data_25887 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25887 _Entry.PDB_ID 2N99 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 25887 _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 1 101 101 ILE N N 101 123.543 123.543 116.301 7.242 25887 2 1 1 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.913 -0.305 25887 3 1 1 . 1 1 101 101 ILE C C 101 172.659 172.659 173.638 -0.979 25887 4 1 1 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.093 0.561 25887 5 1 1 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.363 -0.062 25887 6 1 1 . 1 1 101 101 ILE H H 101 8.681 8.681 8.282 0.399 25887 7 1 1 . 1 1 102 102 TRP N N 102 123.817 123.817 120.979 2.838 25887 8 1 1 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.153 -0.055 25887 9 1 1 . 1 1 102 102 TRP C C 102 175.757 175.757 175.858 -0.101 25887 10 1 1 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.281 -0.502 25887 11 1 1 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.115 0.091 25887 12 1 1 . 1 1 102 102 TRP H H 102 8.008 8.008 8.505 -0.497 25887 13 1 1 . 1 1 103 103 CYS N N 103 116.424 116.424 119.630 -3.206 25887 14 1 1 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.777 0.318 25887 15 1 1 . 1 1 103 103 CYS C C 103 175.070 175.070 172.990 2.080 25887 16 1 1 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.484 -5.473 25887 17 1 1 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.633 10.311 25887 18 1 1 . 1 1 103 103 CYS H H 103 8.481 8.481 8.882 -0.401 25887 19 1 1 . 1 1 104 104 HIS N N 104 123.159 123.159 118.823 4.336 25887 20 1 1 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.204 -0.608 25887 21 1 1 . 1 1 104 104 HIS C C 104 176.075 176.075 175.331 0.744 25887 22 1 1 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.516 3.217 25887 23 1 1 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.786 1.198 25887 24 1 1 . 1 1 104 104 HIS H H 104 9.364 9.364 8.580 0.784 25887 25 1 1 . 1 1 105 105 GLN N N 105 123.570 123.570 123.713 -0.143 25887 26 1 1 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.758 0.220 25887 27 1 1 . 1 1 105 105 GLN C C 105 173.623 173.623 175.200 -1.577 25887 28 1 1 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.196 -0.827 25887 29 1 1 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.502 1.280 25887 30 1 1 . 1 1 105 105 GLN H H 105 8.108 8.108 8.076 0.032 25887 31 1 1 . 1 1 106 106 CYS N N 106 118.604 118.604 119.135 -0.531 25887 32 1 1 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.656 0.295 25887 33 1 1 . 1 1 106 106 CYS C C 106 171.120 171.120 176.251 -5.131 25887 34 1 1 . 1 1 106 106 CYS CA C 106 53.907 53.907 59.102 -5.195 25887 35 1 1 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.238 11.401 25887 36 1 1 . 1 1 106 106 CYS H H 106 8.458 8.458 8.251 0.207 25887 37 1 1 . 1 1 107 107 THR N N 107 113.541 113.541 116.805 -3.264 25887 38 1 1 . 1 1 107 107 THR HA H 107 5.500 5.500 4.134 1.366 25887 39 1 1 . 1 1 107 107 THR C C 107 173.592 173.592 175.223 -1.631 25887 40 1 1 . 1 1 107 107 THR CA C 107 60.161 60.161 65.503 -5.342 25887 41 1 1 . 1 1 107 107 THR CB C 107 71.879 71.879 69.259 2.620 25887 42 1 1 . 1 1 107 107 THR H H 107 8.400 8.400 8.876 -0.476 25887 43 1 1 . 1 1 108 108 GLY N N 108 110.549 110.549 106.742 3.807 25887 44 1 1 . 1 1 108 108 GLY C C 108 171.694 171.694 172.951 -1.257 25887 45 1 1 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.847 0.601 25887 46 1 1 . 1 1 108 108 GLY H H 108 8.817 8.817 7.427 1.390 25887 47 1 1 . 1 1 109 109 PHE N N 109 120.830 120.830 120.003 0.827 25887 48 1 1 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.130 0.994 25887 49 1 1 . 1 1 109 109 PHE C C 109 177.225 177.225 175.814 1.411 25887 50 1 1 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.607 -0.169 25887 51 1 1 . 1 1 109 109 PHE CB C 109 38.408 38.408 36.727 1.681 25887 52 1 1 . 1 1 109 109 PHE H H 109 8.924 8.924 8.434 0.490 25887 53 1 1 . 1 1 110 110 GLY N N 110 113.069 113.069 104.801 8.268 25887 54 1 1 . 1 1 110 110 GLY C C 110 172.546 172.546 174.655 -2.109 25887 55 1 1 . 1 1 110 110 GLY CA C 110 45.708 45.708 44.780 0.928 25887 56 1 1 . 1 1 110 110 GLY H H 110 9.442 9.442 7.908 1.534 25887 57 1 1 . 1 1 111 111 GLY N N 111 106.335 106.335 108.850 -2.515 25887 58 1 1 . 1 1 111 111 GLY C C 111 171.664 171.664 174.834 -3.170 25887 59 1 1 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.391 -0.135 25887 60 1 1 . 1 1 111 111 GLY H H 111 7.095 7.095 7.293 -0.199 25887 61 1 1 . 1 1 112 112 CYS N N 112 111.804 111.804 118.385 -6.581 25887 62 1 1 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.433 0.323 25887 63 1 1 . 1 1 112 112 CYS C C 112 171.027 171.027 174.547 -3.520 25887 64 1 1 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.399 -2.276 25887 65 1 1 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.936 13.854 25887 66 1 1 . 1 1 112 112 CYS H H 112 8.477 8.477 7.694 0.783 25887 67 1 1 . 1 1 113 113 SER N N 113 116.083 116.083 117.045 -0.962 25887 68 1 1 . 1 1 113 113 SER HA H 113 4.603 4.603 4.097 0.506 25887 69 1 1 . 1 1 113 113 SER C C 113 174.536 174.536 172.810 1.726 25887 70 1 1 . 1 1 113 113 SER CA C 113 56.493 56.493 57.548 -1.055 25887 71 1 1 . 1 1 113 113 SER CB C 113 65.160 65.160 65.349 -0.189 25887 72 1 1 . 1 1 113 113 SER H H 113 8.693 8.693 8.302 0.391 25887 73 1 1 . 1 1 114 114 HIS N N 114 126.668 126.668 120.811 5.857 25887 74 1 1 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.675 -0.107 25887 75 1 1 . 1 1 114 114 HIS C C 114 172.515 172.515 174.739 -2.224 25887 76 1 1 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.449 0.438 25887 77 1 1 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.652 -5.376 25887 78 1 1 . 1 1 114 114 HIS H H 114 11.587 11.587 7.912 3.675 25887 79 1 1 . 1 1 115 115 GLY N N 115 119.128 119.128 113.325 5.803 25887 80 1 1 . 1 1 115 115 GLY C C 115 173.018 173.018 174.178 -1.160 25887 81 1 1 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.467 0.990 25887 82 1 1 . 1 1 115 115 GLY H H 115 9.361 9.361 8.795 0.566 25887 83 1 1 . 1 1 116 116 SER N N 116 118.656 118.656 120.750 -2.094 25887 84 1 1 . 1 1 116 116 SER HA H 116 4.451 4.451 4.848 -0.397 25887 85 1 1 . 1 1 116 116 SER C C 116 171.848 171.848 173.561 -1.713 25887 86 1 1 . 1 1 116 116 SER CA C 116 57.256 57.256 57.152 0.104 25887 87 1 1 . 1 1 116 116 SER CB C 116 64.697 64.697 67.064 -2.367 25887 88 1 1 . 1 1 116 116 SER H H 116 8.151 8.151 8.945 -0.794 25887 89 1 1 . 1 1 117 117 ARG N N 117 124.682 124.682 120.993 3.689 25887 90 1 1 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.366 -0.412 25887 91 1 1 . 1 1 117 117 ARG C C 117 176.671 176.671 175.768 0.903 25887 92 1 1 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.469 1.286 25887 93 1 1 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.078 1.039 25887 94 1 1 . 1 1 117 117 ARG H H 117 7.629 7.629 8.198 -0.569 25887 95 1 1 . 1 1 118 118 CYS N N 118 122.932 122.932 123.504 -0.572 25887 96 1 1 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.152 0.722 25887 97 1 1 . 1 1 118 118 CYS C C 118 174.577 174.577 174.912 -0.335 25887 98 1 1 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.381 -6.385 25887 99 1 1 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.535 11.762 25887 100 1 1 . 1 1 118 118 CYS H H 118 7.852 7.852 7.762 0.090 25887 101 1 1 . 1 1 119 119 LEU N N 119 120.027 120.027 121.624 -1.597 25887 102 1 1 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.392 -0.091 25887 103 1 1 . 1 1 119 119 LEU C C 119 178.394 178.394 178.889 -0.495 25887 104 1 1 . 1 1 119 119 LEU CA C 119 55.216 55.216 53.504 1.712 25887 105 1 1 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.799 -1.108 25887 106 1 1 . 1 1 119 119 LEU H H 119 7.980 7.980 8.332 -0.352 25887 107 1 1 . 1 1 120 120 ARG N N 120 120.159 120.159 124.487 -4.328 25887 108 1 1 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.891 0.147 25887 109 1 1 . 1 1 120 120 ARG C C 120 175.624 175.624 176.424 -0.800 25887 110 1 1 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.915 -0.499 25887 111 1 1 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.143 -0.155 25887 112 1 1 . 1 1 120 120 ARG H H 120 8.523 8.523 8.658 -0.135 25887 113 1 1 . 1 1 121 121 ASP N N 121 115.199 115.199 116.877 -1.678 25887 114 1 1 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.575 -0.045 25887 115 1 1 . 1 1 121 121 ASP C C 121 175.593 175.593 175.865 -0.272 25887 116 1 1 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.180 -0.756 25887 117 1 1 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.801 -0.767 25887 118 1 1 . 1 1 121 121 ASP H H 121 8.252 8.252 8.315 -0.063 25887 119 1 1 . 1 1 122 122 SER N N 122 114.383 114.383 113.553 0.830 25887 120 1 1 . 1 1 122 122 SER HA H 122 4.124 4.124 4.430 -0.306 25887 121 1 1 . 1 1 122 122 SER C C 122 173.264 173.264 174.404 -1.140 25887 122 1 1 . 1 1 122 122 SER CA C 122 60.703 60.703 59.227 1.476 25887 123 1 1 . 1 1 122 122 SER CB C 122 62.879 62.879 62.918 -0.039 25887 124 1 1 . 1 1 122 122 SER H H 122 7.612 7.612 7.756 -0.144 25887 125 1 1 . 1 1 123 123 THR N N 123 111.852 111.852 121.701 -9.849 25887 126 1 1 . 1 1 123 123 THR HA H 123 4.519 4.519 4.491 0.028 25887 127 1 1 . 1 1 123 123 THR C C 123 173.356 173.356 173.432 -0.076 25887 128 1 1 . 1 1 123 123 THR CA C 123 61.888 61.888 62.014 -0.126 25887 129 1 1 . 1 1 123 123 THR CB C 123 70.830 70.830 69.339 1.491 25887 130 1 1 . 1 1 123 123 THR H H 123 8.413 8.413 8.581 -0.168 25887 131 1 1 . 1 1 124 124 HIS N N 124 120.615 120.615 117.483 3.132 25887 132 1 1 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.944 0.212 25887 133 1 1 . 1 1 124 124 HIS C C 124 174.177 174.177 173.988 0.189 25887 134 1 1 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.214 0.786 25887 135 1 1 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.285 1.459 25887 136 1 1 . 1 1 124 124 HIS H H 124 8.630 8.630 7.725 0.905 25887 137 1 1 . 1 1 125 125 CYS N N 125 115.755 115.755 118.322 -2.567 25887 138 1 1 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.257 0.459 25887 139 1 1 . 1 1 125 125 CYS C C 125 174.906 174.906 173.456 1.450 25887 140 1 1 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.896 -5.724 25887 141 1 1 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.328 7.156 25887 142 1 1 . 1 1 125 125 CYS H H 125 9.102 9.102 8.581 0.521 25887 143 1 1 . 1 1 126 126 VAL N N 126 121.353 121.353 120.288 1.065 25887 144 1 1 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.497 0.702 25887 145 1 1 . 1 1 126 126 VAL C C 126 176.004 176.004 174.729 1.275 25887 146 1 1 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.800 -0.245 25887 147 1 1 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.586 0.019 25887 148 1 1 . 1 1 126 126 VAL H H 126 9.077 9.077 9.206 -0.129 25887 149 1 1 . 1 1 127 127 THR N N 127 125.497 125.497 122.642 2.855 25887 150 1 1 . 1 1 127 127 THR HA H 127 5.192 5.192 4.714 0.478 25887 151 1 1 . 1 1 127 127 THR C C 127 173.510 173.510 173.265 0.245 25887 152 1 1 . 1 1 127 127 THR CA C 127 61.909 61.909 61.639 0.270 25887 153 1 1 . 1 1 127 127 THR CB C 127 71.018 71.018 70.320 0.698 25887 154 1 1 . 1 1 127 127 THR H H 127 9.031 9.031 8.430 0.601 25887 155 1 1 . 1 1 128 128 THR N N 128 121.196 121.196 119.975 1.221 25887 156 1 1 . 1 1 128 128 THR HA H 128 5.500 5.500 5.338 0.162 25887 157 1 1 . 1 1 128 128 THR C C 128 172.228 172.228 173.257 -1.029 25887 158 1 1 . 1 1 128 128 THR CA C 128 59.004 59.004 59.574 -0.570 25887 159 1 1 . 1 1 128 128 THR CB C 128 70.306 70.306 69.721 0.586 25887 160 1 1 . 1 1 128 128 THR H H 128 9.625 9.625 8.602 1.023 25887 161 1 1 . 1 1 129 129 ALA N N 129 124.169 124.169 129.662 -5.493 25887 162 1 1 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.219 0.281 25887 163 1 1 . 1 1 129 129 ALA C C 129 176.424 176.424 176.323 0.101 25887 164 1 1 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.497 -0.002 25887 165 1 1 . 1 1 129 129 ALA CB C 129 21.348 21.348 20.249 1.099 25887 166 1 1 . 1 1 129 129 ALA H H 129 8.539 8.539 8.236 0.303 25887 167 1 1 . 1 1 130 130 THR N N 130 116.687 116.687 117.599 -0.912 25887 168 1 1 . 1 1 130 130 THR HA H 130 4.890 4.890 4.570 0.320 25887 169 1 1 . 1 1 130 130 THR C C 130 172.854 172.854 173.497 -0.643 25887 170 1 1 . 1 1 130 130 THR CA C 130 60.678 60.678 61.145 -0.467 25887 171 1 1 . 1 1 130 130 THR CB C 130 70.352 70.352 70.992 -0.640 25887 172 1 1 . 1 1 130 130 THR H H 130 8.636 8.636 8.753 -0.117 25887 173 1 1 . 1 1 131 131 ARG N N 131 124.260 124.260 120.557 3.703 25887 174 1 1 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.469 0.181 25887 175 1 1 . 1 1 131 131 ARG C C 131 175.603 175.603 175.636 -0.033 25887 176 1 1 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.975 -0.517 25887 177 1 1 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.056 -0.301 25887 178 1 1 . 1 1 131 131 ARG H H 131 8.540 8.540 8.706 -0.166 25887 179 1 1 . 1 1 132 132 VAL N N 132 121.349 121.349 113.040 8.309 25887 180 1 1 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.443 -0.211 25887 181 1 1 . 1 1 132 132 VAL C C 132 175.727 175.727 176.368 -0.641 25887 182 1 1 . 1 1 132 132 VAL CA C 132 61.835 61.835 59.865 1.970 25887 183 1 1 . 1 1 132 132 VAL CB C 132 32.636 32.636 33.914 -1.278 25887 184 1 1 . 1 1 132 132 VAL H H 132 8.430 8.430 7.832 0.598 25887 185 1 1 . 1 1 133 133 LEU N N 133 124.364 124.364 116.424 7.940 25887 186 1 1 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.392 0.060 25887 187 1 1 . 1 1 133 133 LEU C C 133 176.753 176.753 177.354 -0.601 25887 188 1 1 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.146 -1.398 25887 189 1 1 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.310 -0.437 25887 190 1 1 . 1 1 133 133 LEU H H 133 8.246 8.246 8.436 -0.190 25887 191 1 1 . 1 1 134 134 SER N N 134 114.791 114.791 114.274 0.517 25887 192 1 1 . 1 1 134 134 SER HA H 134 4.490 4.490 4.300 0.190 25887 193 1 1 . 1 1 134 134 SER C C 134 173.900 173.900 174.631 -0.731 25887 194 1 1 . 1 1 134 134 SER CA C 134 57.970 57.970 58.847 -0.877 25887 195 1 1 . 1 1 134 134 SER CB C 134 63.375 63.375 64.243 -0.868 25887 196 1 1 . 1 1 134 134 SER H H 134 8.078 8.078 7.944 0.134 25887 197 1 1 . 1 1 135 135 ASN N N 135 119.634 119.634 121.388 -1.754 25887 198 1 1 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.706 0.071 25887 199 1 1 . 1 1 135 135 ASN C C 135 175.337 175.337 174.966 0.371 25887 200 1 1 . 1 1 135 135 ASN CA C 135 53.070 53.070 53.705 -0.635 25887 201 1 1 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.977 -0.631 25887 202 1 1 . 1 1 135 135 ASN H H 135 8.287 8.287 8.613 -0.326 25887 203 1 1 . 1 1 136 136 THR N N 136 112.097 112.097 114.391 -2.294 25887 204 1 1 . 1 1 136 136 THR HA H 136 4.311 4.311 4.520 -0.209 25887 205 1 1 . 1 1 136 136 THR C C 136 174.280 174.280 173.439 0.841 25887 206 1 1 . 1 1 136 136 THR CA C 136 62.131 62.131 61.592 0.539 25887 207 1 1 . 1 1 136 136 THR CB C 136 69.106 69.106 69.795 -0.689 25887 208 1 1 . 1 1 136 136 THR H H 136 8.085 8.085 7.425 0.660 25887 209 1 1 . 1 1 137 137 GLU N N 137 120.207 120.207 126.193 -5.986 25887 210 1 1 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.598 -0.234 25887 211 1 1 . 1 1 137 137 GLU C C 137 175.296 175.296 176.651 -1.355 25887 212 1 1 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.777 -0.023 25887 213 1 1 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.280 -3.091 25887 214 1 1 . 1 1 137 137 GLU H H 137 8.035 8.035 8.417 -0.382 25887 215 1 1 . 1 1 138 138 ASP N N 138 119.742 119.742 121.575 -1.833 25887 216 1 1 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.565 0.040 25887 217 1 1 . 1 1 138 138 ASP C C 138 174.978 174.978 176.315 -1.337 25887 218 1 1 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.968 -1.088 25887 219 1 1 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.381 -1.146 25887 220 1 1 . 1 1 138 138 ASP H H 138 8.097 8.097 8.712 -0.615 25887 221 1 1 . 1 1 139 139 LEU N N 139 121.008 121.008 117.805 3.203 25887 222 1 1 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.710 0.067 25887 223 1 1 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.117 -0.106 25887 224 1 1 . 1 1 139 139 LEU CB C 139 42.693 42.693 41.558 1.135 25887 225 1 1 . 1 1 139 139 LEU H H 139 8.021 8.021 7.410 0.611 25887 226 1 1 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.451 0.183 25887 227 1 1 . 1 1 140 140 PRO C C 140 175.419 175.419 175.753 -0.334 25887 228 1 1 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.238 -0.175 25887 229 1 1 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.839 -0.949 25887 230 1 1 . 1 1 141 141 LEU N N 141 123.715 123.715 122.539 1.176 25887 231 1 1 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.477 -0.301 25887 232 1 1 . 1 1 141 141 LEU C C 141 175.870 175.870 175.339 0.531 25887 233 1 1 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.303 0.887 25887 234 1 1 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.716 -2.038 25887 235 1 1 . 1 1 141 141 LEU H H 141 8.569 8.569 8.201 0.368 25887 236 1 1 . 1 1 142 142 VAL N N 142 131.573 131.573 125.227 6.346 25887 237 1 1 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.748 0.402 25887 238 1 1 . 1 1 142 142 VAL C C 142 174.198 174.198 174.975 -0.777 25887 239 1 1 . 1 1 142 142 VAL CA C 142 60.583 60.583 61.133 -0.550 25887 240 1 1 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.142 0.088 25887 241 1 1 . 1 1 142 142 VAL H H 142 9.005 9.005 8.311 0.694 25887 242 1 1 . 1 1 143 143 THR N N 143 121.430 121.430 124.041 -2.611 25887 243 1 1 . 1 1 143 143 THR HA H 143 4.967 4.967 4.916 0.051 25887 244 1 1 . 1 1 143 143 THR C C 143 172.546 172.546 173.833 -1.287 25887 245 1 1 . 1 1 143 143 THR CA C 143 61.343 61.343 62.406 -1.063 25887 246 1 1 . 1 1 143 143 THR CB C 143 69.917 69.917 69.751 0.166 25887 247 1 1 . 1 1 143 143 THR H H 143 8.744 8.744 8.472 0.272 25887 248 1 1 . 1 1 144 144 LYS N N 144 126.310 126.310 128.329 -2.019 25887 249 1 1 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.327 0.262 25887 250 1 1 . 1 1 144 144 LYS C C 144 175.839 175.839 176.037 -0.198 25887 251 1 1 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.164 -0.497 25887 252 1 1 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.600 -0.023 25887 253 1 1 . 1 1 144 144 LYS H H 144 9.397 9.397 8.311 1.086 25887 254 1 1 . 1 1 145 145 MET N N 145 117.942 117.942 117.888 0.054 25887 255 1 1 . 1 1 145 145 MET HA H 145 5.058 5.058 4.972 0.086 25887 256 1 1 . 1 1 145 145 MET C C 145 174.454 174.454 173.103 1.351 25887 257 1 1 . 1 1 145 145 MET CA C 145 54.843 54.843 54.572 0.271 25887 258 1 1 . 1 1 145 145 MET CB C 145 35.827 35.827 35.266 0.561 25887 259 1 1 . 1 1 145 145 MET H H 145 8.729 8.729 8.779 -0.050 25887 260 1 1 . 1 1 146 146 CYS N N 146 119.031 119.031 117.265 1.766 25887 261 1 1 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.486 0.022 25887 262 1 1 . 1 1 146 146 CYS C C 146 175.029 175.029 174.193 0.836 25887 263 1 1 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.801 -1.132 25887 264 1 1 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.588 15.710 25887 265 1 1 . 1 1 146 146 CYS H H 146 8.642 8.642 8.499 0.143 25887 266 1 1 . 1 1 147 147 HIS N N 147 120.858 120.858 119.388 1.470 25887 267 1 1 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.678 -0.035 25887 268 1 1 . 1 1 147 147 HIS C C 147 173.223 173.223 174.460 -1.237 25887 269 1 1 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.364 1.237 25887 270 1 1 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.031 0.789 25887 271 1 1 . 1 1 147 147 HIS H H 147 9.423 9.423 8.768 0.655 25887 272 1 1 . 1 1 148 148 ILE N N 148 125.370 125.370 120.999 4.371 25887 273 1 1 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.322 0.048 25887 274 1 1 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.559 0.979 25887 275 1 1 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.509 -0.413 25887 276 1 1 . 1 1 148 148 ILE H H 148 8.374 8.374 8.052 0.322 25887 277 1 1 . 1 1 149 149 GLY N N 149 118.093 118.093 110.095 7.998 25887 278 1 1 . 1 1 149 149 GLY C C 149 170.853 170.853 172.067 -1.214 25887 279 1 1 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.056 -1.515 25887 280 1 1 . 1 1 149 149 GLY H H 149 8.367 8.367 7.551 0.816 25887 281 1 1 . 1 1 150 150 CYS N N 150 118.529 118.529 121.030 -2.501 25887 282 1 1 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.923 -0.105 25887 283 1 1 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.448 -6.183 25887 284 1 1 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.158 12.594 25887 285 1 1 . 1 1 150 150 CYS H H 150 8.187 8.187 8.500 -0.313 25887 286 1 1 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.565 -0.221 25887 287 1 1 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.861 -0.433 25887 288 1 1 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.284 -0.612 25887 289 1 1 . 1 1 152 152 ASP N N 152 117.148 117.148 119.520 -2.372 25887 290 1 1 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.869 -0.229 25887 291 1 1 . 1 1 152 152 ASP C C 152 175.624 175.624 174.948 0.676 25887 292 1 1 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.847 -2.437 25887 293 1 1 . 1 1 152 152 ASP CB C 152 41.691 41.691 43.279 -1.588 25887 294 1 1 . 1 1 152 152 ASP H H 152 7.668 7.668 8.254 -0.586 25887 295 1 1 . 1 1 153 153 ILE N N 153 119.719 119.719 121.763 -2.044 25887 296 1 1 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.492 -0.579 25887 297 1 1 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.993 6.003 25887 298 1 1 . 1 1 153 153 ILE CB C 153 35.994 35.994 39.983 -3.989 25887 299 1 1 . 1 1 153 153 ILE H H 153 8.327 8.327 8.355 -0.028 25887 300 1 1 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.441 -0.077 25887 301 1 1 . 1 1 154 154 PRO C C 154 178.333 178.333 177.798 0.535 25887 302 1 1 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.296 0.707 25887 303 1 1 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.860 -1.083 25887 304 1 1 . 1 1 155 155 SER N N 155 112.667 112.667 113.754 -1.087 25887 305 1 1 . 1 1 155 155 SER HA H 155 4.303 4.303 4.267 0.036 25887 306 1 1 . 1 1 155 155 SER C C 155 175.450 175.450 175.734 -0.284 25887 307 1 1 . 1 1 155 155 SER CA C 155 60.312 60.312 60.117 0.195 25887 308 1 1 . 1 1 155 155 SER CB C 155 62.816 62.816 62.523 0.293 25887 309 1 1 . 1 1 155 155 SER H H 155 7.883 7.883 8.073 -0.190 25887 310 1 1 . 1 1 156 156 LEU N N 156 120.903 120.903 121.825 -0.922 25887 311 1 1 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.152 0.153 25887 312 1 1 . 1 1 156 156 LEU C C 156 177.974 177.974 176.666 1.308 25887 313 1 1 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.942 -1.426 25887 314 1 1 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.279 -0.198 25887 315 1 1 . 1 1 156 156 LEU H H 156 7.770 7.770 7.406 0.364 25887 316 1 1 . 1 1 157 157 GLY N N 157 105.004 105.004 106.172 -1.168 25887 317 1 1 . 1 1 157 157 GLY C C 157 174.321 174.321 173.918 0.403 25887 318 1 1 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.258 0.929 25887 319 1 1 . 1 1 157 157 GLY H H 157 7.666 7.666 7.558 0.108 25887 320 1 1 . 1 1 158 158 LEU N N 158 119.534 119.534 118.050 1.484 25887 321 1 1 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.680 -0.148 25887 322 1 1 . 1 1 158 158 LEU C C 158 176.712 176.712 177.267 -0.555 25887 323 1 1 . 1 1 158 158 LEU CA C 158 53.760 53.760 54.224 -0.464 25887 324 1 1 . 1 1 158 158 LEU CB C 158 42.761 42.761 41.926 0.835 25887 325 1 1 . 1 1 158 158 LEU H H 158 8.203 8.203 8.417 -0.214 25887 326 1 1 . 1 1 159 159 GLY N N 159 108.700 108.700 107.442 1.258 25887 327 1 1 . 1 1 159 159 GLY CA C 159 44.416 44.416 44.966 -0.550 25887 328 1 1 . 1 1 159 159 GLY H H 159 8.055 8.055 7.841 0.214 25887 329 1 1 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.361 0.015 25887 330 1 1 . 1 1 160 160 PRO C C 160 177.112 177.112 176.262 0.850 25887 331 1 1 . 1 1 160 160 PRO CA C 160 63.311 63.311 62.518 0.793 25887 332 1 1 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.141 -0.579 25887 333 1 1 . 1 1 161 161 TYR N N 161 119.287 119.287 113.736 5.551 25887 334 1 1 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.215 0.603 25887 335 1 1 . 1 1 161 161 TYR CA C 161 56.419 56.419 58.818 -2.399 25887 336 1 1 . 1 1 161 161 TYR CB C 161 36.961 36.961 36.539 0.422 25887 337 1 1 . 1 1 161 161 TYR H H 161 8.130 8.130 7.918 0.212 25887 338 1 1 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.229 0.504 25887 339 1 1 . 1 1 162 162 VAL CA C 162 60.346 60.346 61.206 -0.860 25887 340 1 1 . 1 1 162 162 VAL CB C 162 38.408 38.408 33.725 4.683 25887 341 1 1 . 1 1 163 163 SER N N 163 119.428 119.428 123.567 -4.139 25887 342 1 1 . 1 1 163 163 SER HA H 163 4.788 4.788 4.837 -0.049 25887 343 1 1 . 1 1 163 163 SER C C 163 173.141 173.141 172.882 0.259 25887 344 1 1 . 