.627 25150 464 1 . 1 1 106 106 GLN HA H 106 3.855 3.855 3.975 -0.120 25150 465 1 . 1 1 106 106 GLN C C 106 177.698 177.698 178.196 -0.498 25150 466 1 . 1 1 106 106 GLN CA C 106 61.130 61.130 59.393 1.737 25150 467 1 . 1 1 106 106 GLN CB C 106 28.230 28.230 28.395 -0.165 25150 468 1 . 1 1 106 106 GLN H H 106 9.109 9.109 8.474 0.635 25150 469 1 . 1 1 107 107 SER N N 107 115.531 115.531 116.187 -0.656 25150 470 1 . 1 1 107 107 SER C C 107 177.828 177.828 176.765 1.064 25150 471 1 . 1 1 107 107 SER CA C 107 62.500 62.500 62.124 0.376 25150 472 1 . 1 1 107 107 SER CB C 107 62.670 62.670 62.804 -0.134 25150 473 1 . 1 1 107 107 SER H H 107 8.209 8.209 8.112 0.097 25150 474 1 . 1 1 108 108 VAL N N 108 123.756 123.756 122.596 1.160 25150 475 1 . 1 1 108 108 VAL HA H 108 3.661 3.661 3.771 -0.110 25150 476 1 . 1 1 108 108 VAL C C 108 178.087 178.087 177.958 0.129 25150 477 1 . 1 1 108 108 VAL CA C 108 66.970 66.970 66.783 0.187 25150 478 1 . 1 1 108 108 VAL CB C 108 31.710 31.710 31.818 -0.108 25150 479 1 . 1 1 108 108 VAL H H 108 8.256 8.256 7.986 0.270 25150 480 1 . 1 1 109 109 CYS N N 109 118.175 118.175 118.245 -0.070 25150 481 1 . 1 1 109 109 CYS HA H 109 3.935 3.935 4.208 -0.274 25150 482 1 . 1 1 109 109 CYS C C 109 176.918 176.918 176.940 -0.022 25150 483 1 . 1 1 109 109 CYS CA C 109 65.890 65.890 64.610 1.280 25150 484 1 . 1 1 109 109 CYS CB C 109 27.800 27.800 26.928 0.872 25150 485 1 . 1 1 109 109 CYS H H 109 8.781 8.781 8.392 0.389 25150 486 1 . 1 1 110 110 LEU N N 110 118.491 118.491 121.080 -2.589 25150 487 1 . 1 1 110 110 LEU HA H 110 4.110 4.110 4.004 0.106 25150 488 1 . 1 1 110 110 LEU C C 110 180.150 180.150 178.822 1.328 25150 489 1 . 1 1 110 110 LEU CA C 110 58.480 58.480 58.116 0.364 25150 490 1 . 1 1 110 110 LEU CB C 110 41.010 41.010 41.506 -0.496 25150 491 1 . 1 1 110 110 LEU H H 110 8.543 8.543 8.615 -0.072 25150 492 1 . 1 1 111 111 SER N N 111 117.917 117.917 116.103 1.814 25150 493 1 . 1 1 111 111 SER C C 111 177.009 177.009 176.825 0.184 25150 494 1 . 1 1 111 111 SER CA C 111 63.050 63.050 62.591 0.459 25150 495 1 . 1 1 111 111 SER CB C 111 62.980 62.980 62.840 0.140 25150 496 1 . 1 1 111 111 SER H H 111 8.181 8.181 8.119 0.062 25150 497 1 . 1 1 112 112 ILE N N 112 124.764 124.764 123.071 1.693 25150 498 1 . 1 1 112 112 ILE HA H 112 3.673 3.673 3.634 0.039 25150 499 1 . 1 1 112 112 ILE C C 112 177.441 177.441 177.729 -0.288 25150 500 1 . 1 1 112 112 ILE CA C 112 65.430 65.430 65.578 -0.148 25150 501 1 . 1 1 112 112 ILE CB C 112 37.950 37.950 37.828 0.122 25150 502 1 . 1 1 112 112 ILE H H 112 8.249 8.249 8.045 0.204 25150 503 1 . 1 1 113 113 ILE N N 113 121.123 121.123 120.602 0.521 25150 504 1 . 1 1 113 113 ILE HA H 113 3.596 3.596 3.553 0.043 25150 505 1 . 1 1 113 113 ILE C C 113 179.525 179.525 178.165 1.360 25150 506 1 . 1 1 113 113 ILE CA C 113 66.260 66.260 65.541 0.719 25150 507 1 . 1 1 113 113 ILE CB C 113 38.780 38.780 37.707 1.073 25150 508 1 . 1 1 113 113 ILE H H 113 8.415 8.415 8.277 0.138 25150 509 1 . 1 1 114 114 SER N N 114 115.247 115.247 115.907 -0.660 25150 510 1 . 1 1 114 114 SER HA H 114 4.300 4.300 4.196 0.104 25150 511 1 . 1 1 114 114 SER C C 114 176.915 176.915 176.672 0.243 25150 512 1 . 1 1 114 114 SER CA C 114 61.510 61.510 61.772 -0.262 25150 513 1 . 1 1 114 114 SER CB C 114 62.990 62.990 63.058 -0.068 25150 514 1 . 1 1 114 114 SER H H 114 8.241 8.241 8.239 0.002 25150 515 1 . 1 1 115 115 MET N N 115 122.921 122.921 123.132 -0.211 25150 516 1 . 1 1 115 115 MET C C 115 179.552 179.552 178.446 1.106 25150 517 1 . 1 1 115 115 MET CA C 115 59.030 59.030 59.047 -0.017 25150 518 1 . 1 1 115 115 MET CB C 115 33.040 33.040 32.475 0.565 25150 519 1 . 1 1 115 115 MET H H 115 8.216 8.216 8.104 0.112 25150 520 1 . 1 1 116 116 LEU N N 116 120.553 120.553 118.355 2.198 25150 521 1 . 1 1 116 116 LEU HA H 116 4.077 4.077 3.934 0.143 25150 522 1 . 1 1 116 116 LEU C C 116 179.264 179.264 179.114 0.150 25150 523 1 . 1 1 116 116 LEU CA C 116 58.770 58.770 57.224 1.546 25150 524 1 . 1 1 116 116 LEU CB C 116 40.630 40.630 41.574 -0.944 25150 525 1 . 1 1 116 116 LEU H H 116 7.981 7.981 8.086 -0.105 25150 526 1 . 1 1 117 117 SER N N 117 114.100 114.100 112.762 1.338 25150 527 1 . 1 1 117 117 SER HA H 117 4.342 4.342 4.433 -0.091 25150 528 1 . 1 1 117 117 SER C C 117 175.042 175.042 175.648 -0.606 25150 529 1 . 1 1 117 117 SER CA C 117 61.700 61.700 60.522 1.178 25150 530 1 . 1 1 117 117 SER CB C 117 63.120 63.120 63.952 -0.832 25150 531 1 . 1 1 117 117 SER H H 117 8.467 8.467 8.170 0.297 25150 532 1 . 1 1 118 118 SER N N 118 113.628 113.628 116.845 -3.217 25150 533 1 . 1 1 118 118 SER HA H 118 4.485 4.485 4.568 -0.083 25150 534 1 . 1 1 118 118 SER C C 118 174.142 174.142 174.560 -0.418 25150 535 1 . 1 1 118 118 SER CA C 118 59.000 59.000 58.072 0.928 25150 536 1 . 1 1 118 118 SER CB C 118 64.040 64.040 63.547 0.494 25150 537 1 . 1 1 118 118 SER H H 118 8.037 8.037 8.090 -0.053 25150 538 1 . 1 1 119 119 CYS N N 119 122.293 122.293 124.142 -1.849 25150 539 1 . 1 1 119 119 CYS CA C 119 59.190 59.190 59.780 -0.590 25150 540 1 . 1 1 119 119 CYS CB C 119 28.270 28.270 28.092 0.178 25150 541 1 . 1 1 119 119 CYS H H 119 7.250 7.250 8.147 -0.897 25150 542 1 . 1 1 120 120 LYS HA H 120 4.540 4.540 4.352 0.188 25150 543 1 . 1 1 120 120 LYS C C 120 176.345 176.345 175.855 0.489 25150 544 1 . 1 1 120 120 LYS CA C 120 65.050 65.050 56.332 8.718 25150 545 1 . 1 1 120 120 LYS CB C 120 33.550 33.550 33.208 0.342 25150 546 1 . 1 1 121 121 GLU N N 121 120.936 120.936 121.249 -0.313 25150 547 1 . 1 1 121 121 GLU HA H 121 4.229 4.229 4.383 -0.154 25150 548 1 . 1 1 121 121 GLU C C 121 174.053 174.053 175.857 -1.804 25150 549 1 . 1 1 121 121 GLU CA C 121 56.190 56.190 56.068 0.122 25150 550 1 . 