1 1 163 163 SER CA C 163 56.672 56.672 56.914 -0.242 25887 345 1 1 . 1 1 163 163 SER CB C 163 64.650 64.650 64.805 -0.155 25887 346 1 1 . 1 1 163 163 SER H H 163 8.641 8.641 8.291 0.350 25887 347 1 1 . 1 1 164 164 ILE N N 164 123.448 123.448 126.279 -2.831 25887 348 1 1 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.745 0.001 25887 349 1 1 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.415 0.214 25887 350 1 1 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.443 0.868 25887 351 1 1 . 1 1 164 164 ILE H H 164 8.496 8.496 8.651 -0.155 25887 352 1 1 . 1 1 165 165 ALA N N 165 129.783 129.783 131.428 -1.645 25887 353 1 1 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.830 0.040 25887 354 1 1 . 1 1 165 165 ALA C C 165 176.219 176.219 175.847 0.372 25887 355 1 1 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.695 0.085 25887 356 1 1 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.178 1.170 25887 357 1 1 . 1 1 165 165 ALA H H 165 8.941 8.941 8.770 0.171 25887 358 1 1 . 1 1 166 166 CYS N N 166 119.842 119.842 120.938 -1.096 25887 359 1 1 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.514 0.038 25887 360 1 1 . 1 1 166 166 CYS C C 166 172.289 172.289 174.926 -2.637 25887 361 1 1 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.301 -4.182 25887 362 1 1 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.601 19.225 25887 363 1 1 . 1 1 166 166 CYS H H 166 9.049 9.049 8.603 0.446 25887 364 1 1 . 1 1 167 167 CYS N N 167 118.569 118.569 117.457 1.112 25887 365 1 1 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.861 0.375 25887 366 1 1 . 1 1 167 167 CYS C C 167 173.562 173.562 173.310 0.252 25887 367 1 1 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.420 -3.279 25887 368 1 1 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.070 15.393 25887 369 1 1 . 1 1 167 167 CYS H H 167 9.297 9.297 8.941 0.356 25887 370 1 1 . 1 1 168 168 GLN N N 168 118.916 118.916 120.848 -1.932 25887 371 1 1 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.481 0.349 25887 372 1 1 . 1 1 168 168 GLN C C 168 174.362 174.362 174.534 -0.172 25887 373 1 1 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.474 0.511 25887 374 1 1 . 1 1 168 168 GLN CB C 168 31.688 31.688 26.837 4.851 25887 375 1 1 . 1 1 168 168 GLN H H 168 9.105 9.105 8.656 0.449 25887 376 1 1 . 1 1 169 169 THR N N 169 110.926 110.926 112.412 -1.486 25887 377 1 1 . 1 1 169 169 THR HA H 169 4.813 4.813 4.555 0.258 25887 378 1 1 . 1 1 169 169 THR C C 169 173.859 173.859 173.930 -0.071 25887 379 1 1 . 1 1 169 169 THR CA C 169 60.038 60.038 60.124 -0.086 25887 380 1 1 . 1 1 169 169 THR CB C 169 71.377 71.377 71.807 -0.430 25887 381 1 1 . 1 1 169 169 THR H H 169 7.540 7.540 7.483 0.057 25887 382 1 1 . 1 1 170 170 SER N N 170 117.386 117.386 119.242 -1.856 25887 383 1 1 . 1 1 170 170 SER HA H 170 4.850 4.850 4.288 0.562 25887 384 1 1 . 1 1 170 170 SER C C 170 175.757 175.757 175.816 -0.059 25887 385 1 1 . 1 1 170 170 SER CA C 170 60.987 60.987 58.939 2.048 25887 386 1 1 . 1 1 170 170 SER CB C 170 63.104 63.104 63.380 -0.276 25887 387 1 1 . 1 1 170 170 SER H H 170 8.814 8.814 8.614 0.200 25887 388 1 1 . 1 1 171 171 LEU N N 171 116.724 116.724 119.138 -2.414 25887 389 1 1 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.812 -0.152 25887 390 1 1 . 1 1 171 171 LEU C C 171 176.055 176.055 177.243 -1.188 25887 391 1 1 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.672 0.353 25887 392 1 1 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.464 -2.176 25887 393 1 1 . 1 1 171 171 LEU H H 171 9.570 9.570 8.608 0.962 25887 394 1 1 . 1 1 172 172 CYS N N 172 113.842 113.842 114.453 -0.611 25887 395 1 1 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.514 0.100 25887 396 1 1 . 1 1 172 172 CYS C C 172 174.424 174.424 174.818 -0.394 25887 397 1 1 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.752 0.058 25887 398 1 1 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.749 19.822 25887 399 1 1 . 1 1 172 172 CYS H H 172 8.221 8.221 7.690 0.531 25887 400 1 1 . 1 1 173 173 ASN N N 173 121.019 121.019 118.217 2.802 25887 401 1 1 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.874 -0.117 25887 402 1 1 . 1 1 173 173 ASN C C 173 174.239 174.239 175.185 -0.946 25887 403 1 1 . 1 1 173 173 ASN CA C 173 51.765 51.765 52.590 -0.825 25887 404 1 1 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.513 -3.112 25887 405 1 1 . 1 1 173 173 ASN H H 173 8.458 8.458 8.166 0.292 25887 406 1 1 . 1 1 174 174 HIS N N 174 115.973 115.973 120.701 -4.728 25887 407 1 1 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.551 -0.239 25887 408 1 1 . 1 1 174 174 HIS C C 174 173.213 173.213 175.764 -2.551 25887 409 1 1 . 1 1 174 174 HIS CA C 174 53.844 53.844 58.620 -4.776 25887 410 1 1 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.561 -1.451 25887 411 1 1 . 1 1 174 174 HIS H H 174 7.170 7.170 7.560 -0.390 25887 412 1 2 . 1 1 101 101 ILE N N 101 123.543 123.543 119.069 4.474 25887 413 1 2 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.918 -0.310 25887 414 1 2 . 1 1 101 101 ILE C C 101 172.659 172.659 173.574 -0.915 25887 415 1 2 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.832 0.822 25887 416 1 2 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.336 -0.035 25887 417 1 2 . 1 1 101 101 ILE H H 101 8.681 8.681 8.465 0.216 25887 418 1 2 . 1 1 102 102 TRP N N 102 123.817 123.817 120.758 3.059 25887 419 1 2 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.158 -0.060 25887 420 1 2 . 1 1 102 102 TRP C C 102 175.757 175.757 175.780 -0.023 25887 421 1 2 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.286 -0.507 25887 422 1 2 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.194 0.012 25887 423 1 2 . 1 1 102 102 TRP H H 102 8.008 8.008 8.494 -0.486 25887 424 1 2 . 1 1 103 103 CYS N N 103 116.424 116.424 118.610 -2.186 25887 425 1 2 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.826 0.269 25887 426 1 2 . 1 1 103 103 CYS C C 103 175.070 175.070 173.563 1.507 25887 427 1 2 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.625 -5.614 25887 428 1 2 . 1 1 103 103 CYS CB C 103 41.944 41.944 32.277 9.667 25887 429 1 2 . 1 1 103 103 CYS H H 103 8.481 8.481 9.151 -0.670 25887 430 1 2 . 1 1 104 104 HIS N N 104 123.159 123.159 119.084 4.075 25887 431 1 2 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.361 -0.765 25887 432 1 2 . 1 1 104 104 HIS C C 104 176.075 176.075 175.356 0.719 25887 433 1 2 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.888 2.845 25887 434 1 2 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.320 0.664 25887 435 1 2 . 1 1 104 104 HIS H H 104 9.364 9.364 8.577 0.787 25887 436 1 2 . 1 1 105 105 GLN N N 105 123.570 123.570 121.786 1.784 25887 437 1 2 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.849 0.129 25887 438 1 2 . 1 1 105 105 GLN C C 105 173.623 173.623 175.209 -1.586 25887 439 1 2 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.315 -0.946 25887 440 1 2 . 1 1 105 105 GLN CB C 105 30.782 30.782 28.891 1.891 25887 441 1 2 . 1 1 105 105 GLN H H 105 8.108 8.108 8.334 -0.226 25887 442 1 2 . 1 1 106 106 CYS N N 106 118.604 118.604 119.246 -0.642 25887 443 1 2 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.525 0.426 25887 444 1 2 . 1 1 106 106 CYS C C 106 171.120 171.120 176.397 -5.277 25887 445 1 2 . 1 1 106 106 CYS CA C 106 53.907 53.907 59.550 -5.643 25887 446 1 2 . 1 1 106 106 CYS CB C 106 40.639 40.639 30.300 10.339 25887 447 1 2 . 1 1 106 106 CYS H H 106 8.458 8.458 7.974 0.484 25887 448 1 2 . 1 1 107 107 THR N N 107 113.541 113.541 116.720 -3.179 25887 449 1 2 . 1 1 107 107 THR HA H 107 5.500 5.500 4.232 1.268 25887 450 1 2 . 1 1 107 107 THR C C 107 173.592 173.592 175.141 -1.549 25887 451 1 2 . 1 1 107 107 THR CA C 107 60.161 60.161 65.434 -5.273 25887 452 1 2 . 1 1 107 107 THR CB C 107 71.879 71.879 69.396 2.483 25887 453 1 2 . 1 1 107 107 THR H H 107 8.400 8.400 8.862 -0.462 25887 454 1 2 . 1 1 108 108 GLY N N 108 110.549 110.549 107.204 3.345 25887 455 1 2 . 1 1 108 108 GLY C C 108 171.694 171.694 172.874 -1.180 25887 456 1 2 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.969 0.479 25887 457 1 2 . 1 1 108 108 GLY H H 108 8.817 8.817 7.303 1.514 25887 458 1 2 . 1 1 109 109 PHE N N 109 120.830 120.830 120.047 0.783 25887 459 1 2 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.164 0.960 25887 460 1 2 . 1 1 109 109 PHE C C 109 177.225 177.225 175.994 1.231 25887 461 1 2 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.275 0.163 25887 462 1 2 . 1 1 109 109 PHE CB C 109 38.408 38.408 36.446 1.962 25887 463 1 2 . 1 1 109 109 PHE H H 109 8.924 8.924 8.469 0.455 25887 464 1 2 . 1 1 110 110 GLY N N 110 113.069 113.069 104.875 8.194 25887 465 1 2 . 1 1 110 110 GLY C C 110 172.546 172.546 174.955 -2.409 25887 466 1 2 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.173 0.535 25887 467 1 2 . 1 1 110 110 GLY H H 110 9.442 9.442 7.699 1.743 25887 468 1 2 . 1 1 111 111 GLY N N 111 106.335 106.335 106.561 -0.226 25887 469 1 2 . 1 1 111 111 GLY C C 111 171.664 171.664 175.604 -3.940 25887 470 1 2 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.597 -0.341 25887 471 1 2 . 1 1 111 111 GLY H H 111 7.095 7.095 7.907 -0.812 25887 472 1 2 . 1 1 112 112 CYS N N 112 111.804 111.804 116.534 -4.730 25887 473 1 2 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.420 0.336 25887 474 1 2 . 1 1 112 112 CYS C C 112 171.027 171.027 174.859 -3.832 25887 475 1 2 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.165 -2.042 25887 476 1 2 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.746 13.044 25887 477 1 2 . 1 1 112 112 CYS H H 112 8.477 8.477 7.764 0.713 25887 478 1 2 . 1 1 113 113 SER N N 113 116.083 116.083 116.531 -0.448 25887 479 1 2 . 1 1 113 113 SER HA H 113 4.603 4.603 4.205 0.398 25887 480 1 2 . 1 1 113 113 SER C C 113 174.536 174.536 173.325 1.211 25887 481 1 2 . 1 1 113 113 SER CA C 113 56.493 56.493 57.298 -0.805 25887 482 1 2 . 1 1 113 113 SER CB C 113 65.160 65.160 64.724 0.436 25887 483 1 2 . 1 1 113 113 SER H H 113 8.693 8.693 8.287 0.406 25887 484 1 2 . 1 1 114 114 HIS N N 114 126.668 126.668 123.089 3.579 25887 485 1 2 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.755 -0.187 25887 486 1 2 . 1 1 114 114 HIS C C 114 172.515 172.515 173.858 -1.343 25887 487 1 2 . 1 1 114 114 HIS CA C 114 56.887 56.887 57.034 -0.147 25887 488 1 2 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.316 -5.040 25887 489 1 2 . 1 1 114 114 HIS H H 114 11.587 11.587 8.480 3.107 25887 490 1 2 . 1 1 115 115 GLY N N 115 119.128 119.128 112.755 6.373 25887 491 1 2 . 1 1 115 115 GLY C C 115 173.018 173.018 174.036 -1.018 25887 492 1 2 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.671 0.786 25887 493 1 2 . 1 1 115 115 GLY H H 115 9.361 9.361 8.680 0.681 25887 494 1 2 . 1 1 116 116 SER N N 116 118.656 118.656 118.751 -0.095 25887 495 1 2 . 1 1 116 116 SER HA H 116 4.451 4.451 4.997 -0.546 25887 496 1 2 . 1 1 116 116 SER C C 116 171.848 171.848 172.826 -0.978 25887 497 1 2 . 1 1 116 116 SER CA C 116 57.256 57.256 57.382 -0.126 25887 498 1 2 . 1 1 116 116 SER CB C 116 64.697 64.697 67.087 -2.390 25887 499 1 2 . 1 1 116 116 SER H H 116 8.151 8.151 9.104 -0.953 25887 500 1 2 . 1 1 117 117 ARG N N 117 124.682 124.682 120.827 3.855 25887 501 1 2 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.362 -0.408 25887 502 1 2 . 1 1 117 117 ARG C C 117 176.671 176.671 175.536 1.135 25887 503 1 2 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.062 0.693 25887 504 1 2 . 1 1 117 117 ARG CB C 117 30.117 30.117 30.079 0.038 25887 505 1 2 . 1 1 117 117 ARG H H 117 7.629 7.629 8.215 -0.586 25887 506 1 2 . 1 1 118 118 CYS N N 118 122.932 122.932 122.992 -0.060 25887 507 1 2 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.387 0.487 25887 508 1 2 . 1 1 118 118 CYS C C 118 174.577 174.577 174.148 0.429 25887 509 1 2 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.842 -5.846 25887 510 1 2 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.760 10.537 25887 511 1 2 . 1 1 118 118 CYS H H 118 7.852 7.852 8.025 -0.173 25887 512 1 2 . 1 1 119 119 LEU N N 119 120.027 120.027 121.497 -1.470 25887 513 1 2 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.377 -0.076 25887 514 1 2 . 1 1 119 119 LEU C C 119 178.394 178.394 178.492 -0.098 25887 515 1 2 . 1 1 119 119 LEU CA C 119 55.216 55.216 53.339 1.877 25887 516 1 2 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.954 -1.263 25887 517 1 2 . 1 1 119 119 LEU H H 119 7.980 7.980 8.470 -0.490 25887 518 1 2 . 1 1 120 120 ARG N N 120 120.159 120.159 123.406 -3.247 25887 519 1 2 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.878 0.160 25887 520 1 2 . 1 1 120 120 ARG C C 120 175.624 175.624 176.169 -0.545 25887 521 1 2 . 1 1 120 120 ARG CA C 120 58.416 58.416 59.069 -0.653 25887 522 1 2 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.202 -0.214 25887 523 1 2 . 1 1 120 120 ARG H H 120 8.523 8.523 8.706 -0.183 25887 524 1 2 . 1 1 121 121 ASP N N 121 115.199 115.199 116.348 -1.149 25887 525 1 2 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.501 0.029 25887 526 1 2 . 1 1 121 121 ASP C C 121 175.593 175.593 175.508 0.085 25887 527 1 2 . 1 1 121 121 ASP CA C 121 54.424 54.424 54.365 0.059 25887 528 1 2 . 1 1 121 121 ASP CB C 121 40.034 40.034 39.986 0.048 25887 529 1 2 . 1 1 121 121 ASP H H 121 8.252 8.252 8.337 -0.085 25887 530 1 2 . 1 1 122 122 SER N N 122 114.383 114.383 113.564 0.819 25887 531 1 2 . 1 1 122 122 SER HA H 122 4.124 4.124 4.445 -0.321 25887 532 1 2 . 1 1 122 122 SER C C 122 173.264 173.264 174.443 -1.179 25887 533 1 2 . 1 1 122 122 SER CA C 122 60.703 60.703 58.752 1.951 25887 534 1 2 . 1 1 122 122 SER CB C 122 62.879 62.879 63.597 -0.718 25887 535 1 2 . 1 1 122 122 SER H H 122 7.612 7.612 7.703 -0.091 25887 536 1 2 . 1 1 123 123 THR N N 123 111.852 111.852 114.677 -2.825 25887 537 1 2 . 1 1 123 123 THR HA H 123 4.519 4.519 4.625 -0.106 25887 538 1 2 . 1 1 123 123 THR C C 123 173.356 173.356 174.216 -0.860 25887 539 1 2 . 1 1 123 123 THR CA C 123 61.888 61.888 61.346 0.542 25887 540 1 2 . 1 1 123 123 THR CB C 123 70.830 70.830 70.373 0.457 25887 541 1 2 . 1 1 123 123 THR H H 123 8.413 8.413 8.418 -0.005 25887 542 1 2 . 1 1 124 124 HIS N N 124 120.615 120.615 119.210 1.405 25887 543 1 2 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.916 0.240 25887 544 1 2 . 1 1 124 124 HIS C C 124 174.177 174.177 174.292 -0.115 25887 545 1 2 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.667 0.333 25887 546 1 2 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.545 1.199 25887 547 1 2 . 1 1 124 124 HIS H H 124 8.630 8.630 7.839 0.791 25887 548 1 2 . 1 1 125 125 CYS N N 125 115.755 115.755 118.501 -2.746 25887 549 1 2 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.230 0.486 25887 550 1 2 . 1 1 125 125 CYS C C 125 174.906 174.906 173.619 1.287 25887 551 1 2 . 1 1 125 125 CYS CA C 125 52.172 52.172 58.170 -5.998 25887 552 1 2 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.451 7.033 25887 553 1 2 . 1 1 125 125 CYS H H 125 9.102 9.102 8.559 0.543 25887 554 1 2 . 1 1 126 126 VAL N N 126 121.353 121.353 122.527 -1.174 25887 555 1 2 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.468 0.731 25887 556 1 2 . 1 1 126 126 VAL C C 126 176.004 176.004 175.142 0.862 25887 557 1 2 . 1 1 126 126 VAL CA C 126 60.555 60.555 61.289 -0.734 25887 558 1 2 . 1 1 126 126 VAL CB C 126 35.605 35.605 34.416 1.189 25887 559 1 2 . 1 1 126 126 VAL H H 126 9.077 9.077 9.055 0.022 25887 560 1 2 . 1 1 127 127 THR N N 127 125.497 125.497 122.755 2.742 25887 561 1 2 . 1 1 127 127 THR HA H 127 5.192 5.192 4.790 0.402 25887 562 1 2 . 1 1 127 127 THR C C 127 173.510 173.510 173.644 -0.134 25887 563 1 2 . 1 1 127 127 THR CA C 127 61.909 61.909 61.673 0.236 25887 564 1 2 . 1 1 127 127 THR CB C 127 71.018 71.018 70.055 0.963 25887 565 1 2 . 1 1 127 127 THR H H 127 9.031 9.031 8.708 0.323 25887 566 1 2 . 1 1 128 128 THR N N 128 121.196 121.196 120.277 0.919 25887 567 1 2 . 1 1 128 128 THR HA H 128 5.500 5.500 5.065 0.435 25887 568 1 2 . 1 1 128 128 THR C C 128 172.228 172.228 173.069 -0.841 25887 569 1 2 . 1 1 128 128 THR CA C 128 59.004 59.004 59.372 -0.368 25887 570 1 2 . 1 1 128 128 THR CB C 128 70.306 70.306 69.061 1.245 25887 571 1 2 . 1 1 128 128 THR H H 128 9.625 9.625 8.358 1.267 25887 572 1 2 . 1 1 129 129 ALA N N 129 124.169 124.169 130.224 -6.055 25887 573 1 2 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.252 0.248 25887 574 1 2 . 1 1 129 129 ALA C C 129 176.424 176.424 176.569 -0.145 25887 575 1 2 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.309 0.187 25887 576 1 2 . 1 1 129 129 ALA CB C 129 21.348 21.348 19.902 1.446 25887 577 1 2 . 1 1 129 129 ALA H H 129 8.539 8.539 8.473 0.066 25887 578 1 2 . 1 1 130 130 THR N N 130 116.687 116.687 114.907 1.780 25887 579 1 2 . 1 1 130 130 THR HA H 130 4.890 4.890 4.745 0.145 25887 580 1 2 . 1 1 130 130 THR C C 130 172.854 172.854 173.279 -0.425 25887 581 1 2 . 1 1 130 130 THR CA C 130 60.678 60.678 59.370 1.308 25887 582 1 2 . 1 1 130 130 THR CB C 130 70.352 70.352 71.242 -0.890 25887 583 1 2 . 1 1 130 130 THR H H 130 8.636 8.636 8.793 -0.157 25887 584 1 2 . 1 1 131 131 ARG N N 131 124.260 124.260 120.690 3.570 25887 585 1 2 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.718 -0.068 25887 586 1 2 . 1 1 131 131 ARG C C 131 175.603 175.603 174.379 1.224 25887 587 1 2 . 1 1 131 131 ARG CA C 131 55.458 55.458 54.672 0.786 25887 588 1 2 . 1 1 131 131 ARG CB C 131 30.755 30.755 32.663 -1.908 25887 589 1 2 . 1 1 131 131 ARG H H 131 8.540 8.540 8.513 0.027 25887 590 1 2 . 1 1 132 132 VAL N N 132 121.349 121.349 120.461 0.888 25887 591 1 2 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.327 -0.095 25887 592 1 2 . 1 1 132 132 VAL C C 132 175.727 175.727 175.743 -0.016 25887 593 1 2 . 1 1 132 132 VAL CA C 132 61.835 61.835 60.856 0.979 25887 594 1 2 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.702 -0.066 25887 595 1 2 . 1 1 132 132 VAL H H 132 8.430 8.430 8.464 -0.034 25887 596 1 2 . 1 1 133 133 LEU N N 133 124.364 124.364 126.202 -1.838 25887 597 1 2 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.234 0.218 25887 598 1 2 . 1 1 133 133 LEU C C 133 176.753 176.753 177.049 -0.296 25887 599 1 2 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.202 -1.454 25887 600 1 2 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.268 -0.395 25887 601 1 2 . 1 1 133 133 LEU H H 133 8.246 8.246 8.302 -0.056 25887 602 1 2 . 1 1 134 134 SER N N 134 114.791 114.791 114.411 0.380 25887 603 1 2 . 1 1 134 134 SER HA H 134 4.490 4.490 4.492 -0.002 25887 604 1 2 . 1 1 134 134 SER C C 134 173.900 173.900 175.718 -1.818 25887 605 1 2 . 1 1 134 134 SER CA C 134 57.970 57.970 58.301 -0.331 25887 606 1 2 . 1 1 134 134 SER CB C 134 63.375 63.375 63.744 -0.369 25887 607 1 2 . 1 1 134 134 SER H H 134 8.078 8.078 7.847 0.231 25887 608 1 2 . 1 1 135 135 ASN N N 135 119.634 119.634 125.854 -6.220 25887 609 1 2 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.539 0.238 25887 610 1 2 . 1 1 135 135 ASN C C 135 175.337 175.337 176.438 -1.101 25887 611 1 2 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.920 -1.850 25887 612 1 2 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.186 0.160 25887 613 1 2 . 1 1 135 135 ASN H H 135 8.287 8.287 8.851 -0.564 25887 614 1 2 . 1 1 136 136 THR N N 136 112.097 112.097 114.156 -2.059 25887 615 1 2 . 1 1 136 136 THR HA H 136 4.311 4.311 4.149 0.162 25887 616 1 2 . 1 1 136 136 THR C C 136 174.280 174.280 174.165 0.115 25887 617 1 2 . 1 1 136 136 THR CA C 136 62.131 62.131 64.285 -2.154 25887 618 1 2 . 1 1 136 136 THR CB C 136 69.106 69.106 69.224 -0.118 25887 619 1 2 . 1 1 136 136 THR H H 136 8.085 8.085 7.981 0.104 25887 620 1 2 . 1 1 137 137 GLU N N 137 120.207 120.207 120.155 0.052 25887 621 1 2 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.584 -0.220 25887 622 1 2 . 1 1 137 137 GLU C C 137 175.296 175.296 174.809 0.487 25887 623 1 2 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.867 -0.113 25887 624 1 2 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.370 -3.180 25887 625 1 2 . 1 1 137 137 GLU H H 137 8.035 8.035 7.569 0.466 25887 626 1 2 . 1 1 138 138 ASP N N 138 119.742 119.742 124.010 -4.268 25887 627 1 2 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.660 -0.055 25887 628 1 2 . 1 1 138 138 ASP C C 138 174.978 174.978 176.919 -1.941 25887 629 1 2 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.971 -1.091 25887 630 1 2 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.442 -1.207 25887 631 1 2 . 1 1 138 138 ASP H H 138 8.097 8.097 8.581 -0.484 25887 632 1 2 . 1 1 139 139 LEU N N 139 121.008 121.008 121.590 -0.582 25887 633 1 2 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.566 0.211 25887 634 1 2 . 1 1 139 139 LEU CA C 139 52.011 52.011 53.058 -1.047 25887 635 1 2 . 1 1 139 139 LEU CB C 139 42.693 42.693 41.787 0.906 25887 636 1 2 . 1 1 139 139 LEU H H 139 8.021 8.021 8.218 -0.197 25887 637 1 2 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.438 0.196 25887 638 1 2 . 1 1 140 140 PRO C C 140 175.419 175.419 175.680 -0.261 25887 639 1 2 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.324 -0.261 25887 640 1 2 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.321 -0.431 25887 641 1 2 . 1 1 141 141 LEU N N 141 123.715 123.715 123.482 0.233 25887 642 1 2 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.382 -0.206 25887 643 1 2 . 1 1 141 141 LEU C C 141 175.870 175.870 175.312 0.558 25887 644 1 2 . 1 1 141 141 LEU CA C 141 55.190 55.190 55.081 0.109 25887 645 1 2 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.327 -1.649 25887 646 1 2 . 1 1 141 141 LEU H H 141 8.569 8.569 8.081 0.488 25887 647 1 2 . 1 1 142 142 VAL N N 142 131.573 131.573 125.568 6.005 25887 648 1 2 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.816 0.334 25887 649 1 2 . 1 1 142 142 VAL C C 142 174.198 174.198 174.953 -0.755 25887 650 1 2 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.842 -0.259 25887 651 1 2 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.854 -0.624 25887 652 1 2 . 1 1 142 142 VAL H H 142 9.005 9.005 8.191 0.814 25887 653 1 2 . 1 1 143 143 THR N N 143 121.430 121.430 124.103 -2.673 25887 654 1 2 . 1 1 143 143 THR HA H 143 4.967 4.967 4.812 0.155 25887 655 1 2 . 1 1 143 143 THR C C 143 172.546 172.546 173.590 -1.044 25887 656 1 2 . 1 1 143 143 THR CA C 143 61.343 61.343 61.751 -0.408 25887 657 1 2 . 1 1 143 143 THR CB C 143 69.917 69.917 69.422 0.495 25887 658 1 2 . 1 1 143 143 THR H H 143 8.744 8.744 8.345 0.399 25887 659 1 2 . 1 1 144 144 LYS N N 144 126.310 126.310 127.733 -1.423 25887 660 1 2 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.477 0.112 25887 661 1 2 . 1 1 144 144 LYS C C 144 175.839 175.839 176.022 -0.183 25887 662 1 2 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.047 -0.380 25887 663 1 2 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.252 0.325 25887 664 1 2 . 1 1 144 144 LYS H H 144 9.397 9.397 8.206 1.191 25887 665 1 2 . 1 1 145 145 MET N N 145 117.942 117.942 118.915 -0.973 25887 666 1 2 . 1 1 145 145 MET HA H 145 5.058 5.058 4.978 0.080 25887 667 1 2 . 1 1 145 145 MET C C 145 174.454 174.454 173.327 1.127 25887 668 1 2 . 1 1 145 145 MET CA C 145 54.843 54.843 54.471 0.372 25887 669 1 2 . 1 1 145 145 MET CB C 145 35.827 35.827 35.468 0.359 25887 670 1 2 . 1 1 145 145 MET H H 145 8.729 8.729 8.529 0.200 25887 671 1 2 . 1 1 146 146 CYS N N 146 119.031 119.031 118.026 1.005 25887 672 1 2 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.454 0.054 25887 673 1 2 . 1 1 146 146 CYS C C 146 175.029 175.029 174.118 0.911 25887 674 1 2 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.700 -1.030 25887 675 1 2 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.302 15.996 25887 676 1 2 . 1 1 146 146 CYS H H 146 8.642 8.642 8.521 0.121 25887 677 1 2 . 1 1 147 147 HIS N N 147 120.858 120.858 119.709 1.149 25887 678 1 2 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.781 -0.138 25887 679 1 2 . 1 1 147 147 HIS C C 147 173.223 173.223 174.505 -1.282 25887 680 1 2 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.997 1.604 25887 681 1 2 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.530 0.290 25887 682 1 2 . 1 1 147 147 HIS H H 147 9.423 9.423 8.458 0.965 25887 683 1 2 . 1 1 148 148 ILE N N 148 125.370 125.370 122.287 3.083 25887 684 1 2 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.159 0.211 25887 685 1 2 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.825 0.713 25887 686 1 2 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.012 0.084 25887 687 1 2 . 1 1 148 148 ILE H H 148 8.374 8.374 8.258 0.116 25887 688 1 2 . 1 1 149 149 GLY N N 149 118.093 118.093 109.621 8.472 25887 689 1 2 . 1 1 149 149 GLY C C 149 170.853 170.853 172.293 -1.440 25887 690 1 2 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.375 -1.834 25887 691 1 2 . 1 1 149 149 GLY H H 149 8.367 8.367 7.653 0.714 25887 692 1 2 . 1 1 150 150 CYS N N 150 118.529 118.529 120.948 -2.419 25887 693 1 2 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.893 -0.075 25887 694 1 2 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.859 -6.594 25887 695 1 2 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.564 12.188 25887 696 1 2 . 1 1 150 150 CYS H H 150 8.187 8.187 8.219 -0.032 25887 697 1 2 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.533 -0.189 25887 698 1 2 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.674 -0.246 25887 699 1 2 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.421 -0.749 25887 700 1 2 . 1 1 152 152 ASP N N 152 117.148 117.148 119.272 -2.124 25887 701 1 2 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.757 -0.117 25887 702 1 2 . 1 1 152 152 ASP C C 152 175.624 175.624 175.056 0.568 25887 703 1 2 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.664 -2.254 25887 704 1 2 . 1 1 152 152 ASP CB C 152 41.691 41.691 42.073 -0.382 25887 705 1 2 . 1 1 152 152 ASP H H 152 7.668 7.668 8.365 -0.697 25887 706 1 2 . 1 1 153 153 ILE N N 153 119.719 119.719 121.688 -1.969 25887 707 1 2 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.486 -0.573 25887 708 1 2 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.341 6.655 25887 709 1 2 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.986 -2.992 25887 710 1 2 . 1 1 153 153 ILE H H 153 8.327 8.327 8.390 -0.063 25887 711 1 2 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.451 -0.087 25887 712 1 2 . 1 1 154 154 PRO C C 154 178.333 178.333 177.828 0.505 25887 713 1 2 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.516 0.487 25887 714 1 2 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.931 -1.155 25887 715 1 2 . 1 1 155 155 SER N N 155 112.667 112.667 113.585 -0.918 25887 716 1 2 . 1 1 155 155 SER HA H 155 4.303 4.303 4.265 0.038 25887 717 1 2 . 1 1 155 155 SER C C 155 175.450 175.450 175.837 -0.387 25887 718 1 2 . 1 1 155 155 SER CA C 155 60.312 60.312 60.126 0.186 25887 719 1 2 . 1 1 155 155 SER CB C 155 62.816 62.816 62.715 0.101 25887 720 1 2 . 1 1 155 155 SER H H 155 7.883 7.883 8.100 -0.217 25887 721 1 2 . 1 1 156 156 LEU N N 156 120.903 120.903 120.200 0.703 25887 722 1 2 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.208 0.097 25887 723 1 2 . 1 1 156 156 LEU C C 156 177.974 177.974 177.371 0.603 25887 724 1 2 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.874 -0.358 25887 725 1 2 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.294 -0.214 25887 726 1 2 . 1 1 156 156 LEU H H 156 7.770 7.770 7.493 0.277 25887 727 1 2 . 1 1 157 157 GLY N N 157 105.004 105.004 105.307 -0.303 25887 728 1 2 . 1 1 157 157 GLY C C 157 174.321 174.321 174.024 0.297 25887 729 1 2 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.045 1.142 25887 730 1 2 . 1 1 157 157 GLY H H 157 7.666 7.666 7.436 0.230 25887 731 1 2 . 1 1 158 158 LEU N N 158 119.534 119.534 117.634 1.900 25887 732 1 2 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.714 -0.182 25887 733 1 2 . 1 1 158 158 LEU C C 158 176.712 176.712 177.232 -0.520 25887 734 1 2 . 1 1 158 158 LEU CA C 158 53.760 53.760 54.569 -0.809 25887 735 1 2 . 1 1 158 158 LEU CB C 158 42.761 42.761 43.115 -0.354 25887 736 1 2 . 1 1 158 158 LEU H H 158 8.203 8.203 8.490 -0.287 25887 737 1 2 . 1 1 159 159 GLY N N 159 108.700 108.700 107.386 1.314 25887 738 1 2 . 1 1 159 159 GLY CA C 159 44.416 44.416 44.677 -0.261 25887 739 1 2 . 1 1 159 159 GLY H H 159 8.055 8.055 7.777 0.278 25887 740 1 2 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.309 0.067 25887 741 1 2 . 1 1 160 160 PRO C C 160 177.112 177.112 176.596 0.516 25887 742 1 2 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.659 -0.348 25887 743 1 2 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.167 -0.605 25887 744 1 2 . 1 1 161 161 TYR N N 161 119.287 119.287 120.604 -1.317 25887 745 1 2 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.481 0.337 25887 746 1 2 . 1 1 161 161 TYR CA C 161 56.419 56.419 58.546 -2.127 25887 747 1 2 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.684 -0.723 25887 748 1 2 . 1 1 161 161 TYR H H 161 8.130 8.130 7.934 0.196 25887 749 1 2 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.591 0.142 25887 750 1 2 . 1 1 162 162 VAL CA C 162 60.346 60.346 59.865 0.481 25887 751 1 2 . 1 1 162 162 VAL CB C 162 38.408 38.408 34.771 3.637 25887 752 1 2 . 1 1 163 163 SER N N 163 119.428 119.428 117.807 1.621 25887 753 1 2 . 1 1 163 163 SER HA H 163 4.788 4.788 4.805 -0.017 25887 754 1 2 . 1 1 163 163 SER C C 163 173.141 173.141 173.213 -0.072 25887 755 1 2 . 1 1 163 163 SER CA C 163 56.672 56.672 57.926 -1.254 25887 756 1 2 . 1 1 163 163 SER CB C 163 64.650 64.650 63.274 1.376 25887 757 1 2 . 1 1 163 163 SER H H 163 8.641 8.641 8.457 0.184 25887 758 1 2 . 1 1 164 164 ILE N N 164 123.448 123.448 126.088 -2.640 25887 759 1 2 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.589 0.157 25887 760 1 2 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.394 0.235 25887 761 1 2 . 1 1 164 164 ILE CB C 164 41.311 41.311 39.333 1.978 25887 762 1 2 . 1 1 164 164 ILE H H 164 8.496 8.496 8.754 -0.258 25887 763 1 2 . 1 1 165 165 ALA N N 165 129.783 129.783 131.388 -1.605 25887 764 1 2 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.797 0.073 25887 765 1 2 . 1 1 165 165 ALA C C 165 176.219 176.219 175.556 0.663 25887 766 1 2 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.866 -0.086 25887 767 1 2 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.752 0.596 25887 768 1 2 . 1 1 165 165 ALA H H 165 8.941 8.941 8.634 0.307 25887 769 1 2 . 1 1 166 166 CYS N N 166 119.842 119.842 120.973 -1.131 25887 770 1 2 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.637 -0.085 25887 771 1 2 . 1 1 166 166 CYS C C 166 172.289 172.289 175.101 -2.812 25887 772 1 2 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.082 -3.963 25887 773 1 2 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.587 19.238 25887 774 1 2 . 1 1 166 166 CYS H H 166 9.049 9.049 8.508 0.541 25887 775 1 2 . 1 1 167 167 CYS N N 167 118.569 118.569 119.483 -0.914 25887 776 1 2 . 1 1 167 167 CYS HA H 167 5.236 5.236 5.035 0.201 25887 777 1 2 . 1 1 167 167 CYS C C 167 173.562 173.562 173.449 0.113 25887 778 1 2 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.981 -2.840 25887 779 1 2 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.494 14.969 25887 780 1 2 . 1 1 167 167 CYS H H 167 9.297 9.297 9.059 0.238 25887 781 1 2 . 1 1 168 168 GLN N N 168 118.916 118.916 120.542 -1.626 25887 782 1 2 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.247 0.583 25887 783 1 2 . 1 1 168 168 GLN C C 168 174.362 174.362 174.377 -0.015 25887 784 1 2 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.779 0.207 25887 785 1 2 . 1 1 168 168 GLN CB C 168 31.688 31.688 26.691 4.997 25887 786 1 2 . 1 1 168 168 GLN H H 168 9.105 9.105 8.692 0.413 25887 787 1 2 . 1 1 169 169 THR N N 169 110.926 110.926 111.167 -0.241 25887 788 1 2 . 1 1 169 169 THR HA H 169 4.813 4.813 4.497 0.316 25887 789 1 2 . 1 1 169 169 THR C C 169 173.859 173.859 173.940 -0.081 25887 790 1 2 . 1 1 169 169 THR CA C 169 60.038 60.038 60.148 -0.110 25887 791 1 2 . 1 1 169 169 THR CB C 169 71.377 71.377 71.366 0.011 25887 792 1 2 . 1 1 169 169 THR H H 169 7.540 7.540 7.471 0.069 25887 793 1 2 . 1 1 170 170 SER N N 170 117.386 117.386 120.676 -3.290 25887 794 1 2 . 1 1 170 170 SER HA H 170 4.850 4.850 4.300 0.550 25887 795 1 2 . 1 1 170 170 SER C C 170 175.757 175.757 175.722 0.035 25887 796 1 2 . 1 1 170 170 SER CA C 170 60.987 60.987 58.811 2.176 25887 797 1 2 . 1 1 170 170 SER CB C 170 63.104 63.104 63.649 -0.545 25887 798 1 2 . 1 1 170 170 SER H H 170 8.814 8.814 8.618 0.196 25887 799 1 2 . 1 1 171 171 LEU N N 171 116.724 116.724 120.888 -4.164 25887 800 1 2 . 1 1 171 171 LEU HA H 171 3.660 3.660 4.006 -0.346 25887 801 1 2 . 1 1 171 171 LEU C C 171 176.055 176.055 177.523 -1.468 25887 802 1 2 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.521 0.504 25887 803 1 2 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.907 -1.619 25887 804 1 2 . 1 1 171 171 LEU H H 171 9.570 9.570 8.539 1.031 25887 805 1 2 . 1 1 172 172 CYS N N 172 113.842 113.842 114.180 -0.338 25887 806 1 2 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.557 0.057 25887 807 1 2 . 1 1 172 172 CYS C C 172 174.424 174.424 175.294 -0.870 25887 808 1 2 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.665 0.145 25887 809 1 2 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.508 20.063 25887 810 1 2 . 1 1 172 172 CYS H H 172 8.221 8.221 8.004 0.217 25887 811 1 2 . 1 1 173 173 ASN N N 173 121.019 121.019 118.815 2.204 25887 812 1 2 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.839 -0.082 25887 813 1 2 . 1 1 173 173 ASN C C 173 174.239 174.239 175.243 -1.004 25887 814 1 2 . 1 1 173 173 ASN CA C 173 51.765 51.765 54.206 -2.441 25887 815 1 2 . 1 1 173 173 ASN CB C 173 35.401 35.401 39.907 -4.506 25887 816 1 2 . 1 1 173 173 ASN H H 173 8.458 8.458 8.512 -0.054 25887 817 1 2 . 1 1 174 174 HIS N N 174 115.973 115.973 118.363 -2.390 25887 818 1 2 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.726 -0.414 25887 819 1 2 . 1 1 174 174 HIS C C 174 173.213 173.213 174.494 -1.281 25887 820 1 2 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.265 -1.421 25887 821 1 2 . 1 1 174 174 HIS CB C 174 29.110 29.110 32.606 -3.496 25887 822 1 2 . 1 1 174 174 HIS H H 174 7.170 7.170 7.668 -0.498 25887 823 1 3 . 1 1 101 101 ILE N N 101 123.543 123.543 119.137 4.406 25887 824 1 3 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.967 -0.359 25887 825 1 3 . 1 1 101 101 ILE C C 101 172.659 172.659 173.658 -0.999 25887 826 1 3 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.959 0.695 25887 827 1 3 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.290 0.011 25887 828 1 3 . 1 1 101 101 ILE H H 101 8.681 8.681 7.944 0.737 25887 829 1 3 . 1 1 102 102 TRP N N 102 123.817 123.817 120.478 3.339 25887 830 1 3 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.260 -0.162 25887 831 1 3 . 1 1 102 102 TRP C C 102 175.757 175.757 175.843 -0.086 25887 832 1 3 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.053 -0.274 25887 833 1 3 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.070 0.136 25887 834 1 3 . 1 1 102 102 TRP H H 102 8.008 8.008 8.475 -0.467 25887 835 1 3 . 1 1 103 103 CYS N N 103 116.424 116.424 120.576 -4.152 25887 836 1 3 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.849 0.246 25887 837 1 3 . 1 1 103 103 CYS C C 103 175.070 175.070 173.199 1.871 25887 838 1 3 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.570 -5.559 25887 839 1 3 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.932 10.012 25887 840 1 3 . 1 1 103 103 CYS H H 103 8.481 8.481 8.769 -0.288 25887 841 1 3 . 1 1 104 104 HIS N N 104 123.159 123.159 119.031 4.128 25887 842 1 3 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.027 -0.431 25887 843 1 3 . 1 1 104 104 HIS C C 104 176.075 176.075 175.374 0.701 25887 844 1 3 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.652 3.081 25887 845 1 3 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.045 0.939 25887 846 1 3 . 1 1 104 104 HIS H H 104 9.364 9.364 8.668 0.696 25887 847 1 3 . 1 1 105 105 GLN N N 105 123.570 123.570 122.422 1.148 25887 848 1 3 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.806 0.172 25887 849 1 3 . 1 1 105 105 GLN C C 105 173.623 173.623 174.732 -1.109 25887 850 1 3 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.023 -0.654 25887 851 1 3 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.797 0.985 25887 852 1 3 . 1 1 105 105 GLN H H 105 8.108 8.108 8.206 -0.098 25887 853 1 3 . 1 1 106 106 CYS N N 106 118.604 118.604 119.882 -1.278 25887 854 1 3 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.405 0.546 25887 855 1 3 . 1 1 106 106 CYS C C 106 171.120 171.120 175.410 -4.290 25887 856 1 3 . 1 1 106 106 CYS CA C 106 53.907 53.907 59.438 -5.531 25887 857 1 3 . 1 1 106 106 CYS CB C 106 40.639 40.639 27.441 13.198 25887 858 1 3 . 1 1 106 106 CYS H H 106 8.458 8.458 8.431 0.027 25887 859 1 3 . 1 1 107 107 THR N N 107 113.541 113.541 123.624 -10.083 25887 860 1 3 . 1 1 107 107 THR HA H 107 5.500 5.500 4.391 1.109 25887 861 1 3 . 1 1 107 107 THR C C 107 173.592 173.592 174.516 -0.924 25887 862 1 3 . 1 1 107 107 THR CA C 107 60.161 60.161 62.193 -2.032 25887 863 1 3 . 1 1 107 107 THR CB C 107 71.879 71.879 68.547 3.332 25887 864 1 3 . 1 1 107 107 THR H H 107 8.400 8.400 8.705 -0.305 25887 865 1 3 . 1 1 108 108 GLY N N 108 110.549 110.549 110.612 -0.063 25887 866 1 3 . 1 1 108 108 GLY C C 108 171.694 171.694 172.360 -0.666 25887 867 1 3 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.375 1.073 25887 868 1 3 . 1 1 108 108 GLY H H 108 8.817 8.817 7.656 1.161 25887 869 1 3 . 1 1 109 109 PHE N N 109 120.830 120.830 116.514 4.316 25887 870 1 3 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.590 0.534 25887 871 1 3 . 1 1 109 109 PHE C C 109 177.225 177.225 176.777 0.448 25887 872 1 3 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.240 1.198 25887 873 1 3 . 1 1 109 109 PHE CB C 109 38.408 38.408 42.039 -3.631 25887 874 1 3 . 1 1 109 109 PHE H H 109 8.924 8.924 7.760 1.164 25887 875 1 3 . 1 1 110 110 GLY N N 110 113.069 113.069 109.246 3.823 25887 876 1 3 . 1 1 110 110 GLY C C 110 172.546 172.546 175.116 -2.570 25887 877 1 3 . 1 1 110 110 GLY CA C 110 45.708 45.708 46.068 -0.360 25887 878 1 3 . 1 1 110 110 GLY H H 110 9.442 9.442 8.868 0.574 25887 879 1 3 . 1 1 111 111 GLY N N 111 106.335 106.335 104.909 1.426 25887 880 1 3 . 1 1 111 111 GLY C C 111 171.664 171.664 174.703 -3.039 25887 881 1 3 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.641 -0.385 25887 882 1 3 . 1 1 111 111 GLY H H 111 7.095 7.095 8.003 -0.908 25887 883 1 3 . 1 1 112 112 CYS N N 112 111.804 111.804 118.847 -7.043 25887 884 1 3 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.215 0.541 25887 885 1 3 . 1 1 112 112 CYS C C 112 171.027 171.027 173.775 -2.748 25887 886 1 3 . 1 1 112 112 CYS CA C 112 56.123 56.123 59.292 -3.169 25887 887 1 3 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.104 14.686 25887 888 1 3 . 1 1 112 112 CYS H H 112 8.477 8.477 7.899 0.578 25887 889 1 3 . 1 1 113 113 SER N N 113 116.083 116.083 121.935 -5.852 25887 890 1 3 . 1 1 113 113 SER HA H 113 4.603 4.603 4.273 0.330 25887 891 1 3 . 1 1 113 113 SER C C 113 174.536 174.536 172.559 1.977 25887 892 1 3 . 1 1 113 113 SER CA C 113 56.493 56.493 57.203 -0.709 25887 893 1 3 . 1 1 113 113 SER CB C 113 65.160 65.160 65.210 -0.049 25887 894 1 3 . 1 1 113 113 SER H H 113 8.693 8.693 8.170 0.523 25887 895 1 3 . 1 1 114 114 HIS N N 114 126.668 126.668 119.038 7.630 25887 896 1 3 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.505 0.063 25887 897 1 3 . 1 1 114 114 HIS C C 114 172.515 172.515 174.156 -1.641 25887 898 1 3 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.491 0.396 25887 899 1 3 . 1 1 114 114 HIS CB C 114 27.276 27.276 31.951 -4.676 25887 900 1 3 . 1 1 114 114 HIS H H 114 11.587 11.587 7.838 3.749 25887 901 1 3 . 1 1 115 115 GLY N N 115 119.128 119.128 114.506 4.622 25887 902 1 3 . 1 1 115 115 GLY C C 115 173.018 173.018 173.390 -0.372 25887 903 1 3 . 1 1 115 115 GLY CA C 115 46.457 46.457 46.050 0.407 25887 904 1 3 . 1 1 115 115 GLY H H 115 9.361 9.361 8.563 0.798 25887 905 1 3 . 1 1 116 116 SER N N 116 118.656 118.656 119.622 -0.966 25887 906 1 3 . 1 1 116 116 SER HA H 116 4.451 4.451 4.901 -0.450 25887 907 1 3 . 1 1 116 116 SER C C 116 171.848 171.848 172.932 -1.084 25887 908 1 3 . 1 1 116 116 SER CA C 116 57.256 57.256 56.231 1.025 25887 909 1 3 . 1 1 116 116 SER CB C 116 64.697 64.697 65.463 -0.766 25887 910 1 3 . 1 1 116 116 SER H H 116 8.151 8.151 9.042 -0.891 25887 911 1 3 . 1 1 117 117 ARG N N 117 124.682 124.682 121.616 3.066 25887 912 1 3 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.513 -0.559 25887 913 1 3 . 1 1 117 117 ARG C C 117 176.671 176.671 175.837 0.834 25887 914 1 3 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.470 1.285 25887 915 1 3 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.414 0.703 25887 916 1 3 . 1 1 117 117 ARG H H 117 7.629 7.629 8.059 -0.430 25887 917 1 3 . 1 1 118 118 CYS N N 118 122.932 122.932 123.565 -0.633 25887 918 1 3 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.205 0.669 25887 919 1 3 . 1 1 118 118 CYS C C 118 174.577 174.577 174.765 -0.188 25887 920 1 3 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.324 -6.327 25887 921 1 3 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.786 11.511 25887 922 1 3 . 1 1 118 118 CYS H H 118 7.852 7.852 7.779 0.073 25887 923 1 3 . 1 1 119 119 LEU N N 119 120.027 120.027 121.145 -1.118 25887 924 1 3 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.434 -0.133 25887 925 1 3 . 1 1 119 119 LEU C C 119 178.394 178.394 178.477 -0.083 25887 926 1 3 . 1 1 119 119 LEU CA C 119 55.216 55.216 53.413 1.803 25887 927 1 3 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.958 -1.267 25887 928 1 3 . 1 1 119 119 LEU H H 119 7.980 7.980 8.336 -0.356 25887 929 1 3 . 1 1 120 120 ARG N N 120 120.159 120.159 122.914 -2.755 25887 930 1 3 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.885 0.153 25887 931 1 3 . 1 1 120 120 ARG C C 120 175.624 175.624 176.408 -0.784 25887 932 1 3 . 1 1 120 120 ARG CA C 120 58.416 58.416 59.182 -0.766 25887 933 1 3 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.091 -0.103 25887 934 1 3 . 1 1 120 120 ARG H H 120 8.523 8.523 8.709 -0.186 25887 935 1 3 . 1 1 121 121 ASP N N 121 115.199 115.199 116.238 -1.039 25887 936 1 3 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.436 0.094 25887 937 1 3 . 1 1 121 121 ASP C C 121 175.593 175.593 175.739 -0.146 25887 938 1 3 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.370 -0.946 25887 939 1 3 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.507 -0.473 25887 940 1 3 . 1 1 121 121 ASP H H 121 8.252 8.252 8.353 -0.101 25887 941 1 3 . 1 1 122 122 SER N N 122 114.383 114.383 113.771 0.612 25887 942 1 3 . 1 1 122 122 SER HA H 122 4.124 4.124 4.286 -0.162 25887 943 1 3 . 1 1 122 122 SER C C 122 173.264 173.264 174.008 -0.744 25887 944 1 3 . 1 1 122 122 SER CA C 122 60.703 60.703 58.374 2.329 25887 945 1 3 . 1 1 122 122 SER CB C 122 62.879 62.879 62.996 -0.117 25887 946 1 3 . 1 1 122 122 SER H H 122 7.612 7.612 7.756 -0.144 25887 947 1 3 . 1 1 123 123 THR N N 123 111.852 111.852 120.064 -8.212 25887 948 1 3 . 1 1 123 123 THR HA H 123 4.519 4.519 4.502 0.017 25887 949 1 3 . 1 1 123 123 THR C C 123 173.356 173.356 173.533 -0.177 25887 950 1 3 . 1 1 123 123 THR CA C 123 61.888 61.888 61.785 0.103 25887 951 1 3 . 1 1 123 123 THR CB C 123 70.830 70.830 69.525 1.306 25887 952 1 3 . 1 1 123 123 THR H H 123 8.413 8.413 8.177 0.236 25887 953 1 3 . 1 1 124 124 HIS N N 124 120.615 120.615 117.862 2.753 25887 954 1 3 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.947 0.209 25887 955 1 3 . 1 1 124 124 HIS C C 124 174.177 174.177 173.658 0.519 25887 956 1 3 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.307 1.693 25887 957 1 3 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.036 1.708 25887 958 1 3 . 1 1 124 124 HIS H H 124 8.630 8.630 7.538 1.092 25887 959 1 3 . 1 1 125 125 CYS N N 125 115.755 115.755 117.978 -2.223 25887 960 1 3 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.264 0.452 25887 961 1 3 . 1 1 125 125 CYS C C 125 174.906 174.906 173.926 0.980 25887 962 1 3 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.953 -5.781 25887 963 1 3 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.411 7.073 25887 964 1 3 . 1 1 125 125 CYS H H 125 9.102 9.102 8.563 0.539 25887 965 1 3 . 1 1 126 126 VAL N N 126 121.353 121.353 119.659 1.694 25887 966 1 3 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.441 0.758 25887 967 1 3 . 1 1 126 126 VAL C C 126 176.004 176.004 174.859 1.145 25887 968 1 3 . 1 1 126 126 VAL CA C 126 60.555 60.555 61.409 -0.854 25887 969 1 3 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.766 -0.161 25887 970 1 3 . 1 1 126 126 VAL H H 126 9.077 9.077 9.131 -0.054 25887 971 1 3 . 1 1 127 127 THR N N 127 125.497 125.497 122.396 3.101 25887 972 1 3 . 1 1 127 127 THR HA H 127 5.192 5.192 4.840 0.352 25887 973 1 3 . 1 1 127 127 THR C C 127 173.510 173.510 173.613 -0.103 25887 974 1 3 . 1 1 127 127 THR CA C 127 61.909 61.909 61.649 0.260 25887 975 1 3 . 1 1 127 127 THR CB C 127 71.018 71.018 69.662 1.356 25887 976 1 3 . 1 1 127 127 THR H H 127 9.031 9.031 8.772 0.259 25887 977 1 3 . 1 1 128 128 THR N N 128 121.196 121.196 118.596 2.600 25887 978 1 3 . 1 1 128 128 THR HA H 128 5.500 5.500 5.506 -0.006 25887 979 1 3 . 1 1 128 128 THR C C 128 172.228 172.228 172.697 -0.469 25887 980 1 3 . 1 1 128 128 THR CA C 128 59.004 59.004 59.268 -0.264 25887 981 1 3 . 1 1 128 128 THR CB C 128 70.306 70.306 71.707 -1.401 25887 982 1 3 . 1 1 128 128 THR H H 128 9.625 9.625 8.693 0.932 25887 983 1 3 . 1 1 129 129 ALA N N 129 124.169 124.169 125.390 -1.221 25887 984 1 3 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.134 0.366 25887 985 1 3 . 1 1 129 129 ALA C C 129 176.424 176.424 175.571 0.853 25887 986 1 3 . 1 1 129 129 ALA CA C 129 50.495 50.495 51.472 -0.977 25887 987 1 3 . 1 1 129 129 ALA CB C 129 21.348 21.348 22.404 -1.056 25887 988 1 3 . 1 1 129 129 ALA H H 129 8.539 8.539 8.456 0.083 25887 989 1 3 . 1 1 130 130 THR N N 130 116.687 116.687 119.821 -3.134 25887 990 1 3 . 1 1 130 130 THR HA H 130 4.890 4.890 4.565 0.325 25887 991 1 3 . 1 1 130 130 THR C C 130 172.854 172.854 174.034 -1.180 25887 992 1 3 . 1 1 130 130 THR CA C 130 60.678 60.678 61.280 -0.602 25887 993 1 3 . 1 1 130 130 THR CB C 130 70.352 70.352 69.873 0.479 25887 994 1 3 . 1 1 130 130 THR H H 130 8.636 8.636 8.579 0.057 25887 995 1 3 . 1 1 131 131 ARG N N 131 124.260 124.260 128.934 -4.674 25887 996 1 3 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.390 0.260 25887 997 1 3 . 1 1 131 131 ARG C C 131 175.603 175.603 175.422 0.181 25887 998 1 3 . 1 1 131 131 ARG CA C 131 55.458 55.458 56.767 -1.309 25887 999 1 3 . 1 1 131 131 ARG CB C 131 30.755 30.755 30.588 0.167 25887 1000 1 3 . 1 1 131 131 ARG H H 131 8.540 8.540 8.700 -0.160 25887 1001 1 3 . 1 1 132 132 VAL N N 132 121.349 121.349 121.619 -0.270 25887 1002 1 3 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.550 -0.318 25887 1003 1 3 . 1 1 132 132 VAL C C 132 175.727 175.727 175.890 -0.163 25887 1004 1 3 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.568 0.267 25887 1005 1 3 . 1 1 132 132 VAL CB C 132 32.636 32.636 33.238 -0.602 25887 1006 1 3 . 1 1 132 132 VAL H H 132 8.430 8.430 8.198 0.232 25887 1007 1 3 . 1 1 133 133 LEU N N 133 124.364 124.364 123.207 1.157 25887 1008 1 3 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.237 0.215 25887 1009 1 3 . 1 1 133 133 LEU C C 133 176.753 176.753 176.772 -0.019 25887 1010 1 3 . 1 1 133 133 LEU CA C 133 54.748 54.748 57.131 -2.383 25887 1011 1 3 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.572 0.301 25887 1012 1 3 . 1 1 133 133 LEU H H 133 8.246 8.246 8.349 -0.103 25887 1013 1 3 . 1 1 134 134 SER N N 134 114.791 114.791 113.106 1.685 25887 1014 1 3 . 1 1 134 134 SER HA H 134 4.490 4.490 4.332 0.158 25887 1015 1 3 . 1 1 134 134 SER C C 134 173.900 173.900 175.392 -1.492 25887 1016 1 3 . 1 1 134 134 SER CA C 134 57.970 57.970 58.799 -0.829 25887 1017 1 3 . 1 1 134 134 SER CB C 134 63.375 63.375 64.027 -0.652 25887 1018 1 3 . 1 1 134 134 SER H H 134 8.078 8.078 7.706 0.372 25887 1019 1 3 . 1 1 135 135 ASN N N 135 119.634 119.634 120.096 -0.462 25887 1020 1 3 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.497 0.280 25887 1021 1 3 . 1 1 135 135 ASN C C 135 175.337 175.337 174.213 1.124 25887 1022 1 3 . 1 1 135 135 ASN CA C 135 53.070 53.070 53.734 -0.664 25887 1023 1 3 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.151 0.195 25887 1024 1 3 . 1 1 135 135 ASN H H 135 8.287 8.287 8.712 -0.425 25887 1025 1 3 . 1 1 136 136 THR N N 136 112.097 112.097 105.172 6.925 25887 1026 1 3 . 1 1 136 136 THR HA H 136 4.311 4.311 3.967 0.344 25887 1027 1 3 . 1 1 136 136 THR C C 136 174.280 174.280 173.422 0.858 25887 1028 1 3 . 1 1 136 136 THR CA C 136 62.131 62.131 63.658 -1.527 25887 1029 1 3 . 1 1 136 136 THR CB C 136 69.106 69.106 68.204 0.902 25887 1030 1 3 . 1 1 136 136 THR H H 136 8.085 8.085 8.094 -0.009 25887 1031 1 3 . 1 1 137 137 GLU N N 137 120.207 120.207 119.155 1.052 25887 1032 1 3 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.460 -0.096 25887 1033 1 3 . 1 1 137 137 GLU C C 137 175.296 175.296 174.541 0.755 25887 1034 1 3 . 1 1 137 137 GLU CA C 137 55.754 55.754 54.490 1.264 25887 1035 1 3 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.602 -3.413 25887 1036 1 3 . 1 1 137 137 GLU H H 137 8.035 8.035 7.707 0.328 25887 1037 1 3 . 