1 1 121 121 GLU CB C 121 32.690 32.690 30.851 1.839 25150 551 1 . 1 1 121 121 GLU H H 121 7.700 7.700 8.214 -0.514 25150 552 1 . 1 1 122 122 LYS N N 122 127.472 127.472 122.771 4.701 25150 553 1 . 1 1 122 122 LYS HA H 122 3.862 3.862 4.264 -0.402 25150 554 1 . 1 1 122 122 LYS C C 122 174.440 174.440 176.339 -1.899 25150 555 1 . 1 1 122 122 LYS CA C 122 58.280 58.280 56.689 1.591 25150 556 1 . 1 1 122 122 LYS CB C 122 32.410 32.410 32.800 -0.390 25150 557 1 . 1 1 122 122 LYS H H 122 8.890 8.890 8.513 0.378 25150 558 1 . 1 1 123 123 ARG N N 123 123.268 123.268 121.219 2.049 25150 559 1 . 1 1 123 123 ARG HA H 123 4.270 4.270 4.448 -0.178 25150 560 1 . 1 1 123 123 ARG C C 123 172.653 172.653 175.468 -2.815 25150 561 1 . 1 1 123 123 ARG CA C 123 54.580 54.580 55.283 -0.702 25150 562 1 . 1 1 123 123 ARG CB C 123 32.230 32.230 31.445 0.785 25150 563 1 . 1 1 123 123 ARG H H 123 6.841 6.841 8.199 -1.358 25150 564 1 . 1 1 124 124 ARG N N 124 116.787 116.787 123.403 -6.616 25150 565 1 . 1 1 124 124 ARG CA C 124 54.710 54.710 54.395 0.315 25150 566 1 . 1 1 124 124 ARG CB C 124 29.080 29.080 29.963 -0.883 25150 567 1 . 1 1 124 124 ARG H H 124 8.044 8.044 8.392 -0.348 25150 568 1 . 1 1 126 126 PRO CA C 126 64.800 64.800 64.398 0.403 25150 569 1 . 1 1 126 126 PRO CB C 126 31.780 31.780 31.974 -0.194 25150 570 1 . 1 1 127 127 ASP N N 127 115.165 115.165 117.791 -2.626 25150 571 1 . 1 1 127 127 ASP HA H 127 5.124 5.124 4.694 0.430 25150 572 1 . 1 1 127 127 ASP C C 127 172.871 172.871 176.485 -3.614 25150 573 1 . 1 1 127 127 ASP CA C 127 52.670 52.670 53.640 -0.970 25150 574 1 . 1 1 127 127 ASP CB C 127 39.140 39.140 40.428 -1.288 25150 575 1 . 1 1 127 127 ASP H H 127 8.711 8.711 8.238 0.473 25150 576 1 . 1 1 128 128 ASN N N 128 127.858 127.858 121.344 6.514 25150 577 1 . 1 1 128 128 ASN CA C 128 56.480 56.480 55.342 1.138 25150 578 1 . 1 1 128 128 ASN CB C 128 38.560 38.560 38.876 -0.316 25150 579 1 . 1 1 128 128 ASN H H 128 8.502 8.502 8.524 -0.022 25150 580 1 . 1 1 129 129 SER C C 129 176.346 176.346 176.311 0.034 25150 581 1 . 1 1 129 129 SER CA C 129 62.330 62.330 61.336 0.994 25150 582 1 . 1 1 130 130 PHE N N 130 121.897 121.897 124.200 -2.303 25150 583 1 . 1 1 130 130 PHE HA H 130 4.120 4.120 4.175 -0.055 25150 584 1 . 1 1 130 130 PHE C C 130 177.740 177.740 176.926 0.814 25150 585 1 . 1 1 130 130 PHE CA C 130 60.960 60.960 61.497 -0.537 25150 586 1 . 1 1 130 130 PHE CB C 130 39.760 39.760 38.977 0.783 25150 587 1 . 1 1 130 130 PHE H H 130 8.022 8.022 8.258 -0.236 25150 588 1 . 1 1 131 131 TYR N N 131 122.173 122.173 119.486 2.687 25150 589 1 . 1 1 131 131 TYR HA H 131 3.746 3.746 4.100 -0.354 25150 590 1 . 1 1 131 131 TYR C C 131 178.140 178.140 177.587 0.553 25150 591 1 . 1 1 131 131 TYR CA C 131 62.290 62.290 61.342 0.948 25150 592 1 . 1 1 131 131 TYR CB C 131 39.540 39.540 38.306 1.234 25150 593 1 . 1 1 131 131 TYR H H 131 8.871 8.871 8.133 0.738 25150 594 1 . 1 1 132 132 VAL N N 132 116.993 116.993 117.894 -0.901 25150 595 1 . 1 1 132 132 VAL C C 132 178.082 178.082 178.218 -0.136 25150 596 1 . 1 1 132 132 VAL CA C 132 66.330 66.330 66.062 0.268 25150 597 1 . 1 1 132 132 VAL CB C 132 31.450 31.450 31.618 -0.168 25150 598 1 . 1 1 132 132 VAL H H 132 8.551 8.551 8.044 0.507 25150 599 1 . 1 1 133 133 ARG N N 133 118.860 118.860 118.569 0.291 25150 600 1 . 1 1 133 133 ARG CA C 133 58.980 58.980 58.969 0.011 25150 601 1 . 1 1 133 133 ARG CB C 133 30.250 30.250 30.372 -0.122 25150 602 1 . 1 1 133 133 ARG H H 133 7.545 7.545 8.128 -0.583 25150 603 1 . 1 1 134 134 THR CA C 134 62.280 62.280 62.509 -0.229 25150 604 1 . 1 1 134 134 THR CB C 134 69.790 69.790 68.582 1.208 25150 605 1 . 1 1 135 135 CYS N N 135 125.959 125.959 121.212 4.747 25150 606 1 . 1 1 135 135 CYS CA C 135 59.760 59.760 60.129 -0.369 25150 607 1 . 1 1 135 135 CYS CB C 135 39.010 39.010 27.552 11.458 25150 608 1 . 1 1 135 135 CYS H H 135 7.881 7.881 7.731 0.150 25150 609 1 . 1 1 136 136 ASN HA H 136 4.010 4.010 4.651 -0.641 25150 610 1 . 1 1 136 136 ASN C C 136 177.768 177.768 175.589 2.179 25150 611 1 . 1 1 136 136 ASN CA C 136 54.160 54.160 54.108 0.052 25150 612 1 . 1 1 136 136 ASN CB C 136 38.470 38.470 38.564 -0.095 25150 613 1 . 1 1 137 137 LYS N N 137 119.224 119.224 119.167 0.057 25150 614 1 . 1 1 137 137 LYS HA H 137 4.196 4.196 4.351 -0.155 25150 615 1 . 1 1 137 137 LYS C C 137 176.185 176.185 175.954 0.231 25150 616 1 . 1 1 137 137 LYS CA C 137 56.980 56.980 56.090 0.890 25150 617 1 . 1 1 137 137 LYS CB C 137 32.870 32.870 32.888 -0.018 25150 618 1 . 1 1 137 137 LYS H H 137 7.678 7.678 7.924 -0.246 25150 619 1 . 1 1 138 138 ASN N N 138 117.174 117.174 120.356 -3.182 25150 620 1 . 1 1 138 138 ASN CA C 138 51.530 51.530 51.308 0.222 25150 621 1 . 1 1 138 138 ASN CB C 138 38.940 38.940 38.693 0.247 25150 622 1 . 1 1 138 138 ASN H H 138 7.969 7.969 7.984 -0.015 25150 623 1 . 1 1 139 139 PRO HA H 139 4.398 4.398 4.451 -0.053 25150 624 1 . 1 1 139 139 PRO C C 139 177.335 177.335 176.746 0.589 25150 625 1 . 1 1 139 139 PRO CA C 139 63.850 63.850 63.337 0.513 25150 626 1 . 1 1 139 139 PRO CB C 139 32.110 32.110 32.408 -0.298 25150 627 1 . 1 1 140 140 LYS N N 140 118.218 118.218 120.255 -2.037 25150 628 1 . 1 1 140 140 LYS HA H 140 32.650 32.650 4.137 28.513 25150 629 1 . 1 1 140 140 LYS C C 140 176.564 176.564 176.901 -0.337 25150 630 1 . 1 1 140 140 LYS CA C 140 56.990 56.990 56.887 0.103 25150 631 1 . 1 1 140 140 LYS H H 140 8.108 8.108 8.437 -0.329 25150 632 1 . 1 1 141 141 LYS N N 141 119.276 119.276 121.357 -2.081 25150 633 1 . 1 1 141 141 LYS C C 141 177.924 177.924 176.273 1.651 25150 634 1 . 1 1 141 141 LYS CA C 141 56.100 56.100 56.354 -0.255 25150 635 1 . 