1 1 138 138 ASP N N 138 119.742 119.742 119.537 0.205 25887 1038 1 3 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.656 -0.051 25887 1039 1 3 . 1 1 138 138 ASP C C 138 174.978 174.978 175.614 -0.636 25887 1040 1 3 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.619 -0.739 25887 1041 1 3 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.035 -0.799 25887 1042 1 3 . 1 1 138 138 ASP H H 138 8.097 8.097 8.534 -0.437 25887 1043 1 3 . 1 1 139 139 LEU N N 139 121.008 121.008 116.127 4.881 25887 1044 1 3 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.875 -0.098 25887 1045 1 3 . 1 1 139 139 LEU CA C 139 52.011 52.011 51.083 0.928 25887 1046 1 3 . 1 1 139 139 LEU CB C 139 42.693 42.693 43.038 -0.345 25887 1047 1 3 . 1 1 139 139 LEU H H 139 8.021 8.021 7.329 0.692 25887 1048 1 3 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.627 0.007 25887 1049 1 3 . 1 1 140 140 PRO C C 140 175.419 175.419 175.728 -0.309 25887 1050 1 3 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.272 -0.209 25887 1051 1 3 . 1 1 140 140 PRO CB C 140 31.890 31.890 33.087 -1.197 25887 1052 1 3 . 1 1 141 141 LEU N N 141 123.715 123.715 120.489 3.226 25887 1053 1 3 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.739 -0.563 25887 1054 1 3 . 1 1 141 141 LEU C C 141 175.870 175.870 174.978 0.892 25887 1055 1 3 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.863 1.327 25887 1056 1 3 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.398 -1.720 25887 1057 1 3 . 1 1 141 141 LEU H H 141 8.569 8.569 7.840 0.729 25887 1058 1 3 . 1 1 142 142 VAL N N 142 131.573 131.573 126.219 5.354 25887 1059 1 3 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.754 0.396 25887 1060 1 3 . 1 1 142 142 VAL C C 142 174.198 174.198 175.056 -0.858 25887 1061 1 3 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.951 -0.368 25887 1062 1 3 . 1 1 142 142 VAL CB C 142 33.230 33.230 34.425 -1.196 25887 1063 1 3 . 1 1 142 142 VAL H H 142 9.005 9.005 8.350 0.655 25887 1064 1 3 . 1 1 143 143 THR N N 143 121.430 121.430 122.198 -0.768 25887 1065 1 3 . 1 1 143 143 THR HA H 143 4.967 4.967 4.973 -0.006 25887 1066 1 3 . 1 1 143 143 THR C C 143 172.546 172.546 173.317 -0.771 25887 1067 1 3 . 1 1 143 143 THR CA C 143 61.343 61.343 60.859 0.484 25887 1068 1 3 . 1 1 143 143 THR CB C 143 69.917 69.917 72.336 -2.419 25887 1069 1 3 . 1 1 143 143 THR H H 143 8.744 8.744 8.750 -0.006 25887 1070 1 3 . 1 1 144 144 LYS N N 144 126.310 126.310 124.711 1.599 25887 1071 1 3 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.330 0.259 25887 1072 1 3 . 1 1 144 144 LYS C C 144 175.839 175.839 175.891 -0.052 25887 1073 1 3 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.165 -0.498 25887 1074 1 3 . 1 1 144 144 LYS CB C 144 35.577 35.577 36.785 -1.208 25887 1075 1 3 . 1 1 144 144 LYS H H 144 9.397 9.397 8.237 1.160 25887 1076 1 3 . 1 1 145 145 MET N N 145 117.942 117.942 117.500 0.442 25887 1077 1 3 . 1 1 145 145 MET HA H 145 5.058 5.058 4.961 0.097 25887 1078 1 3 . 1 1 145 145 MET C C 145 174.454 174.454 173.135 1.319 25887 1079 1 3 . 1 1 145 145 MET CA C 145 54.843 54.843 54.710 0.133 25887 1080 1 3 . 1 1 145 145 MET CB C 145 35.827 35.827 35.202 0.625 25887 1081 1 3 . 1 1 145 145 MET H H 145 8.729 8.729 8.681 0.048 25887 1082 1 3 . 1 1 146 146 CYS N N 146 119.031 119.031 117.705 1.326 25887 1083 1 3 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.467 0.041 25887 1084 1 3 . 1 1 146 146 CYS C C 146 175.029 175.029 174.072 0.957 25887 1085 1 3 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.700 -1.031 25887 1086 1 3 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.849 15.449 25887 1087 1 3 . 1 1 146 146 CYS H H 146 8.642 8.642 8.528 0.114 25887 1088 1 3 . 1 1 147 147 HIS N N 147 120.858 120.858 119.541 1.317 25887 1089 1 3 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.675 -0.032 25887 1090 1 3 . 1 1 147 147 HIS C C 147 173.223 173.223 174.067 -0.844 25887 1091 1 3 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.316 1.285 25887 1092 1 3 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.174 0.646 25887 1093 1 3 . 1 1 147 147 HIS H H 147 9.423 9.423 9.071 0.352 25887 1094 1 3 . 1 1 148 148 ILE N N 148 125.370 125.370 121.587 3.783 25887 1095 1 3 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.240 0.130 25887 1096 1 3 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.951 0.587 25887 1097 1 3 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.969 -0.874 25887 1098 1 3 . 1 1 148 148 ILE H H 148 8.374 8.374 8.102 0.272 25887 1099 1 3 . 1 1 149 149 GLY N N 149 118.093 118.093 110.322 7.771 25887 1100 1 3 . 1 1 149 149 GLY C C 149 170.853 170.853 172.515 -1.662 25887 1101 1 3 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.673 -2.132 25887 1102 1 3 . 1 1 149 149 GLY H H 149 8.367 8.367 7.653 0.714 25887 1103 1 3 . 1 1 150 150 CYS N N 150 118.529 118.529 120.916 -2.387 25887 1104 1 3 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.920 -0.102 25887 1105 1 3 . 1 1 150 150 CYS CA C 150 50.265 50.265 57.010 -6.745 25887 1106 1 3 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.713 12.039 25887 1107 1 3 . 1 1 150 150 CYS H H 150 8.187 8.187 8.247 -0.060 25887 1108 1 3 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.515 -0.171 25887 1109 1 3 . 1 1 151 151 PRO CA C 151 62.428 62.428 63.301 -0.873 25887 1110 1 3 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.914 -1.242 25887 1111 1 3 . 1 1 152 152 ASP N N 152 117.148 117.148 120.487 -3.339 25887 1112 1 3 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.476 0.164 25887 1113 1 3 . 1 1 152 152 ASP C C 152 175.624 175.624 176.163 -0.539 25887 1114 1 3 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.647 -3.237 25887 1115 1 3 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.360 0.331 25887 1116 1 3 . 1 1 152 152 ASP H H 152 7.668 7.668 8.303 -0.635 25887 1117 1 3 . 1 1 153 153 ILE N N 153 119.719 119.719 118.889 0.830 25887 1118 1 3 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.924 -0.011 25887 1119 1 3 . 1 1 153 153 ILE CA C 153 64.996 64.996 61.085 3.911 25887 1120 1 3 . 1 1 153 153 ILE CB C 153 35.994 35.994 36.939 -0.945 25887 1121 1 3 . 1 1 153 153 ILE H H 153 8.327 8.327 8.037 0.290 25887 1122 1 3 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.402 -0.038 25887 1123 1 3 . 1 1 154 154 PRO C C 154 178.333 178.333 178.117 0.216 25887 1124 1 3 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.546 0.456 25887 1125 1 3 . 1 1 154 154 PRO CB C 154 30.777 30.777 32.022 -1.245 25887 1126 1 3 . 1 1 155 155 SER N N 155 112.667 112.667 114.131 -1.464 25887 1127 1 3 . 1 1 155 155 SER HA H 155 4.303 4.303 4.285 0.018 25887 1128 1 3 . 1 1 155 155 SER C C 155 175.450 175.450 175.610 -0.160 25887 1129 1 3 . 1 1 155 155 SER CA C 155 60.312 60.312 60.304 0.008 25887 1130 1 3 . 1 1 155 155 SER CB C 155 62.816 62.816 63.022 -0.206 25887 1131 1 3 . 1 1 155 155 SER H H 155 7.883 7.883 8.086 -0.203 25887 1132 1 3 . 1 1 156 156 LEU N N 156 120.903 120.903 119.494 1.409 25887 1133 1 3 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.198 0.107 25887 1134 1 3 . 1 1 156 156 LEU C C 156 177.974 177.974 176.603 1.371 25887 1135 1 3 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.811 -0.295 25887 1136 1 3 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.586 -0.506 25887 1137 1 3 . 1 1 156 156 LEU H H 156 7.770 7.770 7.453 0.317 25887 1138 1 3 . 1 1 157 157 GLY N N 157 105.004 105.004 103.725 1.279 25887 1139 1 3 . 1 1 157 157 GLY C C 157 174.321 174.321 173.038 1.283 25887 1140 1 3 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.514 0.673 25887 1141 1 3 . 1 1 157 157 GLY H H 157 7.666 7.666 7.424 0.242 25887 1142 1 3 . 1 1 158 158 LEU N N 158 119.534 119.534 117.154 2.380 25887 1143 1 3 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.803 -0.271 25887 1144 1 3 . 1 1 158 158 LEU C C 158 176.712 176.712 176.677 0.035 25887 1145 1 3 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.326 -1.566 25887 1146 1 3 . 1 1 158 158 LEU CB C 158 42.761 42.761 43.463 -0.702 25887 1147 1 3 . 1 1 158 158 LEU H H 158 8.203 8.203 8.078 0.125 25887 1148 1 3 . 1 1 159 159 GLY N N 159 108.700 108.700 106.790 1.910 25887 1149 1 3 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.376 -0.960 25887 1150 1 3 . 1 1 159 159 GLY H H 159 8.055 8.055 7.932 0.123 25887 1151 1 3 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.473 -0.097 25887 1152 1 3 . 1 1 160 160 PRO C C 160 177.112 177.112 177.627 -0.515 25887 1153 1 3 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.757 -1.446 25887 1154 1 3 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.989 -0.427 25887 1155 1 3 . 1 1 161 161 TYR N N 161 119.287 119.287 119.144 0.143 25887 1156 1 3 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.388 0.430 25887 1157 1 3 . 1 1 161 161 TYR CA C 161 56.419 56.419 59.902 -3.483 25887 1158 1 3 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.741 -0.780 25887 1159 1 3 . 1 1 161 161 TYR H H 161 8.130 8.130 8.233 -0.103 25887 1160 1 3 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.206 0.527 25887 1161 1 3 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.842 -2.496 25887 1162 1 3 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.315 6.093 25887 1163 1 3 . 1 1 163 163 SER N N 163 119.428 119.428 123.856 -4.428 25887 1164 1 3 . 1 1 163 163 SER HA H 163 4.788 4.788 4.623 0.165 25887 1165 1 3 . 1 1 163 163 SER C C 163 173.141 173.141 173.758 -0.617 25887 1166 1 3 . 1 1 163 163 SER CA C 163 56.672 56.672 57.541 -0.869 25887 1167 1 3 . 1 1 163 163 SER CB C 163 64.650 64.650 64.897 -0.247 25887 1168 1 3 . 1 1 163 163 SER H H 163 8.641 8.641 8.512 0.129 25887 1169 1 3 . 1 1 164 164 ILE N N 164 123.448 123.448 122.501 0.947 25887 1170 1 3 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.892 -0.146 25887 1171 1 3 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.738 -0.109 25887 1172 1 3 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.751 0.560 25887 1173 1 3 . 1 1 164 164 ILE H H 164 8.496 8.496 8.348 0.148 25887 1174 1 3 . 1 1 165 165 ALA N N 165 129.783 129.783 130.974 -1.191 25887 1175 1 3 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.861 0.009 25887 1176 1 3 . 1 1 165 165 ALA C C 165 176.219 176.219 175.633 0.586 25887 1177 1 3 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.780 -0.000 25887 1178 1 3 . 1 1 165 165 ALA CB C 165 21.348 21.348 21.183 0.165 25887 1179 1 3 . 1 1 165 165 ALA H H 165 8.941 8.941 8.952 -0.011 25887 1180 1 3 . 1 1 166 166 CYS N N 166 119.842 119.842 120.605 -0.763 25887 1181 1 3 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.363 0.189 25887 1182 1 3 . 1 1 166 166 CYS C C 166 172.289 172.289 174.835 -2.546 25887 1183 1 3 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.239 -4.120 25887 1184 1 3 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.628 19.198 25887 1185 1 3 . 1 1 166 166 CYS H H 166 9.049 9.049 8.556 0.493 25887 1186 1 3 . 1 1 167 167 CYS N N 167 118.569 118.569 117.830 0.739 25887 1187 1 3 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.835 0.401 25887 1188 1 3 . 1 1 167 167 CYS C C 167 173.562 173.562 172.995 0.567 25887 1189 1 3 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.318 -3.177 25887 1190 1 3 . 1 1 167 167 CYS CB C 167 45.463 45.463 29.881 15.582 25887 1191 1 3 . 1 1 167 167 CYS H H 167 9.297 9.297 8.888 0.409 25887 1192 1 3 . 1 1 168 168 GLN N N 168 118.916 118.916 120.246 -1.330 25887 1193 1 3 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.563 0.267 25887 1194 1 3 . 1 1 168 168 GLN C C 168 174.362 174.362 174.951 -0.589 25887 1195 1 3 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.476 0.509 25887 1196 1 3 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.266 4.422 25887 1197 1 3 . 1 1 168 168 GLN H H 168 9.105 9.105 8.539 0.566 25887 1198 1 3 . 1 1 169 169 THR N N 169 110.926 110.926 111.718 -0.792 25887 1199 1 3 . 1 1 169 169 THR HA H 169 4.813 4.813 4.643 0.170 25887 1200 1 3 . 1 1 169 169 THR C C 169 173.859 173.859 174.089 -0.230 25887 1201 1 3 . 1 1 169 169 THR CA C 169 60.038 60.038 59.737 0.301 25887 1202 1 3 . 1 1 169 169 THR CB C 169 71.377 71.377 71.612 -0.235 25887 1203 1 3 . 1 1 169 169 THR H H 169 7.540 7.540 7.453 0.087 25887 1204 1 3 . 1 1 170 170 SER N N 170 117.386 117.386 119.412 -2.026 25887 1205 1 3 . 1 1 170 170 SER HA H 170 4.850 4.850 4.326 0.524 25887 1206 1 3 . 1 1 170 170 SER C C 170 175.757 175.757 175.734 0.023 25887 1207 1 3 . 1 1 170 170 SER CA C 170 60.987 60.987 58.943 2.044 25887 1208 1 3 . 1 1 170 170 SER CB C 170 63.104 63.104 63.532 -0.429 25887 1209 1 3 . 1 1 170 170 SER H H 170 8.814 8.814 8.591 0.223 25887 1210 1 3 . 1 1 171 171 LEU N N 171 116.724 116.724 119.258 -2.534 25887 1211 1 3 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.880 -0.220 25887 1212 1 3 . 1 1 171 171 LEU C C 171 176.055 176.055 177.248 -1.193 25887 1213 1 3 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.655 0.370 25887 1214 1 3 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.449 -2.161 25887 1215 1 3 . 1 1 171 171 LEU H H 171 9.570 9.570 8.554 1.016 25887 1216 1 3 . 1 1 172 172 CYS N N 172 113.842 113.842 114.214 -0.372 25887 1217 1 3 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.512 0.102 25887 1218 1 3 . 1 1 172 172 CYS C C 172 174.424 174.424 175.067 -0.643 25887 1219 1 3 . 1 1 172 172 CYS CA C 172 57.810 57.810 58.685 -0.875 25887 1220 1 3 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.858 19.713 25887 1221 1 3 . 1 1 172 172 CYS H H 172 8.221 8.221 7.978 0.243 25887 1222 1 3 . 1 1 173 173 ASN N N 173 121.019 121.019 119.323 1.696 25887 1223 1 3 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.900 -0.143 25887 1224 1 3 . 1 1 173 173 ASN C C 173 174.239 174.239 174.519 -0.280 25887 1225 1 3 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.635 -1.870 25887 1226 1 3 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.980 -3.579 25887 1227 1 3 . 1 1 173 173 ASN H H 173 8.458 8.458 8.350 0.108 25887 1228 1 3 . 1 1 174 174 HIS N N 174 115.973 115.973 117.277 -1.304 25887 1229 1 3 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.885 -0.573 25887 1230 1 3 . 1 1 174 174 HIS C C 174 173.213 173.213 174.002 -0.789 25887 1231 1 3 . 1 1 174 174 HIS CA C 174 53.844 53.844 54.931 -1.087 25887 1232 1 3 . 1 1 174 174 HIS CB C 174 29.110 29.110 32.254 -3.144 25887 1233 1 3 . 1 1 174 174 HIS H H 174 7.170 7.170 7.421 -0.251 25887 1234 1 4 . 1 1 101 101 ILE N N 101 123.543 123.543 114.747 8.796 25887 1235 1 4 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.944 -0.336 25887 1236 1 4 . 1 1 101 101 ILE C C 101 172.659 172.659 173.860 -1.201 25887 1237 1 4 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.991 0.663 25887 1238 1 4 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.414 -0.113 25887 1239 1 4 . 1 1 101 101 ILE H H 101 8.681 8.681 8.377 0.304 25887 1240 1 4 . 1 1 102 102 TRP N N 102 123.817 123.817 120.860 2.957 25887 1241 1 4 . 1 1 102 102 TRP HA H 102 5.098 5.098 4.986 0.112 25887 1242 1 4 . 1 1 102 102 TRP C C 102 175.757 175.757 175.809 -0.052 25887 1243 1 4 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.147 -0.368 25887 1244 1 4 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.754 0.452 25887 1245 1 4 . 1 1 102 102 TRP H H 102 8.008 8.008 8.504 -0.496 25887 1246 1 4 . 1 1 103 103 CYS N N 103 116.424 116.424 120.394 -3.970 25887 1247 1 4 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.836 0.259 25887 1248 1 4 . 1 1 103 103 CYS C C 103 175.070 175.070 173.027 2.043 25887 1249 1 4 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.604 -5.593 25887 1250 1 4 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.817 10.127 25887 1251 1 4 . 1 1 103 103 CYS H H 103 8.481 8.481 8.815 -0.334 25887 1252 1 4 . 1 1 104 104 HIS N N 104 123.159 123.159 119.381 3.778 25887 1253 1 4 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.341 -0.745 25887 1254 1 4 . 1 1 104 104 HIS C C 104 176.075 176.075 175.586 0.489 25887 1255 1 4 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.397 3.336 25887 1256 1 4 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.473 0.511 25887 1257 1 4 . 1 1 104 104 HIS H H 104 9.364 9.364 8.724 0.640 25887 1258 1 4 . 1 1 105 105 GLN N N 105 123.570 123.570 122.033 1.537 25887 1259 1 4 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.727 0.251 25887 1260 1 4 . 1 1 105 105 GLN C C 105 173.623 173.623 175.098 -1.475 25887 1261 1 4 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.188 -0.819 25887 1262 1 4 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.432 1.350 25887 1263 1 4 . 1 1 105 105 GLN H H 105 8.108 8.108 8.389 -0.281 25887 1264 1 4 . 1 1 106 106 CYS N N 106 118.604 118.604 120.225 -1.621 25887 1265 1 4 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.595 0.356 25887 1266 1 4 . 1 1 106 106 CYS C C 106 171.120 171.120 175.057 -3.937 25887 1267 1 4 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.886 -4.979 25887 1268 1 4 . 1 1 106 106 CYS CB C 106 40.639 40.639 30.187 10.452 25887 1269 1 4 . 1 1 106 106 CYS H H 106 8.458 8.458 8.043 0.414 25887 1270 1 4 . 1 1 107 107 THR N N 107 113.541 113.541 116.395 -2.854 25887 1271 1 4 . 1 1 107 107 THR HA H 107 5.500 5.500 4.373 1.127 25887 1272 1 4 . 1 1 107 107 THR C C 107 173.592 173.592 174.732 -1.140 25887 1273 1 4 . 1 1 107 107 THR CA C 107 60.161 60.161 61.619 -1.458 25887 1274 1 4 . 1 1 107 107 THR CB C 107 71.879 71.879 70.068 1.811 25887 1275 1 4 . 1 1 107 107 THR H H 107 8.400 8.400 8.061 0.339 25887 1276 1 4 . 1 1 108 108 GLY N N 108 110.549 110.549 107.782 2.767 25887 1277 1 4 . 1 1 108 108 GLY C C 108 171.694 171.694 174.296 -2.602 25887 1278 1 4 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.874 0.574 25887 1279 1 4 . 1 1 108 108 GLY H H 108 8.817 8.817 7.596 1.221 25887 1280 1 4 . 1 1 109 109 PHE N N 109 120.830 120.830 115.828 5.002 25887 1281 1 4 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.134 0.990 25887 1282 1 4 . 1 1 109 109 PHE C C 109 177.225 177.225 175.489 1.736 25887 1283 1 4 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.212 0.226 25887 1284 1 4 . 1 1 109 109 PHE CB C 109 38.408 38.408 35.736 2.672 25887 1285 1 4 . 1 1 109 109 PHE H H 109 8.924 8.924 7.694 1.230 25887 1286 1 4 . 1 1 110 110 GLY N N 110 113.069 113.069 104.396 8.673 25887 1287 1 4 . 1 1 110 110 GLY C C 110 172.546 172.546 175.186 -2.640 25887 1288 1 4 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.007 0.701 25887 1289 1 4 . 1 1 110 110 GLY H H 110 9.442 9.442 7.664 1.778 25887 1290 1 4 . 1 1 111 111 GLY N N 111 106.335 106.335 107.720 -1.385 25887 1291 1 4 . 1 1 111 111 GLY C C 111 171.664 171.664 175.733 -4.069 25887 1292 1 4 . 1 1 111 111 GLY CA C 111 44.256 44.256 45.400 -1.144 25887 1293 1 4 . 1 1 111 111 GLY H H 111 7.095 7.095 7.896 -0.801 25887 1294 1 4 . 1 1 112 112 CYS N N 112 111.804 111.804 116.673 -4.869 25887 1295 1 4 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.331 0.425 25887 1296 1 4 . 1 1 112 112 CYS C C 112 171.027 171.027 174.611 -3.584 25887 1297 1 4 . 1 1 112 112 CYS CA C 112 56.123 56.123 57.251 -1.128 25887 1298 1 4 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.934 13.856 25887 1299 1 4 . 1 1 112 112 CYS H H 112 8.477 8.477 7.837 0.640 25887 1300 1 4 . 1 1 113 113 SER N N 113 116.083 116.083 115.132 0.951 25887 1301 1 4 . 1 1 113 113 SER HA H 113 4.603 4.603 4.013 0.590 25887 1302 1 4 . 1 1 113 113 SER C C 113 174.536 174.536 173.378 1.158 25887 1303 1 4 . 1 1 113 113 SER CA C 113 56.493 56.493 57.867 -1.373 25887 1304 1 4 . 1 1 113 113 SER CB C 113 65.160 65.160 64.698 0.463 25887 1305 1 4 . 1 1 113 113 SER H H 113 8.693 8.693 8.111 0.582 25887 1306 1 4 . 1 1 114 114 HIS N N 114 126.668 126.668 123.673 2.995 25887 1307 1 4 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.684 -0.116 25887 1308 1 4 . 1 1 114 114 HIS C C 114 172.515 172.515 174.426 -1.911 25887 1309 1 4 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.683 0.204 25887 1310 1 4 . 1 1 114 114 HIS CB C 114 27.276 27.276 33.085 -5.809 25887 1311 1 4 . 1 1 114 114 HIS H H 114 11.587 11.587 7.718 3.869 25887 1312 1 4 . 1 1 115 115 GLY N N 115 119.128 119.128 113.645 5.483 25887 1313 1 4 . 1 1 115 115 GLY C C 115 173.018 173.018 173.823 -0.805 25887 1314 1 4 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.342 1.115 25887 1315 1 4 . 1 1 115 115 GLY H H 115 9.361 9.361 8.621 0.740 25887 1316 1 4 . 1 1 116 116 SER N N 116 118.656 118.656 120.129 -1.473 25887 1317 1 4 . 1 1 116 116 SER HA H 116 4.451 4.451 4.736 -0.285 25887 1318 1 4 . 1 1 116 116 SER C C 116 171.848 171.848 173.093 -1.245 25887 1319 1 4 . 1 1 116 116 SER CA C 116 57.256 57.256 56.823 0.433 25887 1320 1 4 . 1 1 116 116 SER CB C 116 64.697 64.697 66.765 -2.068 25887 1321 1 4 . 1 1 116 116 SER H H 116 8.151 8.151 9.140 -0.989 25887 1322 1 4 . 1 1 117 117 ARG N N 117 124.682 124.682 121.475 3.207 25887 1323 1 4 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.692 -0.738 25887 1324 1 4 . 1 1 117 117 ARG C C 117 176.671 176.671 176.573 0.098 25887 1325 1 4 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.462 0.293 25887 1326 1 4 . 1 1 117 117 ARG CB C 117 30.117 30.117 30.059 0.058 25887 1327 1 4 . 1 1 117 117 ARG H H 117 7.629 7.629 8.227 -0.598 25887 1328 1 4 . 1 1 118 118 CYS N N 118 122.932 122.932 122.781 0.151 25887 1329 1 4 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.413 0.461 25887 1330 1 4 . 1 1 118 118 CYS C C 118 174.577 174.577 174.379 0.198 25887 1331 1 4 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.844 -5.848 25887 1332 1 4 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.038 11.259 25887 1333 1 4 . 1 1 118 118 CYS H H 118 7.852 7.852 7.806 0.046 25887 1334 1 4 . 1 1 119 119 LEU N N 119 120.027 120.027 121.994 -1.967 25887 1335 1 4 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.138 0.163 25887 1336 1 4 . 1 1 119 119 LEU C C 119 178.394 178.394 178.144 0.250 25887 1337 1 4 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.743 0.473 25887 1338 1 4 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.469 -0.778 25887 1339 1 4 . 1 1 119 119 LEU H H 119 7.980 7.980 8.326 -0.346 25887 1340 1 4 . 1 1 120 120 ARG N N 120 120.159 120.159 121.790 -1.631 25887 1341 1 4 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.961 0.077 25887 1342 1 4 . 1 1 120 120 ARG C C 120 175.624 175.624 176.960 -1.336 25887 1343 1 4 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.865 -0.449 25887 1344 1 4 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.135 -0.147 25887 1345 1 4 . 1 1 120 120 ARG H H 120 8.523 8.523 8.545 -0.022 25887 1346 1 4 . 1 1 121 121 ASP N N 121 115.199 115.199 115.657 -0.458 25887 1347 1 4 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.482 0.048 25887 1348 1 4 . 1 1 121 121 ASP C C 121 175.593 175.593 176.096 -0.503 25887 1349 1 4 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.320 -0.896 25887 1350 1 4 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.463 -0.429 25887 1351 1 4 . 1 1 121 121 ASP H H 121 8.252 8.252 8.086 0.166 25887 1352 1 4 . 1 1 122 122 SER N N 122 114.383 114.383 114.425 -0.042 25887 1353 1 4 . 1 1 122 122 SER HA H 122 4.124 4.124 4.440 -0.316 25887 1354 1 4 . 1 1 122 122 SER C C 122 173.264 173.264 174.590 -1.326 25887 1355 1 4 . 1 1 122 122 SER CA C 122 60.703 60.703 58.300 2.403 25887 1356 1 4 . 1 1 122 122 SER CB C 122 62.879 62.879 63.072 -0.193 25887 1357 1 4 . 1 1 122 122 SER H H 122 7.612 7.612 7.711 -0.099 25887 1358 1 4 . 1 1 123 123 THR N N 123 111.852 111.852 122.843 -10.991 25887 1359 1 4 . 1 1 123 123 THR HA H 123 4.519 4.519 4.511 0.008 25887 1360 1 4 . 1 1 123 123 THR C C 123 173.356 173.356 173.409 -0.053 25887 1361 1 4 . 1 1 123 123 THR CA C 123 61.888 61.888 61.092 0.796 25887 1362 1 4 . 1 1 123 123 THR CB C 123 70.830 70.830 68.974 1.856 25887 1363 1 4 . 1 1 123 123 THR H H 123 8.413 8.413 8.409 0.004 25887 1364 1 4 . 1 1 124 124 HIS N N 124 120.615 120.615 118.403 2.212 25887 1365 1 4 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.929 0.227 25887 1366 1 4 . 1 1 124 124 HIS C C 124 174.177 174.177 173.957 0.220 25887 1367 1 4 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.673 0.327 25887 1368 1 4 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.224 1.520 25887 1369 1 4 . 1 1 124 124 HIS H H 124 8.630 8.630 7.758 0.872 25887 1370 1 4 . 1 1 125 125 CYS N N 125 115.755 115.755 118.830 -3.075 25887 1371 1 4 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.271 0.445 25887 1372 1 4 . 1 1 125 125 CYS C C 125 174.906 174.906 173.595 1.311 25887 1373 1 4 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.809 -5.637 25887 1374 1 4 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.192 7.292 25887 1375 1 4 . 1 1 125 125 CYS H H 125 9.102 9.102 8.588 0.514 25887 1376 1 4 . 1 1 126 126 VAL N N 126 121.353 121.353 120.355 0.998 25887 1377 1 4 . 