1 1 141 141 LYS CB C 141 29.780 29.780 32.679 -2.899 25150 636 1 . 1 1 141 141 LYS H H 141 8.135 8.135 8.085 0.050 25150 637 1 . 1 1 142 142 THR N N 142 115.380 115.380 116.397 -1.017 25150 638 1 . 1 1 142 142 THR CA C 142 61.850 61.850 62.448 -0.598 25150 639 1 . 1 1 142 142 THR CB C 142 69.660 69.660 69.139 0.521 25150 640 1 . 1 1 142 142 THR H H 142 8.030 8.030 7.942 0.088 25150 641 1 . 1 1 143 143 LYS C C 143 178.955 178.955 175.977 2.978 25150 642 1 . 1 1 144 144 TRP N N 144 120.470 120.470 120.916 -0.446 25150 643 1 . 1 1 144 144 TRP C C 144 176.557 176.557 175.416 1.141 25150 644 1 . 1 1 144 144 TRP CA C 144 57.870 57.870 56.564 1.306 25150 645 1 . 1 1 144 144 TRP CB C 144 33.000 33.000 29.900 3.100 25150 646 1 . 1 1 144 144 TRP H H 144 8.094 8.094 7.743 0.351 25150 647 1 . 1 1 145 145 TRP N N 145 120.330 120.330 124.104 -3.774 25150 648 1 . 1 1 145 145 TRP CA C 145 57.120 57.120 56.310 0.810 25150 649 1 . 1 1 145 145 TRP CB C 145 32.850 32.850 30.093 2.757 25150 650 1 . 1 1 145 145 TRP H H 145 8.488 8.488 7.879 0.609 25150 651 1 . 1 1 146 146 TYR C C 146 174.706 174.706 174.884 -0.178 25150 652 1 . 1 1 146 146 TYR CA C 146 57.430 57.430 57.487 -0.057 25150 653 1 . 1 1 146 146 TYR CB C 146 38.740 38.740 38.563 0.177 25150 654 1 . 1 1 147 147 HIS N N 147 121.604 121.604 122.896 -1.292 25150 655 1 . 1 1 147 147 HIS HA H 147 4.186 4.186 4.351 -0.165 25150 656 1 . 1 1 147 147 HIS C C 147 176.874 176.874 174.604 2.270 25150 657 1 . 1 1 147 147 HIS CA C 147 56.240 56.240 55.761 0.479 25150 658 1 . 1 1 147 147 HIS CB C 147 31.200 31.200 30.801 0.399 25150 659 1 . 1 1 147 147 HIS H H 147 7.886 7.886 7.762 0.124 25150 660 1 . 1 1 148 148 ASP N N 148 122.629 122.629 123.275 -0.645 25150 661 1 . 1 1 148 148 ASP HA H 148 4.544 4.544 4.537 0.007 25150 662 1 . 1 1 148 148 ASP C C 148 175.661 175.661 176.131 -0.470 25150 663 1 . 1 1 148 148 ASP CA C 148 54.180 54.180 54.189 -0.009 25150 664 1 . 1 1 148 148 ASP CB C 148 41.680 41.680 40.941 0.738 25150 665 1 . 1 1 148 148 ASP H H 148 8.109 8.109 8.344 -0.235 25150 666 1 . 1 1 149 149 ASP N N 149 121.321 121.321 122.049 -0.728 25150 667 1 . 1 1 149 149 ASP HA H 149 4.654 4.654 4.613 0.041 25150 668 1 . 1 1 149 149 ASP C C 149 176.551 176.551 176.758 -0.207 25150 669 1 . 1 1 149 149 ASP CA C 149 54.610 54.610 54.953 -0.344 25150 670 1 . 1 1 149 149 ASP CB C 149 41.360 41.360 40.734 0.626 25150 671 1 . 1 1 149 149 ASP H H 149 8.395 8.395 8.405 -0.010 25150 672 1 . 1 1 150 150 THR N N 150 113.450 113.450 114.308 -0.858 25150 673 1 . 1 1 150 150 THR HA H 150 4.296 4.296 4.364 -0.068 25150 674 1 . 1 1 150 150 THR C C 150 173.994 173.994 174.757 -0.763 25150 675 1 . 1 1 150 150 THR CA C 150 62.310 62.310 62.417 -0.107 25150 676 1 . 1 1 150 150 THR CB C 150 69.870 69.870 69.201 0.669 25150 677 1 . 1 1 150 150 THR H H 150 8.259 8.259 8.284 -0.025 25150 stop_ save_