1 1 126 126 VAL HA H 126 5.199 5.199 5.138 0.061 25887 1378 1 4 . 1 1 126 126 VAL C C 126 176.004 176.004 175.148 0.856 25887 1379 1 4 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.551 0.004 25887 1380 1 4 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.950 -0.345 25887 1381 1 4 . 1 1 126 126 VAL H H 126 9.077 9.077 9.227 -0.150 25887 1382 1 4 . 1 1 127 127 THR N N 127 125.497 125.497 120.908 4.589 25887 1383 1 4 . 1 1 127 127 THR HA H 127 5.192 5.192 4.800 0.392 25887 1384 1 4 . 1 1 127 127 THR C C 127 173.510 173.510 173.576 -0.066 25887 1385 1 4 . 1 1 127 127 THR CA C 127 61.909 61.909 61.639 0.270 25887 1386 1 4 . 1 1 127 127 THR CB C 127 71.018 71.018 71.075 -0.057 25887 1387 1 4 . 1 1 127 127 THR H H 127 9.031 9.031 8.436 0.595 25887 1388 1 4 . 1 1 128 128 THR N N 128 121.196 121.196 118.926 2.270 25887 1389 1 4 . 1 1 128 128 THR HA H 128 5.500 5.500 4.784 0.716 25887 1390 1 4 . 1 1 128 128 THR C C 128 172.228 172.228 172.633 -0.405 25887 1391 1 4 . 1 1 128 128 THR CA C 128 59.004 59.004 60.194 -1.190 25887 1392 1 4 . 1 1 128 128 THR CB C 128 70.306 70.306 69.413 0.893 25887 1393 1 4 . 1 1 128 128 THR H H 128 9.625 9.625 9.196 0.429 25887 1394 1 4 . 1 1 129 129 ALA N N 129 124.169 124.169 129.716 -5.547 25887 1395 1 4 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.611 0.889 25887 1396 1 4 . 1 1 129 129 ALA C C 129 176.424 176.424 175.729 0.695 25887 1397 1 4 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.490 0.005 25887 1398 1 4 . 1 1 129 129 ALA CB C 129 21.348 21.348 19.791 1.557 25887 1399 1 4 . 1 1 129 129 ALA H H 129 8.539 8.539 8.403 0.136 25887 1400 1 4 . 1 1 130 130 THR N N 130 116.687 116.687 118.937 -2.250 25887 1401 1 4 . 1 1 130 130 THR HA H 130 4.890 4.890 4.648 0.242 25887 1402 1 4 . 1 1 130 130 THR C C 130 172.854 172.854 173.776 -0.922 25887 1403 1 4 . 1 1 130 130 THR CA C 130 60.678 60.678 60.820 -0.142 25887 1404 1 4 . 1 1 130 130 THR CB C 130 70.352 70.352 70.794 -0.442 25887 1405 1 4 . 1 1 130 130 THR H H 130 8.636 8.636 7.897 0.739 25887 1406 1 4 . 1 1 131 131 ARG N N 131 124.260 124.260 127.725 -3.465 25887 1407 1 4 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.621 0.029 25887 1408 1 4 . 1 1 131 131 ARG C C 131 175.603 175.603 175.331 0.272 25887 1409 1 4 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.882 -0.424 25887 1410 1 4 . 1 1 131 131 ARG CB C 131 30.755 30.755 30.925 -0.170 25887 1411 1 4 . 1 1 131 131 ARG H H 131 8.540 8.540 8.654 -0.114 25887 1412 1 4 . 1 1 132 132 VAL N N 132 121.349 121.349 121.897 -0.548 25887 1413 1 4 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.391 -0.159 25887 1414 1 4 . 1 1 132 132 VAL C C 132 175.727 175.727 174.639 1.088 25887 1415 1 4 . 1 1 132 132 VAL CA C 132 61.835 61.835 60.827 1.008 25887 1416 1 4 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.378 0.258 25887 1417 1 4 . 1 1 132 132 VAL H H 132 8.430 8.430 8.446 -0.016 25887 1418 1 4 . 1 1 133 133 LEU N N 133 124.364 124.364 128.565 -4.201 25887 1419 1 4 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.527 -0.075 25887 1420 1 4 . 1 1 133 133 LEU C C 133 176.753 176.753 176.482 0.271 25887 1421 1 4 . 1 1 133 133 LEU CA C 133 54.748 54.748 55.260 -0.512 25887 1422 1 4 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.355 -0.482 25887 1423 1 4 . 1 1 133 133 LEU H H 133 8.246 8.246 8.309 -0.063 25887 1424 1 4 . 1 1 134 134 SER N N 134 114.791 114.791 120.883 -6.092 25887 1425 1 4 . 1 1 134 134 SER HA H 134 4.490 4.490 4.755 -0.265 25887 1426 1 4 . 1 1 134 134 SER C C 134 173.900 173.900 174.368 -0.468 25887 1427 1 4 . 1 1 134 134 SER CA C 134 57.970 57.970 57.066 0.904 25887 1428 1 4 . 1 1 134 134 SER CB C 134 63.375 63.375 64.885 -1.510 25887 1429 1 4 . 1 1 134 134 SER H H 134 8.078 8.078 8.487 -0.409 25887 1430 1 4 . 1 1 135 135 ASN N N 135 119.634 119.634 123.631 -3.997 25887 1431 1 4 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.615 0.162 25887 1432 1 4 . 1 1 135 135 ASN C C 135 175.337 175.337 175.902 -0.565 25887 1433 1 4 . 1 1 135 135 ASN CA C 135 53.070 53.070 55.261 -2.192 25887 1434 1 4 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.273 0.073 25887 1435 1 4 . 1 1 135 135 ASN H H 135 8.287 8.287 8.835 -0.548 25887 1436 1 4 . 1 1 136 136 THR N N 136 112.097 112.097 112.854 -0.757 25887 1437 1 4 . 1 1 136 136 THR HA H 136 4.311 4.311 4.319 -0.008 25887 1438 1 4 . 1 1 136 136 THR C C 136 174.280 174.280 173.723 0.557 25887 1439 1 4 . 1 1 136 136 THR CA C 136 62.131 62.131 62.304 -0.173 25887 1440 1 4 . 1 1 136 136 THR CB C 136 69.106 69.106 69.634 -0.528 25887 1441 1 4 . 1 1 136 136 THR H H 136 8.085 8.085 7.812 0.273 25887 1442 1 4 . 1 1 137 137 GLU N N 137 120.207 120.207 121.422 -1.215 25887 1443 1 4 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.495 -0.131 25887 1444 1 4 . 1 1 137 137 GLU C C 137 175.296 175.296 175.490 -0.194 25887 1445 1 4 . 1 1 137 137 GLU CA C 137 55.754 55.754 56.011 -0.257 25887 1446 1 4 . 1 1 137 137 GLU CB C 137 29.189 29.189 31.224 -2.035 25887 1447 1 4 . 1 1 137 137 GLU H H 137 8.035 8.035 7.489 0.546 25887 1448 1 4 . 1 1 138 138 ASP N N 138 119.742 119.742 123.574 -3.832 25887 1449 1 4 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.728 -0.123 25887 1450 1 4 . 1 1 138 138 ASP C C 138 174.978 174.978 175.708 -0.730 25887 1451 1 4 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.762 -0.882 25887 1452 1 4 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.667 -1.432 25887 1453 1 4 . 1 1 138 138 ASP H H 138 8.097 8.097 8.752 -0.655 25887 1454 1 4 . 1 1 139 139 LEU N N 139 121.008 121.008 116.868 4.140 25887 1455 1 4 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.856 -0.079 25887 1456 1 4 . 1 1 139 139 LEU CA C 139 52.011 52.011 51.557 0.454 25887 1457 1 4 . 1 1 139 139 LEU CB C 139 42.693 42.693 42.115 0.578 25887 1458 1 4 . 1 1 139 139 LEU H H 139 8.021 8.021 7.501 0.520 25887 1459 1 4 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.439 0.195 25887 1460 1 4 . 1 1 140 140 PRO C C 140 175.419 175.419 175.837 -0.418 25887 1461 1 4 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.554 -0.491 25887 1462 1 4 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.912 -1.022 25887 1463 1 4 . 1 1 141 141 LEU N N 141 123.715 123.715 120.787 2.928 25887 1464 1 4 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.628 -0.452 25887 1465 1 4 . 1 1 141 141 LEU C C 141 175.870 175.870 174.911 0.959 25887 1466 1 4 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.358 0.832 25887 1467 1 4 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.868 -2.190 25887 1468 1 4 . 1 1 141 141 LEU H H 141 8.569 8.569 7.877 0.692 25887 1469 1 4 . 1 1 142 142 VAL N N 142 131.573 131.573 127.015 4.558 25887 1470 1 4 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.651 0.499 25887 1471 1 4 . 1 1 142 142 VAL C C 142 174.198 174.198 175.445 -1.247 25887 1472 1 4 . 1 1 142 142 VAL CA C 142 60.583 60.583 61.132 -0.549 25887 1473 1 4 . 1 1 142 142 VAL CB C 142 33.230 33.230 32.331 0.898 25887 1474 1 4 . 1 1 142 142 VAL H H 142 9.005 9.005 8.532 0.473 25887 1475 1 4 . 1 1 143 143 THR N N 143 121.430 121.430 125.490 -4.060 25887 1476 1 4 . 1 1 143 143 THR HA H 143 4.967 4.967 4.805 0.162 25887 1477 1 4 . 1 1 143 143 THR C C 143 172.546 172.546 173.688 -1.142 25887 1478 1 4 . 1 1 143 143 THR CA C 143 61.343 61.343 62.482 -1.139 25887 1479 1 4 . 1 1 143 143 THR CB C 143 69.917 69.917 70.448 -0.531 25887 1480 1 4 . 1 1 143 143 THR H H 143 8.744 8.744 8.589 0.155 25887 1481 1 4 . 1 1 144 144 LYS N N 144 126.310 126.310 126.096 0.214 25887 1482 1 4 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.360 0.229 25887 1483 1 4 . 1 1 144 144 LYS C C 144 175.839 175.839 176.107 -0.268 25887 1484 1 4 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.933 -0.266 25887 1485 1 4 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.880 -0.303 25887 1486 1 4 . 1 1 144 144 LYS H H 144 9.397 9.397 8.665 0.732 25887 1487 1 4 . 1 1 145 145 MET N N 145 117.942 117.942 116.837 1.105 25887 1488 1 4 . 1 1 145 145 MET HA H 145 5.058 5.058 4.997 0.061 25887 1489 1 4 . 1 1 145 145 MET C C 145 174.454 174.454 173.322 1.132 25887 1490 1 4 . 1 1 145 145 MET CA C 145 54.843 54.843 54.691 0.152 25887 1491 1 4 . 1 1 145 145 MET CB C 145 35.827 35.827 35.632 0.195 25887 1492 1 4 . 1 1 145 145 MET H H 145 8.729 8.729 9.105 -0.376 25887 1493 1 4 . 1 1 146 146 CYS N N 146 119.031 119.031 117.183 1.848 25887 1494 1 4 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.513 -0.005 25887 1495 1 4 . 1 1 146 146 CYS C C 146 175.029 175.029 174.164 0.865 25887 1496 1 4 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.899 -1.230 25887 1497 1 4 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.834 15.464 25887 1498 1 4 . 1 1 146 146 CYS H H 146 8.642 8.642 8.525 0.117 25887 1499 1 4 . 1 1 147 147 HIS N N 147 120.858 120.858 119.073 1.785 25887 1500 1 4 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.756 -0.113 25887 1501 1 4 . 1 1 147 147 HIS C C 147 173.223 173.223 174.683 -1.460 25887 1502 1 4 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.829 1.772 25887 1503 1 4 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.387 0.433 25887 1504 1 4 . 1 1 147 147 HIS H H 147 9.423 9.423 8.898 0.525 25887 1505 1 4 . 1 1 148 148 ILE N N 148 125.370 125.370 121.632 3.738 25887 1506 1 4 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.393 -0.023 25887 1507 1 4 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.489 1.049 25887 1508 1 4 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.207 -0.111 25887 1509 1 4 . 1 1 148 148 ILE H H 148 8.374 8.374 8.125 0.249 25887 1510 1 4 . 1 1 149 149 GLY N N 149 118.093 118.093 110.193 7.900 25887 1511 1 4 . 1 1 149 149 GLY C C 149 170.853 170.853 172.131 -1.278 25887 1512 1 4 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.801 -1.260 25887 1513 1 4 . 1 1 149 149 GLY H H 149 8.367 8.367 7.425 0.942 25887 1514 1 4 . 1 1 150 150 CYS N N 150 118.529 118.529 122.789 -4.260 25887 1515 1 4 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.995 -0.177 25887 1516 1 4 . 1 1 150 150 CYS CA C 150 50.265 50.265 55.934 -5.670 25887 1517 1 4 . 1 1 150 150 CYS CB C 150 38.752 38.752 27.830 10.922 25887 1518 1 4 . 1 1 150 150 CYS H H 150 8.187 8.187 8.494 -0.307 25887 1519 1 4 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.363 -0.019 25887 1520 1 4 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.392 0.035 25887 1521 1 4 . 1 1 151 151 PRO CB C 151 31.672 31.672 29.895 1.777 25887 1522 1 4 . 1 1 152 152 ASP N N 152 117.148 117.148 121.673 -4.525 25887 1523 1 4 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.432 0.208 25887 1524 1 4 . 1 1 152 152 ASP C C 152 175.624 175.624 175.047 0.577 25887 1525 1 4 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.338 -2.928 25887 1526 1 4 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.445 1.246 25887 1527 1 4 . 1 1 152 152 ASP H H 152 7.668 7.668 8.214 -0.546 25887 1528 1 4 . 1 1 153 153 ILE N N 153 119.719 119.719 124.212 -4.493 25887 1529 1 4 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.453 -0.540 25887 1530 1 4 . 1 1 153 153 ILE CA C 153 64.996 64.996 57.414 7.582 25887 1531 1 4 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.178 -2.184 25887 1532 1 4 . 1 1 153 153 ILE H H 153 8.327 8.327 8.056 0.271 25887 1533 1 4 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.503 -0.139 25887 1534 1 4 . 1 1 154 154 PRO C C 154 178.333 178.333 177.875 0.458 25887 1535 1 4 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.429 0.574 25887 1536 1 4 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.575 -0.798 25887 1537 1 4 . 1 1 155 155 SER N N 155 112.667 112.667 114.832 -2.165 25887 1538 1 4 . 1 1 155 155 SER HA H 155 4.303 4.303 4.269 0.034 25887 1539 1 4 . 1 1 155 155 SER C C 155 175.450 175.450 175.863 -0.413 25887 1540 1 4 . 1 1 155 155 SER CA C 155 60.312 60.312 60.467 -0.155 25887 1541 1 4 . 1 1 155 155 SER CB C 155 62.816 62.816 62.681 0.135 25887 1542 1 4 . 1 1 155 155 SER H H 155 7.883 7.883 8.255 -0.372 25887 1543 1 4 . 1 1 156 156 LEU N N 156 120.903 120.903 121.078 -0.175 25887 1544 1 4 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.135 0.170 25887 1545 1 4 . 1 1 156 156 LEU C C 156 177.974 177.974 176.700 1.274 25887 1546 1 4 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.770 -0.254 25887 1547 1 4 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.196 -0.116 25887 1548 1 4 . 1 1 156 156 LEU H H 156 7.770 7.770 7.313 0.457 25887 1549 1 4 . 1 1 157 157 GLY N N 157 105.004 105.004 104.676 0.328 25887 1550 1 4 . 1 1 157 157 GLY C C 157 174.321 174.321 173.445 0.876 25887 1551 1 4 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.575 1.612 25887 1552 1 4 . 1 1 157 157 GLY H H 157 7.666 7.666 7.304 0.362 25887 1553 1 4 . 1 1 158 158 LEU N N 158 119.534 119.534 123.793 -4.259 25887 1554 1 4 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.342 0.190 25887 1555 1 4 . 1 1 158 158 LEU C C 158 176.712 176.712 177.422 -0.710 25887 1556 1 4 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.828 -2.068 25887 1557 1 4 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.097 0.664 25887 1558 1 4 . 1 1 158 158 LEU H H 158 8.203 8.203 8.309 -0.106 25887 1559 1 4 . 1 1 159 159 GLY N N 159 108.700 108.700 109.025 -0.325 25887 1560 1 4 . 1 1 159 159 GLY CA C 159 44.416 44.416 46.629 -2.213 25887 1561 1 4 . 1 1 159 159 GLY H H 159 8.055 8.055 8.469 -0.414 25887 1562 1 4 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.320 0.056 25887 1563 1 4 . 1 1 160 160 PRO C C 160 177.112 177.112 175.677 1.435 25887 1564 1 4 . 1 1 160 160 PRO CA C 160 63.311 63.311 62.793 0.518 25887 1565 1 4 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.918 -0.356 25887 1566 1 4 . 1 1 161 161 TYR N N 161 119.287 119.287 113.643 5.644 25887 1567 1 4 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.142 0.676 25887 1568 1 4 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.552 -1.133 25887 1569 1 4 . 1 1 161 161 TYR CB C 161 36.961 36.961 34.947 2.014 25887 1570 1 4 . 1 1 161 161 TYR H H 161 8.130 8.130 7.003 1.127 25887 1571 1 4 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.110 0.623 25887 1572 1 4 . 1 1 162 162 VAL CA C 162 60.346 60.346 63.048 -2.702 25887 1573 1 4 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.414 5.994 25887 1574 1 4 . 1 1 163 163 SER N N 163 119.428 119.428 125.091 -5.663 25887 1575 1 4 . 1 1 163 163 SER HA H 163 4.788 4.788 4.724 0.064 25887 1576 1 4 . 1 1 163 163 SER C C 163 173.141 173.141 173.355 -0.214 25887 1577 1 4 . 1 1 163 163 SER CA C 163 56.672 56.672 58.003 -1.331 25887 1578 1 4 . 1 1 163 163 SER CB C 163 64.650 64.650 64.334 0.316 25887 1579 1 4 . 1 1 163 163 SER H H 163 8.641 8.641 8.070 0.571 25887 1580 1 4 . 1 1 164 164 ILE N N 164 123.448 123.448 124.796 -1.348 25887 1581 1 4 . 1 1 164 164 ILE HA H 164 4.746 4.746 5.038 -0.292 25887 1582 1 4 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.129 0.500 25887 1583 1 4 . 1 1 164 164 ILE CB C 164 41.311 41.311 39.839 1.472 25887 1584 1 4 . 1 1 164 164 ILE H H 164 8.496 8.496 8.594 -0.098 25887 1585 1 4 . 1 1 165 165 ALA N N 165 129.783 129.783 130.365 -0.582 25887 1586 1 4 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.800 0.070 25887 1587 1 4 . 1 1 165 165 ALA C C 165 176.219 176.219 175.633 0.586 25887 1588 1 4 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.950 -0.170 25887 1589 1 4 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.154 1.194 25887 1590 1 4 . 1 1 165 165 ALA H H 165 8.941 8.941 8.582 0.359 25887 1591 1 4 . 1 1 166 166 CYS N N 166 119.842 119.842 121.634 -1.792 25887 1592 1 4 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.607 -0.055 25887 1593 1 4 . 1 1 166 166 CYS C C 166 172.289 172.289 175.288 -2.999 25887 1594 1 4 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.075 -3.955 25887 1595 1 4 . 1 1 166 166 CYS CB C 166 48.826 48.826 27.712 21.114 25887 1596 1 4 . 1 1 166 166 CYS H H 166 9.049 9.049 8.525 0.524 25887 1597 1 4 . 1 1 167 167 CYS N N 167 118.569 118.569 122.435 -3.866 25887 1598 1 4 . 1 1 167 167 CYS HA H 167 5.236 5.236 5.013 0.223 25887 1599 1 4 . 1 1 167 167 CYS C C 167 173.562 173.562 173.496 0.066 25887 1600 1 4 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.651 -2.510 25887 1601 1 4 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.696 14.767 25887 1602 1 4 . 1 1 167 167 CYS H H 167 9.297 9.297 8.961 0.336 25887 1603 1 4 . 1 1 168 168 GLN N N 168 118.916 118.916 119.288 -0.372 25887 1604 1 4 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.456 0.374 25887 1605 1 4 . 1 1 168 168 GLN C C 168 174.362 174.362 174.851 -0.489 25887 1606 1 4 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.466 0.519 25887 1607 1 4 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.671 4.018 25887 1608 1 4 . 1 1 168 168 GLN H H 168 9.105 9.105 8.690 0.415 25887 1609 1 4 . 1 1 169 169 THR N N 169 110.926 110.926 113.292 -2.366 25887 1610 1 4 . 1 1 169 169 THR HA H 169 4.813 4.813 4.558 0.255 25887 1611 1 4 . 1 1 169 169 THR C C 169 173.859 173.859 174.134 -0.275 25887 1612 1 4 . 1 1 169 169 THR CA C 169 60.038 60.038 59.881 0.157 25887 1613 1 4 . 1 1 169 169 THR CB C 169 71.377 71.377 71.206 0.171 25887 1614 1 4 . 1 1 169 169 THR H H 169 7.540 7.540 7.477 0.063 25887 1615 1 4 . 1 1 170 170 SER N N 170 117.386 117.386 119.614 -2.228 25887 1616 1 4 . 1 1 170 170 SER HA H 170 4.850 4.850 4.294 0.556 25887 1617 1 4 . 1 1 170 170 SER C C 170 175.757 175.757 175.520 0.237 25887 1618 1 4 . 1 1 170 170 SER CA C 170 60.987 60.987 58.918 2.069 25887 1619 1 4 . 1 1 170 170 SER CB C 170 63.104 63.104 63.339 -0.235 25887 1620 1 4 . 1 1 170 170 SER H H 170 8.814 8.814 8.483 0.331 25887 1621 1 4 . 1 1 171 171 LEU N N 171 116.724 116.724 118.959 -2.235 25887 1622 1 4 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.917 -0.257 25887 1623 1 4 . 1 1 171 171 LEU C C 171 176.055 176.055 177.135 -1.080 25887 1624 1 4 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.589 0.436 25887 1625 1 4 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.535 -2.247 25887 1626 1 4 . 1 1 171 171 LEU H H 171 9.570 9.570 8.611 0.959 25887 1627 1 4 . 1 1 172 172 CYS N N 172 113.842 113.842 114.084 -0.242 25887 1628 1 4 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.447 0.167 25887 1629 1 4 . 1 1 172 172 CYS C C 172 174.424 174.424 174.696 -0.272 25887 1630 1 4 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.992 -0.181 25887 1631 1 4 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.921 19.650 25887 1632 1 4 . 1 1 172 172 CYS H H 172 8.221 8.221 7.780 0.441 25887 1633 1 4 . 1 1 173 173 ASN N N 173 121.019 121.019 118.077 2.942 25887 1634 1 4 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.931 -0.174 25887 1635 1 4 . 1 1 173 173 ASN C C 173 174.239 174.239 175.584 -1.345 25887 1636 1 4 . 1 1 173 173 ASN CA C 173 51.765 51.765 52.901 -1.136 25887 1637 1 4 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.375 -2.974 25887 1638 1 4 . 1 1 173 173 ASN H H 173 8.458 8.458 8.162 0.296 25887 1639 1 4 . 1 1 174 174 HIS N N 174 115.973 115.973 119.000 -3.027 25887 1640 1 4 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.507 -0.195 25887 1641 1 4 . 1 1 174 174 HIS C C 174 173.213 173.213 175.270 -2.057 25887 1642 1 4 . 1 1 174 174 HIS CA C 174 53.844 53.844 56.906 -3.062 25887 1643 1 4 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.407 -1.297 25887 1644 1 4 . 1 1 174 174 HIS H H 174 7.170 7.170 7.804 -0.634 25887 1645 1 5 . 1 1 101 101 ILE N N 101 123.543 123.543 117.208 6.335 25887 1646 1 5 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.769 -0.161 25887 1647 1 5 . 1 1 101 101 ILE C C 101 172.659 172.659 174.527 -1.868 25887 1648 1 5 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.658 -0.004 25887 1649 1 5 . 1 1 101 101 ILE CB C 101 41.301 41.301 39.857 1.444 25887 1650 1 5 . 1 1 101 101 ILE H H 101 8.681 8.681 7.530 1.151 25887 1651 1 5 . 1 1 102 102 TRP N N 102 123.817 123.817 121.060 2.757 25887 1652 1 5 . 1 1 102 102 TRP HA H 102 5.098 5.098 4.810 0.288 25887 1653 1 5 . 1 1 102 102 TRP C C 102 175.757 175.757 175.792 -0.035 25887 1654 1 5 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.289 -0.510 25887 1655 1 5 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.749 0.457 25887 1656 1 5 . 1 1 102 102 TRP H H 102 8.008 8.008 8.538 -0.530 25887 1657 1 5 . 1 1 103 103 CYS N N 103 116.424 116.424 120.363 -3.939 25887 1658 1 5 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.825 0.270 25887 1659 1 5 . 1 1 103 103 CYS C C 103 175.070 175.070 173.070 2.000 25887 1660 1 5 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.644 -5.633 25887 1661 1 5 . 1 1 103 103 CYS CB C 103 41.944 41.944 32.093 9.851 25887 1662 1 5 . 1 1 103 103 CYS H H 103 8.481 8.481 8.833 -0.352 25887 1663 1 5 . 1 1 104 104 HIS N N 104 123.159 123.159 120.063 3.096 25887 1664 1 5 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.070 -0.474 25887 1665 1 5 . 1 1 104 104 HIS C C 104 176.075 176.075 175.512 0.563 25887 1666 1 5 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.366 3.367 25887 1667 1 5 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.210 1.774 25887 1668 1 5 . 1 1 104 104 HIS H H 104 9.364 9.364 8.664 0.700 25887 1669 1 5 . 1 1 105 105 GLN N N 105 123.570 123.570 123.283 0.287 25887 1670 1 5 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.691 0.287 25887 1671 1 5 . 1 1 105 105 GLN C C 105 173.623 173.623 175.461 -1.838 25887 1672 1 5 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.458 -1.089 25887 1673 1 5 . 1 1 105 105 GLN CB C 105 30.782 30.782 28.767 2.014 25887 1674 1 5 . 1 1 105 105 GLN H H 105 8.108 8.108 7.786 0.322 25887 1675 1 5 . 1 1 106 106 CYS N N 106 118.604 118.604 118.946 -0.342 25887 1676 1 5 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.585 0.366 25887 1677 1 5 . 1 1 106 106 CYS C C 106 171.120 171.120 175.982 -4.862 25887 1678 1 5 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.803 -4.896 25887 1679 1 5 . 1 1 106 106 CYS CB C 106 40.639 40.639 28.893 11.746 25887 1680 1 5 . 1 1 106 106 CYS H H 106 8.458 8.458 8.208 0.250 25887 1681 1 5 . 1 1 107 107 THR N N 107 113.541 113.541 116.954 -3.413 25887 1682 1 5 . 1 1 107 107 THR HA H 107 5.500 5.500 4.218 1.282 25887 1683 1 5 . 1 1 107 107 THR C C 107 173.592 173.592 174.982 -1.390 25887 1684 1 5 . 1 1 107 107 THR CA C 107 60.161 60.161 66.647 -6.486 25887 1685 1 5 . 1 1 107 107 THR CB C 107 71.879 71.879 69.552 2.327 25887 1686 1 5 . 1 1 107 107 THR H H 107 8.400 8.400 8.772 -0.372 25887 1687 1 5 . 1 1 108 108 GLY N N 108 110.549 110.549 106.074 4.475 25887 1688 1 5 . 1 1 108 108 GLY C C 108 171.694 171.694 173.924 -2.230 25887 1689 1 5 . 1 1 108 108 GLY CA C 108 45.448 45.448 45.024 0.424 25887 1690 1 5 . 1 1 108 108 GLY H H 108 8.817 8.817 8.030 0.787 25887 1691 1 5 . 1 1 109 109 PHE N N 109 120.830 120.830 120.186 0.644 25887 1692 1 5 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.110 1.014 25887 1693 1 5 . 1 1 109 109 PHE C C 109 177.225 177.225 176.267 0.958 25887 1694 1 5 . 1 1 109 109 PHE CA C 109 58.438 58.438 59.410 -0.972 25887 1695 1 5 . 1 1 109 109 PHE CB C 109 38.408 38.408 37.614 0.794 25887 1696 1 5 . 1 1 109 109 PHE H H 109 8.924 8.924 8.514 0.410 25887 1697 1 5 . 1 1 110 110 GLY N N 110 113.069 113.069 103.859 9.210 25887 1698 1 5 . 1 1 110 110 GLY C C 110 172.546 172.546 174.679 -2.133 25887 1699 1 5 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.099 0.609 25887 1700 1 5 . 1 1 110 110 GLY H H 110 9.442 9.442 8.170 1.272 25887 1701 1 5 . 1 1 111 111 GLY N N 111 106.335 106.335 108.607 -2.272 25887 1702 1 5 . 1 1 111 111 GLY C C 111 171.664 171.664 174.134 -2.470 25887 1703 1 5 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.963 -0.707 25887 1704 1 5 . 1 1 111 111 GLY H H 111 7.095 7.095 7.582 -0.487 25887 1705 1 5 . 1 1 112 112 CYS N N 112 111.804 111.804 120.405 -8.601 25887 1706 1 5 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.330 0.426 25887 1707 1 5 . 1 1 112 112 CYS C C 112 171.027 171.027 173.723 -2.696 25887 1708 1 5 . 1 1 112 112 CYS CA C 112 56.123 56.123 60.247 -4.124 25887 1709 1 5 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.897 13.893 25887 1710 1 5 . 1 1 112 112 CYS H H 112 8.477 8.477 7.861 0.616 25887 1711 1 5 . 1 1 113 113 SER N N 113 116.083 116.083 119.027 -2.944 25887 1712 1 5 . 1 1 113 113 SER HA H 113 4.603 4.603 4.342 0.261 25887 1713 1 5 . 1 1 113 113 SER C C 113 174.536 174.536 172.680 1.856 25887 1714 1 5 . 1 1 113 113 SER CA C 113 56.493 56.493 57.509 -1.016 25887 1715 1 5 . 1 1 113 113 SER CB C 113 65.160 65.160 65.346 -0.186 25887 1716 1 5 . 1 1 113 113 SER H H 113 8.693 8.693 8.355 0.338 25887 1717 1 5 . 1 1 114 114 HIS N N 114 126.668 126.668 122.227 4.441 25887 1718 1 5 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.703 -0.135 25887 1719 1 5 . 1 1 114 114 HIS C C 114 172.515 172.515 174.793 -2.278 25887 1720 1 5 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.623 0.264 25887 1721 1 5 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.800 -5.524 25887 1722 1 5 . 1 1 114 114 HIS H H 114 11.587 11.587 8.186 3.401 25887 1723 1 5 . 1 1 115 115 GLY N N 115 119.128 119.128 112.775 6.353 25887 1724 1 5 . 1 1 115 115 GLY C C 115 173.018 173.018 174.311 -1.293 25887 1725 1 5 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.682 0.775 25887 1726 1 5 . 1 1 115 115 GLY H H 115 9.361 9.361 8.881 0.480 25887 1727 1 5 . 1 1 116 116 SER N N 116 118.656 118.656 120.905 -2.249 25887 1728 1 5 . 1 1 116 116 SER HA H 116 4.451 4.451 4.786 -0.335 25887 1729 1 5 . 1 1 116 116 SER C C 116 171.848 171.848 173.865 -2.017 25887 1730 1 5 . 1 1 116 116 SER CA C 116 57.256 57.256 56.959 0.297 25887 1731 1 5 . 1 1 116 116 SER CB C 116 64.697 64.697 66.368 -1.671 25887 1732 1 5 . 1 1 116 116 SER H H 116 8.151 8.151 8.976 -0.825 25887 1733 1 5 . 1 1 117 117 ARG N N 117 124.682 124.682 121.615 3.067 25887 1734 1 5 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.547 -0.593 25887 1735 1 5 . 1 1 117 117 ARG C C 117 176.671 176.671 175.086 1.585 25887 1736 1 5 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.709 1.046 25887 1737 1 5 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.457 0.660 25887 1738 1 5 . 1 1 117 117 ARG H H 117 7.629 7.629 8.006 -0.377 25887 1739 1 5 . 1 1 118 118 CYS N N 118 122.932 122.932 119.680 3.252 25887 1740 1 5 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.501 0.373 25887 1741 1 5 . 1 1 118 118 CYS C C 118 174.577 174.577 173.436 1.141 25887 1742 1 5 . 1 1 118 118 CYS CA C 118 52.996 52.996 57.871 -4.875 25887 1743 1 5 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.875 10.422 25887 1744 1 5 . 1 1 118 118 CYS H H 118 7.852 7.852 7.742 0.110 25887 1745 1 5 . 1 1 119 119 LEU N N 119 120.027 120.027 120.422 -0.395 25887 1746 1 5 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.422 -0.121 25887 1747 1 5 . 1 1 119 119 LEU C C 119 178.394 178.394 178.783 -0.389 25887 1748 1 5 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.377 0.839 25887 1749 1 5 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.541 -0.850 25887 1750 1 5 . 1 1 119 119 LEU H H 119 7.980 7.980 8.185 -0.205 25887 1751 1 5 . 1 1 120 120 ARG N N 120 120.159 120.159 122.315 -2.156 25887 1752 1 5 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.885 0.153 25887 1753 1 5 . 1 1 120 120 ARG C C 120 175.624 175.624 176.733 -1.109 25887 1754 1 5 . 1 1 120 120 ARG CA C 120 58.416 58.416 59.231 -0.815 25887 1755 1 5 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.078 -0.090 25887 1756 1 5 . 1 1 120 120 ARG H H 120 8.523 8.523 8.789 -0.266 25887 1757 1 5 . 1 1 121 121 ASP N N 121 115.199 115.199 117.587 -2.388 25887 1758 1 5 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.441 0.089 25887 1759 1 5 . 1 1 121 121 ASP C C 121 175.593 175.593 175.915 -0.322 25887 1760 1 5 . 1 1 121 121 ASP CA C 121 54.424 54.424 56.001 -1.577 25887 1761 1 5 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.819 -0.785 25887 1762 1 5 . 1 1 121 121 ASP H H 121 8.252 8.252 8.323 -0.071 25887 1763 1 5 . 1 1 122 122 SER N N 122 114.383 114.383 114.655 -0.272 25887 1764 1 5 . 1 1 122 122 SER HA H 122 4.124 4.124 4.208 -0.084 25887 1765 1 5 . 1 1 122 122 SER C C 122 173.264 173.264 173.410 -0.146 25887 1766 1 5 . 1 1 122 122 SER CA C 122 60.703 60.703 59.075 1.628 25887 1767 1 5 . 1 1 122 122 SER CB C 122 62.879 62.879 63.236 -0.357 25887 1768 1 5 . 1 1 122 122 SER H H 122 7.612 7.612 7.917 -0.305 25887 1769 1 5 . 1 1 123 123 THR N N 123 111.852 111.852 119.354 -7.502 25887 1770 1 5 . 1 1 123 123 THR HA H 123 4.519 4.519 4.508 0.011 25887 1771 1 5 . 1 1 123 123 THR C C 123 173.356 173.356 173.429 -0.073 25887 1772 1 5 . 1 1 123 123 THR CA C 123 61.888 61.888 60.538 1.350 25887 1773 1 5 . 1 1 123 123 THR CB C 123 70.830 70.830 69.412 1.418 25887 1774 1 5 . 1 1 123 123 THR H H 123 8.413 8.413 8.168 0.245 25887 1775 1 5 . 1 1 124 124 HIS N N 124 120.615 120.615 117.492 3.123 25887 1776 1 5 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.849 0.307 25887 1777 1 5 . 1 1 124 124 HIS C C 124 174.177 174.177 173.721 0.456 25887 1778 1 5 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.661 1.339 25887 1779 1 5 . 1 1 124 124 HIS CB C 124 34.744 34.744 34.175 0.569 25887 1780 1 5 . 1 1 124 124 HIS H H 124 8.630 8.630 7.564 1.066 25887 1781 1 5 . 1 1 125 125 CYS N N 125 115.755 115.755 117.292 -1.537 25887 1782 1 5 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.287 0.429 25887 1783 1 5 . 1 1 125 125 CYS C C 125 174.906 174.906 173.506 1.400 25887 1784 1 5 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.819 -5.647 25887 1785 1 5 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.878 6.606 25887 1786 1 5 . 1 1 125 125 CYS H H 125 9.102 9.102 8.542 0.560 25887 1787 1 5 . 1 1 126 126 VAL N N 126 121.353 121.353 119.361 1.992 25887 1788 1 5 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.437 0.762 25887 1789 1 5 . 1 1 126 126 VAL C C 126 176.004 176.004 174.635 1.369 25887 1790 1 5 . 1 1 126 126 VAL CA C 126 60.555 60.555 61.476 -0.921 25887 1791 1 5 . 1 1 126 126 VAL CB C 126 35.605 35.605 36.277 -0.672 25887 1792 1 5 . 1 1 126 126 VAL H H 126 9.077 9.077 9.219 -0.142 25887 1793 1 5 . 1 1 127 127 THR N N 127 125.497 125.497 122.709 2.788 25887 1794 1 5 . 1 1 127 127 THR HA H 127 5.192 5.192 4.782 0.410 25887 1795 1 5 . 1 1 127 127 THR C C 127 173.510 173.510 173.627 -0.117 25887 1796 1 5 . 1 1 127 127 THR CA C 127 61.909 61.909 61.559 0.351 25887 1797 1 5 . 1 1 127 127 THR CB C 127 71.018 71.018 69.066 1.952 25887 1798 1 5 . 1 1 127 127 THR H H 127 9.031 9.031 8.827 0.204 25887 1799 1 5 . 1 1 128 128 THR N N 128 121.196 121.196 117.780 3.416 25887 1800 1 5 . 1 1 128 128 THR HA H 128 5.500 5.500 4.847 0.653 25887 1801 1 5 . 1 1 128 128 THR C C 128 172.228 172.228 172.626 -0.398 25887 1802 1 5 . 1 1 128 128 THR CA C 128 59.004 59.004 59.884 -0.880 25887 1803 1 5 . 1 1 128 128 THR CB C 128 70.306 70.306 70.858 -0.552 25887 1804 1 5 . 1 1 128 128 THR H H 128 9.625 9.625 8.299 1.326 25887 1805 1 5 . 1 1 129 129 ALA N N 129 124.169 124.169 125.146 -0.977 25887 1806 1 5 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.215 0.285 25887 1807 1 5 . 1 1 129 129 ALA C C 129 176.424 176.424 175.524 0.900 25887 1808 1 5 . 1 1 129 129 ALA CA C 129 50.495 50.495 51.495 -1.000 25887 1809 1 5 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.685 -0.337 25887 1810 1 5 . 1 1 129 129 ALA H H 129 8.539 8.539 8.283 0.256 25887 1811 1 5 . 1 1 130 130 THR N N 130 116.687 116.687 114.569 2.118 25887 1812 1 5 . 1 1 130 130 THR HA H 130 4.890 4.890 4.787 0.103 25887 1813 1 5 . 1 1 130 130 THR C C 130 172.854 172.854 172.619 0.235 25887 1814 1 5 . 1 1 130 130 THR CA C 130 60.678 60.678 60.349 0.329 25887 1815 1 5 . 1 1 130 130 THR CB C 130 70.352 70.352 72.257 -1.905 25887 1816 1 5 . 1 1 130 130 THR H H 130 8.636 8.636 8.867 -0.231 25887 1817 1 5 . 1 1 131 131 ARG N N 131 124.260 124.260 123.015 1.245 25887 1818 1 5 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.580 0.070 25887 1819 1 5 . 1 1 131 131 ARG C C 131 175.603 175.603 174.500 1.103 25887 1820 1 5 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.712 -0.255 25887 1821 1 5 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.676 -0.921 25887 1822 1 5 . 1 1 131 131 ARG H H 131 8.540 8.540 8.322 0.218 25887 1823 1 5 . 1 1 132 132 VAL N N 132 121.349 121.349 123.692 -2.343 25887 1824 1 5 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.258 -0.026 25887 1825 1 5 . 1 1 132 132 VAL C C 132 175.727 175.727 175.319 0.408 25887 1826 1 5 . 1 1 132 132 VAL CA C 132 61.835 61.835 62.912 -1.077 25887 1827 1 5 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.649 -0.013 25887 1828 1 5 . 1 1 132 132 VAL H H 132 8.430 8.430 8.640 -0.210 25887 1829 1 5 . 1 1 133 133 LEU N N 133 124.364 124.364 122.390 1.974 25887 1830 1 5 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.613 -0.161 25887 1831 1 5 . 1 1 133 133 LEU C C 133 176.753 176.753 176.456 0.297 25887 1832 1 5 . 1 1 133 133 LEU CA C 133 54.748 54.748 54.707 0.041 25887 1833 1 5 . 1 1 133 133 LEU CB C 133 41.873 41.873 44.011 -2.138 25887 1834 1 5 . 1 1 133 133 LEU H H 133 8.246 8.246 7.588 0.658 25887 1835 1 5 . 1 1 134 134 SER N N 134 114.791 114.791 118.764 -3.973 25887 1836 1 5 . 1 1 134 134 SER HA H 134 4.490 4.490 4.497 -0.007 25887 1837 1 5 . 1 1 134 134 SER C C 134 173.900 173.900 174.851 -0.951 25887 1838 1 5 . 1 1 134 134 SER CA C 134 57.970 57.970 58.766 -0.796 25887 1839 1 5 . 1 1 134 134 SER CB C 134 63.375 63.375 63.494 -0.119 25887 1840 1 5 . 1 1 134 134 SER H H 134 8.078 8.078 8.649 -0.571 25887 1841 1 5 . 1 1 135 135 ASN N N 135 119.634 119.634 117.775 1.859 25887 1842 1 5 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.718 0.059 25887 1843 1 5 . 1 1 135 135 ASN C C 135 175.337 175.337 176.278 -0.941 25887 1844 1 5 . 1 1 135 135 ASN CA C 135 53.070 53.070 53.972 -0.902 25887 1845 1 5 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.514 -0.168 25887 1846 1 5 . 1 1 135 135 ASN H H 135 8.287 8.287 8.319 -0.032 25887 1847 1 5 . 1 1 136 136 THR N N 136 112.097 112.097 111.627 0.470 25887 1848 1 5 . 1 1 136 136 THR HA H 136 4.311 4.311 4.418 -0.107 25887 1849 1 5 . 1 1 136 136 THR C C 136 174.280 174.280 174.286 -0.006 25887 1850 1 5 . 1 1 136 136 THR CA C 136 62.131 62.131 62.986 -0.855 25887 1851 1 5 . 1 1 136 136 THR CB C 136 69.106 69.106 69.567 -0.461 25887 1852 1 5 . 1 1 136 136 THR H H 136 8.085 8.085 7.822 0.263 25887 1853 1 5 . 1 1 137 137 GLU N N 137 120.207 120.207 120.190 0.017 25887 1854 1 5 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.575 -0.211 25887 1855 1 5 . 1 1 137 137 GLU C C 137 175.296 175.296 175.162 0.134 25887 1856 1 5 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.483 0.271 25887 1857 1 5 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.222 -3.033 25887 1858 1 5 . 1 1 137 137 GLU H H 137 8.035 8.035 7.849 0.186 25887 1859 1 5 . 1 1 138 138 ASP N N 138 119.742 119.742 120.632 -0.890 25887 1860 1 5 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.511 0.094 25887 1861 1 5 . 1 1 138 138 ASP C C 138 174.978 174.978 176.671 -1.693 25887 1862 1 5 . 1 1 138 138 ASP CA C 138 53.880 53.880 56.205 -2.325 25887 1863 1 5 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.264 -1.030 25887 1864 1 5 . 1 1 138 138 ASP H H 138 8.097 8.097 8.700 -0.603 25887 1865 1 5 . 1 1 139 139 LEU N N 139 121.008 121.008 117.761 3.247 25887 1866 1 5 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.797 -0.020 25887 1867 1 5 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.013 -0.002 25887 1868 1 5 . 1 1 139 139 LEU CB C 139 42.693 42.693 41.628 1.065 25887 1869 1 5 . 1 1 139 139 LEU H H 139 8.021 8.021 7.532 0.489 25887 1870 1 5 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.389 0.245 25887 1871 1 5 . 1 1 140 140 PRO C C 140 175.419 175.419 175.941 -0.522 25887 1872 1 5 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.382 -0.319 25887 1873 1 5 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.540 -0.650 25887 1874 1 5 . 1 1 141 141 LEU N N 141 123.715 123.715 122.622 1.093 25887 1875 1 5 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.359 -0.183 25887 1876 1 5 . 1 1 141 141 LEU C C 141 175.870 175.870 175.624 0.246 25887 1877 1 5 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.390 0.800 25887 1878 1 5 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.123 -1.445 25887 1879 1 5 . 1 1 141 141 LEU H H 141 8.569 8.569 8.146 0.423 25887 1880 1 5 . 1 1 142 142 VAL N N 142 131.573 131.573 121.761 9.812 25887 1881 1 5 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.673 0.477 25887 1882 1 5 . 1 1 142 142 VAL C C 142 174.198 174.198 175.352 -1.154 25887 1883 1 5 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.676 -0.093 25887 1884 1 5 . 1 1 142 142 VAL CB C 142 33.230 33.230 35.461 -2.231 25887 1885 1 5 . 1 1 142 142 VAL H H 142 9.005 9.005 8.178 0.827 25887 1886 1 5 . 1 1 143 143 THR N N 143 121.430 121.430 119.230 2.200 25887 1887 1 5 . 1 1 143 143 THR HA H 143 4.967 4.967 4.940 0.027 25887 1888 1 5 . 1 1 143 143 THR C C 143 172.546 172.546 172.902 -0.356 25887 1889 1 5 . 1 1 143 143 THR CA C 143 61.343 61.343 61.993 -0.651 25887 1890 1 5 . 1 1 143 143 THR CB C 143 69.917 69.917 70.600 -0.683 25887 1891 1 5 . 1 1 143 143 THR H H 143 8.744 8.744 8.856 -0.112 25887 1892 1 5 . 1 1 144 144 LYS N N 144 126.310 126.310 128.037 -1.727 25887 1893 1 5 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.460 0.129 25887 1894 1 5 . 1 1 144 144 LYS C C 144 175.839 175.839 175.936 -0.097 25887 1895 1 5 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.971 -0.304 25887 1896 1 5 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.255 0.322 25887 1897 1 5 . 1 1 144 144 LYS H H 144 9.397 9.397 8.236 1.161 25887 1898 1 5 . 1 1 145 145 MET N N 145 117.942 117.942 119.566 -1.624 25887 1899 1 5 . 1 1 145 145 MET HA H 145 5.058 5.058 4.974 0.084 25887 1900 1 5 . 1 1 145 145 MET C C 145 174.454 174.454 173.415 1.039 25887 1901 1 5 . 1 1 145 145 MET CA C 145 54.843 54.843 53.679 1.164 25887 1902 1 5 . 1 1 145 145 MET CB C 145 35.827 35.827 35.402 0.425 25887 1903 1 5 . 1 1 145 145 MET H H 145 8.729 8.729 8.674 0.055 25887 1904 1 5 . 1 1 146 146 CYS N N 146 119.031 119.031 118.924 0.107 25887 1905 1 5 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.451 0.057 25887 1906 1 5 . 1 1 146 146 CYS C C 146 175.029 175.029 174.721 0.308 25887 1907 1 5 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.631 -0.962 25887 1908 1 5 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.184 16.114 25887 1909 1 5 . 1 1 146 146 CYS H H 146 8.642 8.642 8.466 0.176 25887 1910 1 5 . 1 1 147 147 HIS N N 147 120.858 120.858 119.303 1.555 25887 1911 1 5 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.772 -0.129 25887 1912 1 5 . 1 1 147 147 HIS C C 147 173.223 173.223 174.408 -1.185 25887 1913 1 5 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.957 1.644 25887 1914 1 5 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.900 -0.080 25887 1915 1 5 . 1 1 147 147 HIS H H 147 9.423 9.423 8.822 0.601 25887 1916 1 5 . 1 1 148 148 ILE N N 148 125.370 125.370 122.310 3.060 25887 1917 1 5 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.096 0.274 25887 1918 1 5 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.338 1.200 25887 1919 1 5 . 1 1 148 148 ILE CB C 148 36.096 36.096 35.964 0.132 25887 1920 1 5 . 1 1 148 148 ILE H H 148 8.374 8.374 8.154 0.220 25887 1921 1 5 . 1 1 149 149 GLY N N 149 118.093 118.093 111.616 6.477 25887 1922 1 5 . 1 1 149 149 GLY C C 149 170.853 170.853 172.343 -1.490 25887 1923 1 5 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.068 -1.527 25887 1924 1 5 . 1 1 149 149 GLY H H 149 8.367 8.367 7.983 0.384 25887 1925 1 5 . 1 1 150 150 CYS N N 150 118.529 118.529 121.003 -2.474 25887 1926 1 5 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.880 -0.062 25887 1927 1 5 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.799 -6.534 25887 1928 1 5 . 1 1 150 150 CYS CB C 150 38.752 38.752 25.947 12.805 25887 1929 1 5 . 1 1 150 150 CYS H H 150 8.187 8.187 8.623 -0.436 25887 1930 1 5 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.560 -0.216 25887 1931 1 5 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.819 -0.390 25887 1932 1 5 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.576 -0.904 25887 1933 1 5 . 1 1 152 152 ASP N N 152 117.148 117.148 118.781 -1.633 25887 1934 1 5 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.730 -0.090 25887 1935 1 5 . 1 1 152 152 ASP C C 152 175.624 175.624 175.276 0.348 25887 1936 1 5 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.822 -2.412 25887 1937 1 5 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.840 0.851 25887 1938 1 5 . 1 1 152 152 ASP H H 152 7.668 7.668 8.489 -0.821 25887 1939 1 5 . 1 1 153 153 ILE N N 153 119.719 119.719 123.170 -3.451 25887 1940 1 5 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.518 -0.605 25887 1941 1 5 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.635 6.361 25887 1942 1 5 . 1 1 153 153 ILE CB C 153 35.994 35.994 39.069 -3.075 25887 1943 1 5 . 1 1 153 153 ILE H H 153 8.327 8.327 8.427 -0.100 25887 1944 1 5 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.384 -0.020 25887 1945 1 5 . 1 1 154 154 PRO C C 154 178.333 178.333 177.784 0.549 25887 1946 1 5 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.386 0.617 25887 1947 1 5 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.574 -0.797 25887 1948 1 5 . 1 1 155 155 SER N N 155 112.667 112.667 114.623 -1.956 25887 1949 1 5 . 1 1 155 155 SER HA H 155 4.303 4.303 4.183 0.120 25887 1950 1 5 . 1 1 155 155 SER C C 155 175.450 175.450 175.518 -0.068 25887 1951 1 5 . 1 1 155 155 SER CA C 155 60.312 60.312 60.241 0.071 25887 1952 1 5 . 1 1 155 155 SER CB C 155 62.816 62.816 62.686 0.130 25887 1953 1 5 . 1 1 155 155 SER H H 155 7.883 7.883 8.082 -0.199 25887 1954 1 5 . 1 1 156 156 LEU N N 156 120.903 120.903 120.337 0.566 25887 1955 1 5 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.148 0.157 25887 1956 1 5 . 1 1 156 156 LEU C C 156 177.974 177.974 176.771 1.203 25887 1957 1 5 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.554 -1.038 25887 1958 1 5 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.462 -0.382 25887 1959 1 5 . 1 1 156 156 LEU H H 156 7.770 7.770 7.386 0.384 25887 1960 1 5 . 1 1 157 157 GLY N N 157 105.004 105.004 106.008 -1.004 25887 1961 1 5 . 1 1 157 157 GLY C C 157 174.321 174.321 174.416 -0.095 25887 1962 1 5 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.737 1.450 25887 1963 1 5 . 1 1 157 157 GLY H H 157 7.666 7.666 7.399 0.267 25887 1964 1 5 . 1 1 158 158 LEU N N 158 119.534 119.534 120.883 -1.349 25887 1965 1 5 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.295 0.237 25887 1966 1 5 . 1 1 158 158 LEU C C 158 176.712 176.712 177.518 -0.806 25887 1967 1 5 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.442 -1.682 25887 1968 1 5 . 1 1 158 158 LEU CB C 158 42.761 42.761 41.695 1.066 25887 1969 1 5 . 1 1 158 158 LEU H H 158 8.203 8.203 8.150 0.053 25887 1970 1 5 . 1 1 159 159 GLY N N 159 108.700 108.700 104.752 3.948 25887 1971 1 5 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.537 -1.121 25887 1972 1 5 . 1 1 159 159 GLY H H 159 8.055 8.055 7.221 0.834 25887 1973 1 5 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.457 -0.081 25887 1974 1 5 . 1 1 160 160 PRO C C 160 177.112 177.112 176.479 0.633 25887 1975 1 5 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.739 -0.428 25887 1976 1 5 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.962 -0.400 25887 1977 1 5 . 1 1 161 161 TYR N N 161 119.287 119.287 117.599 1.688 25887 1978 1 5 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.888 -0.070 25887 1979 1 5 . 1 1 161 161 TYR CA C 161 56.419 56.419 56.275 0.144 25887 1980 1 5 . 1 1 161 161 TYR CB C 161 36.961 36.961 39.598 -2.637 25887 1981 1 5 . 1 1 161 161 TYR H H 161 8.130 8.130 7.530 0.600 25887 1982 1 5 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.334 0.399 25887 1983 1 5 . 1 1 162 162 VAL CA C 162 60.346 60.346 61.778 -1.432 25887 1984 1 5 . 1 1 162 162 VAL CB C 162 38.408 38.408 34.744 3.664 25887 1985 1 5 . 1 1 163 163 SER N N 163 119.428 119.428 124.299 -4.871 25887 1986 1 5 . 1 1 163 163 SER HA H 163 4.788 4.788 4.891 -0.103 25887 1987 1 5 . 1 1 163 163 SER C C 163 173.141 173.141 173.444 -0.303 25887 1988 1 5 . 1 1 163 163 SER CA C 163 56.672 56.672 57.655 -0.983 25887 1989 1 5 . 1 1 163 163 SER CB C 163 64.650 64.650 63.809 0.841 25887 1990 1 5 . 1 1 163 163 SER H H 163 8.641 8.641 8.690 -0.049 25887 1991 1 5 . 1 1 164 164 ILE N N 164 123.448 123.448 124.465 -1.017 25887 1992 1 5 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.400 0.346 25887 1993 1 5 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.663 -0.035 25887 1994 1 5 . 1 1 164 164 ILE CB C 164 41.311 41.311 41.643 -0.332 25887 1995 1 5 . 1 1 164 164 ILE H H 164 8.496 8.496 8.537 -0.041 25887 1996 1 5 . 1 1 165 165 ALA N N 165 129.783 129.783 129.683 0.100 25887 1997 1 5 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.786 0.084 25887 1998 1 5 . 1 1 165 165 ALA C C 165 176.219 176.219 176.091 0.128 25887 1999 1 5 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.409 -0.629 25887 2000 1 5 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.318 1.030 25887 2001 1 5 . 1 1 165 165 ALA H H 165 8.941 8.941 8.374 0.567 25887 2002 1 5 . 1 1 166 166 CYS N N 166 119.842 119.842 120.590 -0.748 25887 2003 1 5 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.291 0.261 25887 2004 1 5 . 1 1 166 166 CYS C C 166 172.289 172.289 174.851 -2.562 25887 2005 1 5 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.432 -4.313 25887 2006 1 5 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.512 19.314 25887 2007 1 5 . 1 1 166 166 CYS H H 166 9.049 9.049 8.486 0.563 25887 2008 1 5 . 1 1 167 167 CYS N N 167 118.569 118.569 117.731 0.838 25887 2009 1 5 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.802 0.434 25887 2010 1 5 . 1 1 167 167 CYS C C 167 173.562 173.562 173.011 0.551 25887 2011 1 5 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.352 -3.211 25887 2012 1 5 . 1 1 167 167 CYS CB C 167 45.463 45.463 29.750 15.713 25887 2013 1 5 . 1 1 167 167 CYS H H 167 9.297 9.297 8.900 0.397 25887 2014 1 5 . 1 1 168 168 GLN N N 168 118.916 118.916 119.424 -0.508 25887 2015 1 5 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.324 0.506 25887 2016 1 5 . 1 1 168 168 GLN C C 168 174.362 174.362 174.622 -0.260 25887 2017 1 5 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.503 0.482 25887 2018 1 5 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.370 4.318 25887 2019 1 5 . 1 1 168 168 GLN H H 168 9.105 9.105 8.559 0.546 25887 2020 1 5 . 1 1 169 169 THR N N 169 110.926 110.926 112.225 -1.299 25887 2021 1 5 . 1 1 169 169 THR HA H 169 4.813 4.813 4.627 0.186 25887 2022 1 5 . 1 1 169 169 THR C C 169 173.859 173.859 173.930 -0.071 25887 2023 1 5 . 1 1 169 169 THR CA C 169 60.038 60.038 60.225 -0.187 25887 2024 1 5 . 1 1 169 169 THR CB C 169 71.377 71.377 71.821 -0.444 25887 2025 1 5 . 1 1 169 169 THR H H 169 7.540 7.540 7.452 0.088 25887 2026 1 5 . 1 1 170 170 SER N N 170 117.386 117.386 119.355 -1.969 25887 2027 1 5 . 1 1 170 170 SER HA H 170 4.850 4.850 4.387 0.463 25887 2028 1 5 . 1 1 170 170 SER C C 170 175.757 175.757 175.559 0.198 25887 2029 1 5 . 1 1 170 170 SER CA C 170 60.987 60.987 58.729 2.258 25887 2030 1 5 . 1 1 170 170 SER CB C 170 63.104 63.104 63.538 -0.433 25887 2031 1 5 . 1 1 170 170 SER H H 170 8.814 8.814 8.495 0.319 25887 2032 1 5 . 1 1 171 171 LEU N N 171 116.724 116.724 118.641 -1.917 25887 2033 1 5 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.789 -0.129 25887 2034 1 5 . 1 1 171 171 LEU C C 171 176.055 176.055 177.242 -1.187 25887 2035 1 5 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.520 0.505 25887 2036 1 5 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.075 -1.787 25887 2037 1 5 . 1 1 171 171 LEU H H 171 9.570 9.570 8.564 1.006 25887 2038 1 5 . 1 1 172 172 CYS N N 172 113.842 113.842 113.191 0.651 25887 2039 1 5 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.787 -0.173 25887 2040 1 5 . 1 1 172 172 CYS C C 172 174.424 174.424 175.090 -0.666 25887 2041 1 5 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.697 0.113 25887 2042 1 5 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.232 19.339 25887 2043 1 5 . 1 1 172 172 CYS H H 172 8.221 8.221 7.821 0.400 25887 2044 1 5 . 1 1 173 173 ASN N N 173 121.019 121.019 117.421 3.598 25887 2045 1 5 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.889 -0.132 25887 2046 1 5 . 1 1 173 173 ASN C C 173 174.239 174.239 175.397 -1.158 25887 2047 1 5 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.302 -1.537 25887 2048 1 5 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.950 -3.549 25887 2049 1 5 . 1 1 173 173 ASN H H 173 8.458 8.458 8.222 0.236 25887 2050 1 5 . 1 1 174 174 HIS N N 174 115.973 115.973 119.791 -3.818 25887 2051 1 5 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.502 -0.190 25887 2052 1 5 . 1 1 174 174 HIS C C 174 173.213 173.213 174.892 -1.679 25887 2053 1 5 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.779 -1.935 25887 2054 1 5 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.266 -1.156 25887 2055 1 5 . 1 1 174 174 HIS H H 174 7.170 7.170 7.950 -0.780 25887 2056 1 6 . 1 1 101 101 ILE N N 101 123.543 123.543 117.235 6.308 25887 2057 1 6 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.719 -0.111 25887 2058 1 6 . 1 1 101 101 ILE C C 101 172.659 172.659 173.891 -1.232 25887 2059 1 6 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.629 1.025 25887 2060 1 6 . 1 1 101 101 ILE CB C 101 41.301 41.301 40.386 0.915 25887 2061 1 6 . 1 1 101 101 ILE H H 101 8.681 8.681 7.721 0.960 25887 2062 1 6 . 1 1 102 102 TRP N N 102 123.817 123.817 121.883 1.934 25887 2063 1 6 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.018 0.080 25887 2064 1 6 . 1 1 102 102 TRP C C 102 175.757 175.757 175.995 -0.238 25887 2065 1 6 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.447 -0.668 25887 2066 1 6 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.863 0.343 25887 2067 1 6 . 1 1 102 102 TRP H H 102 8.008 8.008 8.531 -0.523 25887 2068 1 6 . 1 1 103 103 CYS N N 103 116.424 116.424 120.153 -3.729 25887 2069 1 6 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.769 0.326 25887 2070 1 6 . 1 1 103 103 CYS C C 103 175.070 175.070 173.067 2.003 25887 2071 1 6 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.172 -5.161 25887 2072 1 6 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.849 10.095 25887 2073 1 6 . 1 1 103 103 CYS H H 103 8.481 8.481 8.974 -0.493 25887 2074 1 6 . 1 1 104 104 HIS N N 104 123.159 123.159 118.958 4.201 25887 2075 1 6 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.112 -0.516 25887 2076 1 6 . 1 1 104 104 HIS C C 104 176.075 176.075 175.523 0.552 25887 2077 1 6 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.432 3.301 25887 2078 1 6 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.242 1.742 25887 2079 1 6 . 1 1 104 104 HIS H H 104 9.364 9.364 8.615 0.749 25887 2080 1 6 . 1 1 105 105 GLN N N 105 123.570 123.570 123.285 0.285 25887 2081 1 6 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.775 0.203 25887 2082 1 6 . 1 1 105 105 GLN C C 105 173.623 173.623 175.397 -1.774 25887 2083 1 6 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.769 -1.400 25887 2084 1 6 . 1 1 105 105 GLN CB C 105 30.782 30.782 28.604 2.178 25887 2085 1 6 . 1 1 105 105 GLN H H 105 8.108 8.108 7.868 0.240 25887 2086 1 6 . 1 1 106 106 CYS N N 106 118.604 118.604 118.296 0.308 25887 2087 1 6 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.669 0.282 25887 2088 1 6 . 1 1 106 106 CYS C C 106 171.120 171.120 175.156 -4.036 25887 2089 1 6 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.852 -4.946 25887 2090 1 6 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.110 11.530 25887 2091 1 6 . 1 1 106 106 CYS H H 106 8.458 8.458 7.998 0.460 25887 2092 1 6 . 1 1 107 107 THR N N 107 113.541 113.541 117.091 -3.550 25887 2093 1 6 . 1 1 107 107 THR HA H 107 5.500 5.500 4.472 1.028 25887 2094 1 6 . 1 1 107 107 THR C C 107 173.592 173.592 173.693 -0.101 25887 2095 1 6 . 1 1 107 107 THR CA C 107 60.161 60.161 61.400 -1.239 25887 2096 1 6 . 1 1 107 107 THR CB C 107 71.879 71.879 70.716 1.163 25887 2097 1 6 . 1 1 107 107 THR H H 107 8.400 8.400 8.405 -0.005 25887 2098 1 6 . 1 1 108 108 GLY N N 108 110.549 110.549 108.535 2.014 25887 2099 1 6 . 1 1 108 108 GLY C C 108 171.694 171.694 173.203 -1.509 25887 2100 1 6 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.806 0.642 25887 2101 1 6 . 1 1 108 108 GLY H H 108 8.817 8.817 8.055 0.762 25887 2102 1 6 . 1 1 109 109 PHE N N 109 120.830 120.830 125.334 -4.504 25887 2103 1 6 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.703 0.421 25887 2104 1 6 . 1 1 109 109 PHE C C 109 177.225 177.225 175.576 1.649 25887 2105 1 6 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.010 1.429 25887 2106 1 6 . 1 1 109 109 PHE CB C 109 38.408 38.408 39.521 -1.113 25887 2107 1 6 . 1 1 109 109 PHE H H 109 8.924 8.924 7.724 1.200 25887 2108 1 6 . 1 1 110 110 GLY N N 110 113.069 113.069 108.058 5.011 25887 2109 1 6 . 1 1 110 110 GLY C C 110 172.546 172.546 174.944 -2.398 25887 2110 1 6 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.351 0.357 25887 2111 1 6 . 1 1 110 110 GLY H H 110 9.442 9.442 8.080 1.362 25887 2112 1 6 . 1 1 111 111 GLY N N 111 106.335 106.335 107.754 -1.419 25887 2113 1 6 . 1 1 111 111 GLY C C 111 171.664 171.664 175.433 -3.769 25887 2114 1 6 . 1 1 111 111 GLY CA C 111 44.256 44.256 45.263 -1.007 25887 2115 1 6 . 1 1 111 111 GLY H H 111 7.095 7.095 8.170 -1.075 25887 2116 1 6 . 1 1 112 112 CYS N N 112 111.804 111.804 116.616 -4.812 25887 2117 1 6 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.331 0.425 25887 2118 1 6 . 1 1 112 112 CYS C C 112 171.027 171.027 173.869 -2.842 25887 2119 1 6 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.226 -2.103 25887 2120 1 6 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.764 14.026 25887 2121 1 6 . 1 1 112 112 CYS H H 112 8.477 8.477 8.122 0.355 25887 2122 1 6 . 1 1 113 113 SER N N 113 116.083 116.083 117.072 -0.989 25887 2123 1 6 . 1 1 113 113 SER HA H 113 4.603 4.603 4.286 0.317 25887 2124 1 6 . 1 1 113 113 SER C C 113 174.536 174.536 172.766 1.770 25887 2125 1 6 . 1 1 113 113 SER CA C 113 56.493 56.493 57.575 -1.082 25887 2126 1 6 . 1 1 113 113 SER CB C 113 65.160 65.160 65.348 -0.188 25887 2127 1 6 . 1 1 113 113 SER H H 113 8.693 8.693 8.278 0.415 25887 2128 1 6 . 1 1 114 114 HIS N N 114 126.668 126.668 119.503 7.165 25887 2129 1 6 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.674 -0.106 25887 2130 1 6 . 1 1 114 114 HIS C C 114 172.515 172.515 175.074 -2.559 25887 2131 1 6 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.373 0.514 25887 2132 1 6 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.350 -5.074 25887 2133 1 6 . 1 1 114 114 HIS H H 114 11.587 11.587 8.159 3.428 25887 2134 1 6 . 1 1 115 115 GLY N N 115 119.128 119.128 113.077 6.051 25887 2135 1 6 . 1 1 115 115 GLY C C 115 173.018 173.018 174.106 -1.088 25887 2136 1 6 . 1 1 115 115 GLY CA C 115 46.457 46.457 46.430 0.027 25887 2137 1 6 . 1 1 115 115 GLY H H 115 9.361 9.361 9.018 0.343 25887 2138 1 6 . 1 1 116 116 SER N N 116 118.656 118.656 119.159 -0.503 25887 2139 1 6 . 1 1 116 116 SER HA H 116 4.451 4.451 4.964 -0.513 25887 2140 1 6 . 1 1 116 116 SER C C 116 171.848 171.848 173.163 -1.315 25887 2141 1 6 . 1 1 116 116 SER CA C 116 57.256 57.256 56.908 0.348 25887 2142 1 6 . 1 1 116 116 SER CB C 116 64.697 64.697 67.116 -2.419 25887 2143 1 6 . 1 1 116 116 SER H H 116 8.151 8.151 8.787 -0.636 25887 2144 1 6 . 1 1 117 117 ARG N N 117 124.682 124.682 120.240 4.442 25887 2145 1 6 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.585 -0.631 25887 2146 1 6 . 1 1 117 117 ARG C C 117 176.671 176.671 175.805 0.866 25887 2147 1 6 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.539 1.216 25887 2148 1 6 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.685 0.432 25887 2149 1 6 . 1 1 117 117 ARG H H 117 7.629 7.629 8.249 -0.620 25887 2150 1 6 . 1 1 118 118 CYS N N 118 122.932 122.932 122.944 -0.012 25887 2151 1 6 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.188 0.686 25887 2152 1 6 . 1 1 118 118 CYS C C 118 174.577 174.577 174.876 -0.299 25887 2153 1 6 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.582 -6.586 25887 2154 1 6 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.664 11.633 25887 2155 1 6 . 1 1 118 118 CYS H H 118 7.852 7.852 7.766 0.086 25887 2156 1 6 . 1 1 119 119 LEU N N 119 120.027 120.027 122.010 -1.983 25887 2157 1 6 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.332 -0.031 25887 2158 1 6 . 1 1 119 119 LEU C C 119 178.394 178.394 177.642 0.752 25887 2159 1 6 . 1 1 119 119 LEU CA C 119 55.216 55.216 53.759 1.457 25887 2160 1 6 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.810 -1.119 25887 2161 1 6 . 1 1 119 119 LEU H H 119 7.980 7.980 8.039 -0.059 25887 2162 1 6 . 1 1 120 120 ARG N N 120 120.159 120.159 121.685 -1.526 25887 2163 1 6 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.917 0.121 25887 2164 1 6 . 1 1 120 120 ARG C C 120 175.624 175.624 176.900 -1.276 25887 2165 1 6 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.318 0.098 25887 2166 1 6 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.121 -0.133 25887 2167 1 6 . 1 1 120 120 ARG H H 120 8.523 8.523 8.496 0.027 25887 2168 1 6 . 1 1 121 121 ASP N N 121 115.199 115.199 117.502 -2.303 25887 2169 1 6 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.437 0.093 25887 2170 1 6 . 1 1 121 121 ASP C C 121 175.593 175.593 176.056 -0.463 25887 2171 1 6 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.563 -1.139 25887 2172 1 6 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.815 -0.781 25887 2173 1 6 . 1 1 121 121 ASP H H 121 8.252 8.252 8.305 -0.053 25887 2174 1 6 . 1 1 122 122 SER N N 122 114.383 114.383 114.565 -0.182 25887 2175 1 6 . 1 1 122 122 SER HA H 122 4.124 4.124 4.371 -0.247 25887 2176 1 6 . 1 1 122 122 SER C C 122 173.264 173.264 174.377 -1.113 25887 2177 1 6 . 1 1 122 122 SER CA C 122 60.703 60.703 58.713 1.990 25887 2178 1 6 . 1 1 122 122 SER CB C 122 62.879 62.879 63.309 -0.430 25887 2179 1 6 . 1 1 122 122 SER H H 122 7.612 7.612 7.774 -0.162 25887 2180 1 6 . 1 1 123 123 THR N N 123 111.852 111.852 119.263 -7.411 25887 2181 1 6 . 1 1 123 123 THR HA H 123 4.519 4.519 4.483 0.036 25887 2182 1 6 . 1 1 123 123 THR C C 123 173.356 173.356 173.529 -0.173 25887 2183 1 6 . 1 1 123 123 THR CA C 123 61.888 61.888 61.763 0.125 25887 2184 1 6 . 1 1 123 123 THR CB C 123 70.830 70.830 68.834 1.996 25887 2185 1 6 . 1 1 123 123 THR H H 123 8.413 8.413 8.041 0.372 25887 2186 1 6 . 1 1 124 124 HIS N N 124 120.615 120.615 117.883 2.732 25887 2187 1 6 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.843 0.313 25887 2188 1 6 . 1 1 124 124 HIS C C 124 174.177 174.177 173.635 0.542 25887 2189 1 6 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.284 0.716 25887 2190 1 6 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.226 1.518 25887 2191 1 6 . 1 1 124 124 HIS H H 124 8.630 8.630 7.509 1.121 25887 2192 1 6 . 1 1 125 125 CYS N N 125 115.755 115.755 118.454 -2.699 25887 2193 1 6 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.080 0.636 25887 2194 1 6 . 1 1 125 125 CYS C C 125 174.906 174.906 173.488 1.418 25887 2195 1 6 . 1 1 125 125 CYS CA C 125 52.172 52.172 58.338 -6.166 25887 2196 1 6 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.026 7.458 25887 2197 1 6 . 1 1 125 125 CYS H H 125 9.102 9.102 8.650 0.452 25887 2198 1 6 . 1 1 126 126 VAL N N 126 121.353 121.353 121.000 0.353 25887 2199 1 6 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.778 0.421 25887 2200 1 6 . 1 1 126 126 VAL C C 126 176.004 176.004 175.254 0.750 25887 2201 1 6 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.656 -0.100 25887 2202 1 6 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.071 0.534 25887 2203 1 6 . 1 1 126 126 VAL H H 126 9.077 9.077 9.152 -0.075 25887 2204 1 6 . 1 1 127 127 THR N N 127 125.497 125.497 119.821 5.676 25887 2205 1 6 . 1 1 127 127 THR HA H 127 5.192 5.192 4.821 0.371 25887 2206 1 6 . 1 1 127 127 THR C C 127 173.510 173.510 173.380 0.130 25887 2207 1 6 . 1 1 127 127 THR CA C 127 61.909 61.909 61.971 -0.062 25887 2208 1 6 . 1 1 127 127 THR CB C 127 71.018 71.018 71.020 -0.002 25887 2209 1 6 . 1 1 127 127 THR H H 127 9.031 9.031 8.478 0.553 25887 2210 1 6 . 1 1 128 128 THR N N 128 121.196 121.196 118.412 2.784 25887 2211 1 6 . 1 1 128 128 THR HA H 128 5.500 5.500 5.275 0.225 25887 2212 1 6 . 1 1 128 128 THR C C 128 172.228 172.228 172.959 -0.731 25887 2213 1 6 . 1 1 128 128 THR CA C 128 59.004 59.004 59.486 -0.482 25887 2214 1 6 . 1 1 128 128 THR CB C 128 70.306 70.306 70.670 -0.364 25887 2215 1 6 . 1 1 128 128 THR H H 128 9.625 9.625 8.873 0.752 25887 2216 1 6 . 1 1 129 129 ALA N N 129 124.169 124.169 129.649 -5.480 25887 2217 1 6 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.814 0.686 25887 2218 1 6 . 1 1 129 129 ALA C C 129 176.424 176.424 176.326 0.098 25887 2219 1 6 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.187 0.308 25887 2220 1 6 . 1 1 129 129 ALA CB C 129 21.348 21.348 19.375 1.972 25887 2221 1 6 . 1 1 129 129 ALA H H 129 8.539 8.539 8.445 0.094 25887 2222 1 6 . 1 1 130 130 THR N N 130 116.687 116.687 114.497 2.190 25887 2223 1 6 . 1 1 130 130 THR HA H 130 4.890 4.890 4.466 0.424 25887 2224 1 6 . 1 1 130 130 THR C C 130 172.854 172.854 174.078 -1.224 25887 2225 1 6 . 1 1 130 130 THR CA C 130 60.678 60.678 61.236 -0.558 25887 2226 1 6 . 1 1 130 130 THR CB C 130 70.352 70.352 70.053 0.299 25887 2227 1 6 . 1 1 130 130 THR H H 130 8.636 8.636 7.804 0.832 25887 2228 1 6 . 1 1 131 131 ARG N N 131 124.260 124.260 124.677 -0.417 25887 2229 1 6 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.631 0.019 25887 2230 1 6 . 1 1 131 131 ARG C C 131 175.603 175.603 174.682 0.921 25887 2231 1 6 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.294 0.164 25887 2232 1 6 . 1 1 131 131 ARG CB C 131 30.755 30.755 32.330 -1.575 25887 2233 1 6 . 1 1 131 131 ARG H H 131 8.540 8.540 8.613 -0.073 25887 2234 1 6 . 1 1 132 132 VAL N N 132 121.349 121.349 121.018 0.331 25887 2235 1 6 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.356 -0.124 25887 2236 1 6 . 1 1 132 132 VAL C C 132 175.727 175.727 175.200 0.527 25887 2237 1 6 . 1 1 132 132 VAL CA C 132 61.835 61.835 60.805 1.030 25887 2238 1 6 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.832 -0.196 25887 2239 1 6 . 1 1 132 132 VAL H H 132 8.430 8.430 8.400 0.030 25887 2240 1 6 . 1 1 133 133 LEU N N 133 124.364 124.364 127.791 -3.427 25887 2241 1 6 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.368 0.084 25887 2242 1 6 . 1 1 133 133 LEU C C 133 176.753 176.753 176.150 0.603 25887 2243 1 6 . 1 1 133 133 LEU CA C 133 54.748 54.748 55.844 -1.096 25887 2244 1 6 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.993 -0.120 25887 2245 1 6 . 1 1 133 133 LEU H H 133 8.246 8.246 8.354 -0.108 25887 2246 1 6 . 1 1 134 134 SER N N 134 114.791 114.791 120.164 -5.373 25887 2247 1 6 . 1 1 134 134 SER HA H 134 4.490 4.490 4.744 -0.254 25887 2248 1 6 . 1 1 134 134 SER C C 134 173.900 173.900 174.647 -0.747 25887 2249 1 6 . 1 1 134 134 SER CA C 134 57.970 57.970 57.451 0.519 25887 2250 1 6 . 1 1 134 134 SER CB C 134 63.375 63.375 66.346 -2.971 25887 2251 1 6 . 1 1 134 134 SER H H 134 8.078 8.078 8.344 -0.266 25887 2252 1 6 . 1 1 135 135 ASN N N 135 119.634 119.634 121.298 -1.664 25887 2253 1 6 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.570 0.207 25887 2254 1 6 . 1 1 135 135 ASN C C 135 175.337 175.337 175.776 -0.439 25887 2255 1 6 . 1 1 135 135 ASN CA C 135 53.070 53.070 55.006 -1.936 25887 2256 1 6 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.633 -0.287 25887 2257 1 6 . 1 1 135 135 ASN H H 135 8.287 8.287 8.697 -0.410 25887 2258 1 6 . 1 1 136 136 THR N N 136 112.097 112.097 113.074 -0.977 25887 2259 1 6 . 1 1 136 136 THR HA H 136 4.311 4.311 4.506 -0.195 25887 2260 1 6 . 1 1 136 136 THR C C 136 174.280 174.280 173.498 0.782 25887 2261 1 6 . 1 1 136 136 THR CA C 136 62.131 62.131 60.567 1.564 25887 2262 1 6 . 1 1 136 136 THR CB C 136 69.106 69.106 70.131 -1.025 25887 2263 1 6 . 1 1 136 136 THR H H 136 8.085 8.085 7.503 0.582 25887 2264 1 6 . 1 1 137 137 GLU N N 137 120.207 120.207 122.199 -1.992 25887 2265 1 6 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.299 0.065 25887 2266 1 6 . 1 1 137 137 GLU C C 137 175.296 175.296 175.434 -0.138 25887 2267 1 6 . 1 1 137 137 GLU CA C 137 55.754 55.754 57.484 -1.730 25887 2268 1 6 . 1 1 137 137 GLU CB C 137 29.189 29.189 28.697 0.492 25887 2269 1 6 . 1 1 137 137 GLU H H 137 8.035 8.035 8.767 -0.732 25887 2270 1 6 . 1 1 138 138 ASP N N 138 119.742 119.742 123.170 -3.428 25887 2271 1 6 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.741 -0.136 25887 2272 1 6 . 1 1 138 138 ASP C C 138 174.978 174.978 175.872 -0.894 25887 2273 1 6 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.383 -0.502 25887 2274 1 6 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.798 -1.563 25887 2275 1 6 . 1 1 138 138 ASP H H 138 8.097 8.097 8.129 -0.032 25887 2276 1 6 . 1 1 139 139 LEU N N 139 121.008 121.008 118.375 2.633 25887 2277 1 6 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.078 0.699 25887 2278 1 6 . 1 1 139 139 LEU CA C 139 52.011 52.011 54.161 -2.150 25887 2279 1 6 . 1 1 139 139 LEU CB C 139 42.693 42.693 41.392 1.302 25887 2280 1 6 . 1 1 139 139 LEU H H 139 8.021 8.021 8.163 -0.142 25887 2281 1 6 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.421 0.213 25887 2282 1 6 . 1 1 140 140 PRO C C 140 175.419 175.419 175.676 -0.257 25887 2283 1 6 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.333 -0.270 25887 2284 1 6 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.600 -0.710 25887 2285 1 6 . 1 1 141 141 LEU N N 141 123.715 123.715 123.588 0.127 25887 2286 1 6 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.410 -0.234 25887 2287 1 6 . 1 1 141 141 LEU C C 141 175.870 175.870 175.933 -0.063 25887 2288 1 6 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.658 1.532 25887 2289 1 6 . 1 1 141 141 LEU CB C 141 41.678 41.678 42.482 -0.804 25887 2290 1 6 . 1 1 141 141 LEU H H 141 8.569 8.569 8.038 0.531 25887 2291 1 6 . 1 1 142 142 VAL N N 142 131.573 131.573 127.757 3.816 25887 2292 1 6 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.521 0.629 25887 2293 1 6 . 1 1 142 142 VAL C C 142 174.198 174.198 176.252 -2.054 25887 2294 1 6 . 1 1 142 142 VAL CA C 142 60.583 60.583 61.890 -1.307 25887 2295 1 6 . 1 1 142 142 VAL CB C 142 33.230 33.230 30.405 2.825 25887 2296 1 6 . 1 1 142 142 VAL H H 142 9.005 9.005 7.976 1.029 25887 2297 1 6 . 1 1 143 143 THR N N 143 121.430 121.430 126.009 -4.579 25887 2298 1 6 . 1 1 143 143 THR HA H 143 4.967 4.967 4.496 0.471 25887 2299 1 6 . 1 1 143 143 THR C C 143 172.546 172.546 173.227 -0.681 25887 2300 1 6 . 1 1 143 143 THR CA C 143 61.343 61.343 62.592 -1.249 25887 2301 1 6 . 1 1 143 143 THR CB C 143 69.917 69.917 70.014 -0.097 25887 2302 1 6 . 1 1 143 143 THR H H 143 8.744 8.744 8.897 -0.153 25887 2303 1 6 . 1 1 144 144 LYS N N 144 126.310 126.310 127.441 -1.131 25887 2304 1 6 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.166 0.423 25887 2305 1 6 . 1 1 144 144 LYS C C 144 175.839 175.839 175.606 0.233 25887 2306 1 6 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.530 -0.863 25887 2307 1 6 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.317 0.260 25887 2308 1 6 . 1 1 144 144 LYS H H 144 9.397 9.397 8.405 0.992 25887 2309 1 6 . 1 1 145 145 MET N N 145 117.942 117.942 118.767 -0.825 25887 2310 1 6 . 1 1 145 145 MET HA H 145 5.058 5.058 5.086 -0.028 25887 2311 1 6 . 1 1 145 145 MET C C 145 174.454 174.454 173.722 0.732 25887 2312 1 6 . 1 1 145 145 MET CA C 145 54.843 54.843 54.504 0.339 25887 2313 1 6 . 1 1 145 145 MET CB C 145 35.827 35.827 36.346 -0.519 25887 2314 1 6 . 1 1 145 145 MET H H 145 8.729 8.729 8.436 0.293 25887 2315 1 6 . 1 1 146 146 CYS N N 146 119.031 119.031 118.510 0.521 25887 2316 1 6 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.300 0.208 25887 2317 1 6 . 1 1 146 146 CYS C C 146 175.029 175.029 174.216 0.813 25887 2318 1 6 . 1 1 146 146 CYS CA C 146 56.669 56.669 58.023 -1.354 25887 2319 1 6 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.699 15.599 25887 2320 1 6 . 1 1 146 146 CYS H H 146 8.642 8.642 8.425 0.217 25887 2321 1 6 . 1 1 147 147 HIS N N 147 120.858 120.858 119.536 1.322 25887 2322 1 6 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.696 -0.053 25887 2323 1 6 . 1 1 147 147 HIS C C 147 173.223 173.223 174.515 -1.292 25887 2324 1 6 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.332 1.269 25887 2325 1 6 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.475 0.345 25887 2326 1 6 . 1 1 147 147 HIS H H 147 9.423 9.423 8.575 0.848 25887 2327 1 6 . 1 1 148 148 ILE N N 148 125.370 125.370 121.467 3.903 25887 2328 1 6 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.206 0.164 25887 2329 1 6 . 1 1 148 148 ILE CA C 148 62.538 62.538 62.014 0.524 25887 2330 1 6 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.696 -0.600 25887 2331 1 6 . 1 1 148 148 ILE H H 148 8.374 8.374 8.074 0.300 25887 2332 1 6 . 1 1 149 149 GLY N N 149 118.093 118.093 110.612 7.481 25887 2333 1 6 . 1 1 149 149 GLY C C 149 170.853 170.853 172.483 -1.630 25887 2334 1 6 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.674 -2.133 25887 2335 1 6 . 1 1 149 149 GLY H H 149 8.367 8.367 7.720 0.647 25887 2336 1 6 . 1 1 150 150 CYS N N 150 118.529 118.529 121.116 -2.587 25887 2337 1 6 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.915 -0.097 25887 2338 1 6 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.436 -6.171 25887 2339 1 6 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.553 12.199 25887 2340 1 6 . 1 1 150 150 CYS H H 150 8.187 8.187 8.490 -0.303 25887 2341 1 6 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.512 -0.168 25887 2342 1 6 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.733 -0.305 25887 2343 1 6 . 1 1 151 151 PRO CB C 151 31.672 31.672 33.411 -1.739 25887 2344 1 6 . 1 1 152 152 ASP N N 152 117.148 117.148 120.046 -2.898 25887 2345 1 6 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.500 0.140 25887 2346 1 6 . 1 1 152 152 ASP C C 152 175.624 175.624 176.094 -0.470 25887 2347 1 6 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.127 -2.717 25887 2348 1 6 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.898 0.793 25887 2349 1 6 . 1 1 152 152 ASP H H 152 7.668 7.668 8.163 -0.495 25887 2350 1 6 . 1 1 153 153 ILE N N 153 119.719 119.719 121.344 -1.625 25887 2351 1 6 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.949 -0.036 25887 2352 1 6 . 1 1 153 153 ILE CA C 153 64.996 64.996 61.033 3.963 25887 2353 1 6 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.106 -1.112 25887 2354 1 6 . 1 1 153 153 ILE H H 153 8.327 8.327 8.163 0.164 25887 2355 1 6 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.327 0.037 25887 2356 1 6 . 1 1 154 154 PRO C C 154 178.333 178.333 178.256 0.077 25887 2357 1 6 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.605 0.398 25887 2358 1 6 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.771 -0.994 25887 2359 1 6 . 1 1 155 155 SER N N 155 112.667 112.667 115.091 -2.424 25887 2360 1 6 . 1 1 155 155 SER HA H 155 4.303 4.303 4.259 0.044 25887 2361 1 6 . 1 1 155 155 SER C C 155 175.450 175.450 175.849 -0.399 25887 2362 1 6 . 1 1 155 155 SER CA C 155 60.312 60.312 60.105 0.207 25887 2363 1 6 . 1 1 155 155 SER CB C 155 62.816 62.816 62.432 0.384 25887 2364 1 6 . 1 1 155 155 SER H H 155 7.883 7.883 8.150 -0.267 25887 2365 1 6 . 1 1 156 156 LEU N N 156 120.903 120.903 120.218 0.685 25887 2366 1 6 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.175 0.130 25887 2367 1 6 . 1 1 156 156 LEU C C 156 177.974 177.974 177.115 0.859 25887 2368 1 6 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.989 -0.473 25887 2369 1 6 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.269 -0.189 25887 2370 1 6 . 1 1 156 156 LEU H H 156 7.770 7.770 7.489 0.281 25887 2371 1 6 . 1 1 157 157 GLY N N 157 105.004 105.004 104.965 0.039 25887 2372 1 6 . 1 1 157 157 GLY C C 157 174.321 174.321 174.521 -0.200 25887 2373 1 6 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.119 1.068 25887 2374 1 6 . 1 1 157 157 GLY H H 157 7.666 7.666 7.415 0.251 25887 2375 1 6 . 1 1 158 158 LEU N N 158 119.534 119.534 116.583 2.951 25887 2376 1 6 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.712 -0.180 25887 2377 1 6 . 1 1 158 158 LEU C C 158 176.712 176.712 177.027 -0.315 25887 2378 1 6 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.221 -1.461 25887 2379 1 6 . 1 1 158 158 LEU CB C 158 42.761 42.761 43.402 -0.641 25887 2380 1 6 . 1 1 158 158 LEU H H 158 8.203 8.203 8.151 0.052 25887 2381 1 6 . 1 1 159 159 GLY N N 159 108.700 108.700 108.406 0.294 25887 2382 1 6 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.329 -0.913 25887 2383 1 6 . 1 1 159 159 GLY H H 159 8.055 8.055 7.810 0.245 25887 2384 1 6 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.354 0.022 25887 2385 1 6 . 1 1 160 160 PRO C C 160 177.112 177.112 176.147 0.965 25887 2386 1 6 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.565 -0.254 25887 2387 1 6 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.761 -0.199 25887 2388 1 6 . 1 1 161 161 TYR N N 161 119.287 119.287 118.728 0.559 25887 2389 1 6 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.558 0.260 25887 2390 1 6 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.976 -1.557 25887 2391 1 6 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.969 -1.008 25887 2392 1 6 . 1 1 161 161 TYR H H 161 8.130 8.130 7.767 0.363 25887 2393 1 6 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.283 0.450 25887 2394 1 6 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.252 -1.906 25887 2395 1 6 . 1 1 162 162 VAL CB C 162 38.408 38.408 35.292 3.116 25887 2396 1 6 . 1 1 163 163 SER N N 163 119.428 119.428 125.457 -6.029 25887 2397 1 6 . 1 1 163 163 SER HA H 163 4.788 4.788 4.789 -0.001 25887 2398 1 6 . 1 1 163 163 SER C C 163 173.141 173.141 173.444 -0.303 25887 2399 1 6 . 1 1 163 163 SER CA C 163 56.672 56.672 58.818 -2.146 25887 2400 1 6 . 1 1 163 163 SER CB C 163 64.650 64.650 63.915 0.735 25887 2401 1 6 . 1 1 163 163 SER H H 163 8.641 8.641 8.261 0.380 25887 2402 1 6 . 1 1 164 164 ILE N N 164 123.448 123.448 125.253 -1.805 25887 2403 1 6 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.940 -0.194 25887 2404 1 6 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.576 0.053 25887 2405 1 6 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.906 0.405 25887 2406 1 6 . 1 1 164 164 ILE H H 164 8.496 8.496 8.558 -0.062 25887 2407 1 6 . 1 1 165 165 ALA N N 165 129.783 129.783 130.933 -1.150 25887 2408 1 6 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.847 0.023 25887 2409 1 6 . 1 1 165 165 ALA C C 165 176.219 176.219 175.343 0.876 25887 2410 1 6 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.900 -0.120 25887 2411 1 6 . 1 1 165 165 ALA CB C 165 21.348 21.348 21.395 -0.047 25887 2412 1 6 . 1 1 165 165 ALA H H 165 8.941 8.941 8.753 0.188 25887 2413 1 6 . 1 1 166 166 CYS N N 166 119.842 119.842 120.449 -0.607 25887 2414 1 6 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.592 -0.040 25887 2415 1 6 . 1 1 166 166 CYS C C 166 172.289 172.289 174.895 -2.606 25887 2416 1 6 . 1 1 166 166 CYS CA C 166 53.119 53.119 56.994 -3.875 25887 2417 1 6 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.623 19.203 25887 2418 1 6 . 1 1 166 166 CYS H H 166 9.049 9.049 8.475 0.574 25887 2419 1 6 . 1 1 167 167 CYS N N 167 118.569 118.569 118.904 -0.335 25887 2420 1 6 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.843 0.393 25887 2421 1 6 . 1 1 167 167 CYS C C 167 173.562 173.562 173.344 0.218 25887 2422 1 6 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.408 -3.267 25887 2423 1 6 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.210 15.253 25887 2424 1 6 . 1 1 167 167 CYS H H 167 9.297 9.297 9.018 0.279 25887 2425 1 6 . 1 1 168 168 GLN N N 168 118.916 118.916 120.054 -1.138 25887 2426 1 6 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.523 0.307 25887 2427 1 6 . 1 1 168 168 GLN C C 168 174.362 174.362 174.616 -0.254 25887 2428 1 6 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.495 0.490 25887 2429 1 6 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.277 4.411 25887 2430 1 6 . 1 1 168 168 GLN H H 168 9.105 9.105 8.653 0.452 25887 2431 1 6 . 1 1 169 169 THR N N 169 110.926 110.926 113.102 -2.176 25887 2432 1 6 . 1 1 169 169 THR HA H 169 4.813 4.813 4.517 0.296 25887 2433 1 6 . 1 1 169 169 THR C C 169 173.859 173.859 174.066 -0.207 25887 2434 1 6 . 1 1 169 169 THR CA C 169 60.038 60.038 60.226 -0.188 25887 2435 1 6 . 1 1 169 169 THR CB C 169 71.377 71.377 71.812 -0.436 25887 2436 1 6 . 1 1 169 169 THR H H 169 7.540 7.540 7.464 0.076 25887 2437 1 6 . 1 1 170 170 SER N N 170 117.386 117.386 120.043 -2.657 25887 2438 1 6 . 1 1 170 170 SER HA H 170 4.850 4.850 4.299 0.551 25887 2439 1 6 . 1 1 170 170 SER C C 170 175.757 175.757 175.359 0.398 25887 2440 1 6 . 1 1 170 170 SER CA C 170 60.987 60.987 59.083 1.904 25887 2441 1 6 . 1 1 170 170 SER CB C 170 63.104 63.104 63.355 -0.251 25887 2442 1 6 . 1 1 170 170 SER H H 170 8.814 8.814 8.573 0.241 25887 2443 1 6 . 1 1 171 171 LEU N N 171 116.724 116.724 118.025 -1.301 25887 2444 1 6 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.741 -0.081 25887 2445 1 6 . 1 1 171 171 LEU C C 171 176.055 176.055 177.172 -1.117 25887 2446 1 6 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.496 0.529 25887 2447 1 6 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.726 -1.438 25887 2448 1 6 . 1 1 171 171 LEU H H 171 9.570 9.570 8.552 1.018 25887 2449 1 6 . 1 1 172 172 CYS N N 172 113.842 113.842 114.088 -0.246 25887 2450 1 6 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.553 0.061 25887 2451 1 6 . 1 1 172 172 CYS C C 172 174.424 174.424 174.700 -0.276 25887 2452 1 6 . 1 1 172 172 CYS CA C 172 57.810 57.810 58.026 -0.216 25887 2453 1 6 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.855 19.715 25887 2454 1 6 . 1 1 172 172 CYS H H 172 8.221 8.221 7.825 0.396 25887 2455 1 6 . 1 1 173 173 ASN N N 173 121.019 121.019 117.480 3.539 25887 2456 1 6 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.911 -0.154 25887 2457 1 6 . 1 1 173 173 ASN C C 173 174.239 174.239 175.743 -1.504 25887 2458 1 6 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.334 -1.569 25887 2459 1 6 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.842 -3.441 25887 2460 1 6 . 1 1 173 173 ASN H H 173 8.458 8.458 8.203 0.255 25887 2461 1 6 . 1 1 174 174 HIS N N 174 115.973 115.973 118.285 -2.312 25887 2462 1 6 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.684 -0.372 25887 2463 1 6 . 1 1 174 174 HIS C C 174 173.213 173.213 174.235 -1.022 25887 2464 1 6 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.097 -1.253 25887 2465 1 6 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.705 -1.595 25887 2466 1 6 . 1 1 174 174 HIS H H 174 7.170 7.170 7.802 -0.632 25887 2467 1 7 . 1 1 101 101 ILE N N 101 123.543 123.543 117.843 5.700 25887 2468 1 7 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.957 -0.349 25887 2469 1 7 . 1 1 101 101 ILE C C 101 172.659 172.659 173.874 -1.215 25887 2470 1 7 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.063 0.591 25887 2471 1 7 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.357 -0.056 25887 2472 1 7 . 1 1 101 101 ILE H H 101 8.681 8.681 7.783 0.898 25887 2473 1 7 . 1 1 102 102 TRP N N 102 123.817 123.817 122.145 1.672 25887 2474 1 7 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.002 0.096 25887 2475 1 7 . 1 1 102 102 TRP C C 102 175.757 175.757 175.828 -0.071 25887 2476 1 7 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.165 -0.386 25887 2477 1 7 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.253 -0.047 25887 2478 1 7 . 1 1 102 102 TRP H H 102 8.008 8.008 8.564 -0.556 25887 2479 1 7 . 1 1 103 103 CYS N N 103 116.424 116.424 119.866 -3.442 25887 2480 1 7 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.850 0.245 25887 2481 1 7 . 1 1 103 103 CYS C C 103 175.070 175.070 172.893 2.177 25887 2482 1 7 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.456 -5.445 25887 2483 1 7 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.206 10.738 25887 2484 1 7 . 1 1 103 103 CYS H H 103 8.481 8.481 8.881 -0.400 25887 2485 1 7 . 1 1 104 104 HIS N N 104 123.159 123.159 118.130 5.029 25887 2486 1 7 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.126 -0.530 25887 2487 1 7 . 1 1 104 104 HIS C C 104 176.075 176.075 175.125 0.950 25887 2488 1 7 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.742 2.991 25887 2489 1 7 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.193 0.791 25887 2490 1 7 . 1 1 104 104 HIS H H 104 9.364 9.364 8.644 0.720 25887 2491 1 7 . 1 1 105 105 GLN N N 105 123.570 123.570 123.289 0.281 25887 2492 1 7 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.824 0.154 25887 2493 1 7 . 1 1 105 105 GLN C C 105 173.623 173.623 174.984 -1.361 25887 2494 1 7 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.126 -0.757 25887 2495 1 7 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.589 1.193 25887 2496 1 7 . 1 1 105 105 GLN H H 105 8.108 8.108 8.216 -0.108 25887 2497 1 7 . 1 1 106 106 CYS N N 106 118.604 118.604 119.132 -0.528 25887 2498 1 7 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.935 0.016 25887 2499 1 7 . 1 1 106 106 CYS C C 106 171.120 171.120 176.612 -5.492 25887 2500 1 7 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.602 -4.695 25887 2501 1 7 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.021 11.618 25887 2502 1 7 . 1 1 106 106 CYS H H 106 8.458 8.458 8.255 0.203 25887 2503 1 7 . 1 1 107 107 THR N N 107 113.541 113.541 118.395 -4.854 25887 2504 1 7 . 1 1 107 107 THR HA H 107 5.500 5.500 4.172 1.328 25887 2505 1 7 . 1 1 107 107 THR C C 107 173.592 173.592 174.508 -0.916 25887 2506 1 7 . 1 1 107 107 THR CA C 107 60.161 60.161 65.168 -5.007 25887 2507 1 7 . 1 1 107 107 THR CB C 107 71.879 71.879 69.373 2.506 25887 2508 1 7 . 1 1 107 107 THR H H 107 8.400 8.400 8.981 -0.581 25887 2509 1 7 . 1 1 108 108 GLY N N 108 110.549 110.549 107.756 2.793 25887 2510 1 7 . 1 1 108 108 GLY C C 108 171.694 171.694 172.379 -0.685 25887 2511 1 7 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.748 0.700 25887 2512 1 7 . 1 1 108 108 GLY H H 108 8.817 8.817 7.414 1.403 25887 2513 1 7 . 1 1 109 109 PHE N N 109 120.830 120.830 123.807 -2.977 25887 2514 1 7 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.763 0.361 25887 2515 1 7 . 1 1 109 109 PHE C C 109 177.225 177.225 175.274 1.951 25887 2516 1 7 . 1 1 109 109 PHE CA C 109 58.438 58.438 56.691 1.746 25887 2517 1 7 . 1 1 109 109 PHE CB C 109 38.408 38.408 39.535 -1.127 25887 2518 1 7 . 1 1 109 109 PHE H H 109 8.924 8.924 7.716 1.208 25887 2519 1 7 . 1 1 110 110 GLY N N 110 113.069 113.069 109.788 3.281 25887 2520 1 7 . 1 1 110 110 GLY C C 110 172.546 172.546 175.385 -2.839 25887 2521 1 7 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.379 0.329 25887 2522 1 7 . 1 1 110 110 GLY H H 110 9.442 9.442 8.023 1.419 25887 2523 1 7 . 1 1 111 111 GLY N N 111 106.335 106.335 107.182 -0.847 25887 2524 1 7 . 1 1 111 111 GLY C C 111 171.664 171.664 175.236 -3.572 25887 2525 1 7 . 1 1 111 111 GLY CA C 111 44.256 44.256 45.216 -0.960 25887 2526 1 7 . 1 1 111 111 GLY H H 111 7.095 7.095 8.427 -1.332 25887 2527 1 7 . 1 1 112 112 CYS N N 112 111.804 111.804 115.794 -3.990 25887 2528 1 7 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.292 0.464 25887 2529 1 7 . 1 1 112 112 CYS C C 112 171.027 171.027 174.078 -3.051 25887 2530 1 7 . 1 1 112 112 CYS CA C 112 56.123 56.123 57.444 -1.321 25887 2531 1 7 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.447 14.344 25887 2532 1 7 . 1 1 112 112 CYS H H 112 8.477 8.477 8.068 0.409 25887 2533 1 7 . 1 1 113 113 SER N N 113 116.083 116.083 116.517 -0.434 25887 2534 1 7 . 1 1 113 113 SER HA H 113 4.603 4.603 4.113 0.490 25887 2535 1 7 . 1 1 113 113 SER C C 113 174.536 174.536 172.692 1.844 25887 2536 1 7 . 1 1 113 113 SER CA C 113 56.493 56.493 57.293 -0.800 25887 2537 1 7 . 1 1 113 113 SER CB C 113 65.160 65.160 65.070 0.090 25887 2538 1 7 . 1 1 113 113 SER H H 113 8.693 8.693 8.174 0.519 25887 2539 1 7 . 1 1 114 114 HIS N N 114 126.668 126.668 119.651 7.017 25887 2540 1 7 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.692 -0.124 25887 2541 1 7 . 1 1 114 114 HIS C C 114 172.515 172.515 175.043 -2.528 25887 2542 1 7 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.133 0.754 25887 2543 1 7 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.647 -5.371 25887 2544 1 7 . 1 1 114 114 HIS H H 114 11.587 11.587 8.066 3.521 25887 2545 1 7 . 1 1 115 115 GLY N N 115 119.128 119.128 111.368 7.760 25887 2546 1 7 . 1 1 115 115 GLY C C 115 173.018 173.018 174.240 -1.222 25887 2547 1 7 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.863 0.594 25887 2548 1 7 . 1 1 115 115 GLY H H 115 9.361 9.361 8.846 0.515 25887 2549 1 7 . 1 1 116 116 SER N N 116 118.656 118.656 120.468 -1.812 25887 2550 1 7 . 1 1 116 116 SER HA H 116 4.451 4.451 4.766 -0.315 25887 2551 1 7 . 1 1 116 116 SER C C 116 171.848 171.848 173.127 -1.279 25887 2552 1 7 . 1 1 116 116 SER CA C 116 57.256 57.256 57.359 -0.103 25887 2553 1 7 . 1 1 116 116 SER CB C 116 64.697 64.697 67.034 -2.337 25887 2554 1 7 . 1 1 116 116 SER H H 116 8.151 8.151 9.076 -0.925 25887 2555 1 7 . 1 1 117 117 ARG N N 117 124.682 124.682 122.916 1.766 25887 2556 1 7 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.384 -0.430 25887 2557 1 7 . 1 1 117 117 ARG C C 117 176.671 176.671 175.869 0.802 25887 2558 1 7 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.956 0.799 25887 2559 1 7 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.756 0.361 25887 2560 1 7 . 1 1 117 117 ARG H H 117 7.629 7.629 8.114 -0.485 25887 2561 1 7 . 1 1 118 118 CYS N N 118 122.932 122.932 124.846 -1.914 25887 2562 1 7 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.247 0.627 25887 2563 1 7 . 1 1 118 118 CYS C C 118 174.577 174.577 174.811 -0.234 25887 2564 1 7 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.607 -6.611 25887 2565 1 7 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.606 11.691 25887 2566 1 7 . 1 1 118 118 CYS H H 118 7.852 7.852 7.780 0.072 25887 2567 1 7 . 1 1 119 119 LEU N N 119 120.027 120.027 123.120 -3.093 25887 2568 1 7 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.165 0.137 25887 2569 1 7 . 1 1 119 119 LEU C C 119 178.394 178.394 178.588 -0.194 25887 2570 1 7 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.605 0.611 25887 2571 1 7 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.620 -0.929 25887 2572 1 7 . 1 1 119 119 LEU H H 119 7.980 7.980 8.502 -0.522 25887 2573 1 7 . 1 1 120 120 ARG N N 120 120.159 120.159 121.519 -1.360 25887 2574 1 7 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.947 0.091 25887 2575 1 7 . 1 1 120 120 ARG C C 120 175.624 175.624 176.339 -0.715 25887 2576 1 7 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.627 -0.211 25887 2577 1 7 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.633 0.355 25887 2578 1 7 . 1 1 120 120 ARG H H 120 8.523 8.523 8.626 -0.103 25887 2579 1 7 . 1 1 121 121 ASP N N 121 115.199 115.199 118.090 -2.891 25887 2580 1 7 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.492 0.038 25887 2581 1 7 . 1 1 121 121 ASP C C 121 175.593 175.593 176.062 -0.469 25887 2582 1 7 . 1 1 121 121 ASP CA C 121 54.424 54.424 54.843 -0.418 25887 2583 1 7 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.739 -0.705 25887 2584 1 7 . 1 1 121 121 ASP H H 121 8.252 8.252 8.142 0.110 25887 2585 1 7 . 1 1 122 122 SER N N 122 114.383 114.383 114.498 -0.115 25887 2586 1 7 . 1 1 122 122 SER HA H 122 4.124 4.124 4.194 -0.070 25887 2587 1 7 . 1 1 122 122 SER C C 122 173.264 173.264 174.622 -1.358 25887 2588 1 7 . 1 1 122 122 SER CA C 122 60.703 60.703 59.934 0.769 25887 2589 1 7 . 1 1 122 122 SER CB C 122 62.879 62.879 63.261 -0.382 25887 2590 1 7 . 1 1 122 122 SER H H 122 7.612 7.612 7.967 -0.355 25887 2591 1 7 . 1 1 123 123 THR N N 123 111.852 111.852 119.895 -8.043 25887 2592 1 7 . 1 1 123 123 THR HA H 123 4.519 4.519 4.441 0.078 25887 2593 1 7 . 1 1 123 123 THR C C 123 173.356 173.356 173.422 -0.066 25887 2594 1 7 . 1 1 123 123 THR CA C 123 61.888 61.888 60.604 1.284 25887 2595 1 7 . 1 1 123 123 THR CB C 123 70.830 70.830 69.891 0.938 25887 2596 1 7 . 1 1 123 123 THR H H 123 8.413 8.413 8.254 0.159 25887 2597 1 7 . 1 1 124 124 HIS N N 124 120.615 120.615 117.817 2.798 25887 2598 1 7 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.926 0.230 25887 2599 1 7 . 1 1 124 124 HIS C C 124 174.177 174.177 173.801 0.376 25887 2600 1 7 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.119 1.881 25887 2601 1 7 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.367 1.377 25887 2602 1 7 . 1 1 124 124 HIS H H 124 8.630 8.630 7.626 1.004 25887 2603 1 7 . 1 1 125 125 CYS N N 125 115.755 115.755 118.326 -2.571 25887 2604 1 7 . 1 1 125 125 CYS HA H 125 5.716 5.716 4.749 0.967 25887 2605 1 7 . 1 1 125 125 CYS C C 125 174.906 174.906 173.472 1.434 25887 2606 1 7 . 1 1 125 125 CYS CA C 125 52.172 52.172 58.419 -6.247 25887 2607 1 7 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.562 6.922 25887 2608 1 7 . 1 1 125 125 CYS H H 125 9.102 9.102 8.493 0.609 25887 2609 1 7 . 1 1 126 126 VAL N N 126 121.353 121.353 119.589 1.764 25887 2610 1 7 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.471 0.728 25887 2611 1 7 . 1 1 126 126 VAL C C 126 176.004 176.004 174.653 1.351 25887 2612 1 7 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.970 -0.415 25887 2613 1 7 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.507 0.098 25887 2614 1 7 . 1 1 126 126 VAL H H 126 9.077 9.077 8.873 0.203 25887 2615 1 7 . 1 1 127 127 THR N N 127 125.497 125.497 121.657 3.840 25887 2616 1 7 . 1 1 127 127 THR HA H 127 5.192 5.192 4.835 0.357 25887 2617 1 7 . 1 1 127 127 THR C C 127 173.510 173.510 173.423 0.087 25887 2618 1 7 . 1 1 127 127 THR CA C 127 61.909 61.909 61.444 0.465 25887 2619 1 7 . 1 1 127 127 THR CB C 127 71.018 71.018 70.252 0.766 25887 2620 1 7 . 1 1 127 127 THR H H 127 9.031 9.031 8.704 0.327 25887 2621 1 7 . 1 1 128 128 THR N N 128 121.196 121.196 118.760 2.436 25887 2622 1 7 . 1 1 128 128 THR HA H 128 5.500 5.500 5.234 0.266 25887 2623 1 7 . 1 1 128 128 THR C C 128 172.228 172.228 173.035 -0.807 25887 2624 1 7 . 1 1 128 128 THR CA C 128 59.004 59.004 59.714 -0.710 25887 2625 1 7 . 1 1 128 128 THR CB C 128 70.306 70.306 70.360 -0.054 25887 2626 1 7 . 1 1 128 128 THR H H 128 9.625 9.625 8.369 1.256 25887 2627 1 7 . 1 1 129 129 ALA N N 129 124.169 124.169 129.751 -5.582 25887 2628 1 7 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.712 0.788 25887 2629 1 7 . 1 1 129 129 ALA C C 129 176.424 176.424 176.168 0.256 25887 2630 1 7 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.436 0.059 25887 2631 1 7 . 1 1 129 129 ALA CB C 129 21.348 21.348 19.795 1.553 25887 2632 1 7 . 1 1 129 129 ALA H H 129 8.539 8.539 8.459 0.080 25887 2633 1 7 . 1 1 130 130 THR N N 130 116.687 116.687 118.946 -2.259 25887 2634 1 7 . 1 1 130 130 THR HA H 130 4.890 4.890 4.679 0.211 25887 2635 1 7 . 1 1 130 130 THR C C 130 172.854 172.854 174.212 -1.358 25887 2636 1 7 . 1 1 130 130 THR CA C 130 60.678 60.678 60.170 0.508 25887 2637 1 7 . 1 1 130 130 THR CB C 130 70.352 70.352 71.266 -0.914 25887 2638 1 7 . 1 1 130 130 THR H H 130 8.636 8.636 7.952 0.684 25887 2639 1 7 . 1 1 131 131 ARG N N 131 124.260 124.260 128.575 -4.315 25887 2640 1 7 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.352 0.298 25887 2641 1 7 . 1 1 131 131 ARG C C 131 175.603 175.603 174.783 0.820 25887 2642 1 7 . 1 1 131 131 ARG CA C 131 55.458 55.458 57.432 -1.974 25887 2643 1 7 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.170 -0.415 25887 2644 1 7 . 1 1 131 131 ARG H H 131 8.540 8.540 8.811 -0.271 25887 2645 1 7 . 1 1 132 132 VAL N N 132 121.349 121.349 119.990 1.359 25887 2646 1 7 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.215 0.017 25887 2647 1 7 . 1 1 132 132 VAL C C 132 175.727 175.727 175.355 0.372 25887 2648 1 7 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.711 0.124 25887 2649 1 7 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.944 -0.308 25887 2650 1 7 . 1 1 132 132 VAL H H 132 8.430 8.430 8.407 0.023 25887 2651 1 7 . 1 1 133 133 LEU N N 133 124.364 124.364 128.004 -3.640 25887 2652 1 7 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.254 0.198 25887 2653 1 7 . 1 1 133 133 LEU C C 133 176.753 176.753 176.970 -0.217 25887 2654 1 7 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.230 -1.482 25887 2655 1 7 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.435 -0.562 25887 2656 1 7 . 1 1 133 133 LEU H H 133 8.246 8.246 8.436 -0.190 25887 2657 1 7 . 1 1 134 134 SER N N 134 114.791 114.791 114.644 0.147 25887 2658 1 7 . 1 1 134 134 SER HA H 134 4.490 4.490 4.382 0.108 25887 2659 1 7 . 1 1 134 134 SER C C 134 173.900 173.900 175.467 -1.567 25887 2660 1 7 . 1 1 134 134 SER CA C 134 57.970 57.970 58.997 -1.027 25887 2661 1 7 . 1 1 134 134 SER CB C 134 63.375 63.375 63.256 0.119 25887 2662 1 7 . 1 1 134 134 SER H H 134 8.078 8.078 7.795 0.283 25887 2663 1 7 . 1 1 135 135 ASN N N 135 119.634 119.634 124.725 -5.091 25887 2664 1 7 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.532 0.245 25887 2665 1 7 . 1 1 135 135 ASN C C 135 175.337 175.337 175.785 -0.448 25887 2666 1 7 . 1 1 135 135 ASN CA C 135 53.070 53.070 55.043 -1.973 25887 2667 1 7 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.379 -0.033 25887 2668 1 7 . 1 1 135 135 ASN H H 135 8.287 8.287 9.051 -0.764 25887 2669 1 7 . 1 1 136 136 THR N N 136 112.097 112.097 109.915 2.182 25887 2670 1 7 . 1 1 136 136 THR HA H 136 4.311 4.311 4.202 0.109 25887 2671 1 7 . 1 1 136 136 THR C C 136 174.280 174.280 174.420 -0.140 25887 2672 1 7 . 1 1 136 136 THR CA C 136 62.131 62.131 63.658 -1.527 25887 2673 1 7 . 1 1 136 136 THR CB C 136 69.106 69.106 69.096 0.010 25887 2674 1 7 . 1 1 136 136 THR H H 136 8.085 8.085 7.810 0.275 25887 2675 1 7 . 1 1 137 137 GLU N N 137 120.207 120.207 121.124 -0.917 25887 2676 1 7 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.581 -0.217 25887 2677 1 7 . 1 1 137 137 GLU C C 137 175.296 175.296 175.632 -0.336 25887 2678 1 7 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.657 0.097 25887 2679 1 7 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.349 -3.159 25887 2680 1 7 . 1 1 137 137 GLU H H 137 8.035 8.035 7.552 0.483 25887 2681 1 7 . 1 1 138 138 ASP N N 138 119.742 119.742 124.340 -4.598 25887 2682 1 7 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.448 0.157 25887 2683 1 7 . 1 1 138 138 ASP C C 138 174.978 174.978 176.215 -1.237 25887 2684 1 7 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.040 -1.160 25887 2685 1 7 . 1 1 138 138 ASP CB C 138 40.235 40.235 40.935 -0.700 25887 2686 1 7 . 1 1 138 138 ASP H H 138 8.097 8.097 8.664 -0.567 25887 2687 1 7 . 1 1 139 139 LEU N N 139 121.008 121.008 118.668 2.340 25887 2688 1 7 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.725 0.052 25887 2689 1 7 . 1 1 139 139 LEU CA C 139 52.011 52.011 51.828 0.183 25887 2690 1 7 . 1 1 139 139 LEU CB C 139 42.693 42.693 40.516 2.177 25887 2691 1 7 . 1 1 139 139 LEU H H 139 8.021 8.021 7.619 0.402 25887 2692 1 7 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.382 0.252 25887 2693 1 7 . 1 1 140 140 PRO C C 140 175.419 175.419 175.654 -0.235 25887 2694 1 7 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.418 -0.355 25887 2695 1 7 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.837 -0.947 25887 2696 1 7 . 1 1 141 141 LEU N N 141 123.715 123.715 121.262 2.453 25887 2697 1 7 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.594 -0.418 25887 2698 1 7 . 1 1 141 141 LEU C C 141 175.870 175.870 175.902 -0.032 25887 2699 1 7 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.410 1.780 25887 2700 1 7 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.319 -1.641 25887 2701 1 7 . 1 1 141 141 LEU H H 141 8.569 8.569 8.287 0.282 25887 2702 1 7 . 1 1 142 142 VAL N N 142 131.573 131.573 128.751 2.822 25887 2703 1 7 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.302 0.848 25887 2704 1 7 . 1 1 142 142 VAL C C 142 174.198 174.198 175.735 -1.537 25887 2705 1 7 . 1 1 142 142 VAL CA C 142 60.583 60.583 61.978 -1.395 25887 2706 1 7 . 1 1 142 142 VAL CB C 142 33.230 33.230 31.637 1.593 25887 2707 1 7 . 1 1 142 142 VAL H H 142 9.005 9.005 8.332 0.673 25887 2708 1 7 . 1 1 143 143 THR N N 143 121.430 121.430 126.086 -4.656 25887 2709 1 7 . 1 1 143 143 THR HA H 143 4.967 4.967 4.625 0.342 25887 2710 1 7 . 1 1 143 143 THR C C 143 172.546 172.546 174.115 -1.569 25887 2711 1 7 . 1 1 143 143 THR CA C 143 61.343 61.343 62.957 -1.614 25887 2712 1 7 . 1 1 143 143 THR CB C 143 69.917 69.917 68.729 1.188 25887 2713 1 7 . 1 1 143 143 THR H H 143 8.744 8.744 8.772 -0.028 25887 2714 1 7 . 1 1 144 144 LYS N N 144 126.310 126.310 129.226 -2.916 25887 2715 1 7 . 1 1 144 144 LYS HA H 144 5.589 5.589 4.889 0.700 25887 2716 1 7 . 1 1 144 144 LYS C C 144 175.839 175.839 175.815 0.024 25887 2717 1 7 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.293 -0.626 25887 2718 1 7 . 1 1 144 144 LYS CB C 144 35.577 35.577 33.715 1.862 25887 2719 1 7 . 1 1 144 144 LYS H H 144 9.397 9.397 8.260 1.137 25887 2720 1 7 . 1 1 145 145 MET N N 145 117.942 117.942 123.046 -5.104 25887 2721 1 7 . 1 1 145 145 MET HA H 145 5.058 5.058 4.855 0.203 25887 2722 1 7 . 1 1 145 145 MET C C 145 174.454 174.454 173.207 1.247 25887 2723 1 7 . 1 1 145 145 MET CA C 145 54.843 54.843 54.711 0.132 25887 2724 1 7 . 1 1 145 145 MET CB C 145 35.827 35.827 36.518 -0.691 25887 2725 1 7 . 1 1 145 145 MET H H 145 8.729 8.729 8.903 -0.174 25887 2726 1 7 . 1 1 146 146 CYS N N 146 119.031 119.031 121.525 -2.494 25887 2727 1 7 . 1 1 146 146 CYS HA H 146 5.508 5.508 4.869 0.639 25887 2728 1 7 . 1 1 146 146 CYS C C 146 175.029 175.029 173.993 1.036 25887 2729 1 7 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.899 -1.230 25887 2730 1 7 . 1 1 146 146 CYS CB C 146 46.298 46.298 28.459 17.839 25887 2731 1 7 . 1 1 146 146 CYS H H 146 8.642 8.642 8.603 0.039 25887 2732 1 7 . 1 1 147 147 HIS N N 147 120.858 120.858 119.310 1.548 25887 2733 1 7 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.778 -0.135 25887 2734 1 7 . 1 1 147 147 HIS C C 147 173.223 173.223 173.251 -0.028 25887 2735 1 7 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.563 2.038 25887 2736 1 7 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.987 -0.168 25887 2737 1 7 . 1 1 147 147 HIS H H 147 9.423 9.423 9.103 0.320 25887 2738 1 7 . 1 1 148 148 ILE N N 148 125.370 125.370 121.369 4.001 25887 2739 1 7 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.188 0.182 25887 2740 1 7 . 1 1 148 148 ILE CA C 148 62.538 62.538 60.219 2.319 25887 2741 1 7 . 1 1 148 148 ILE CB C 148 36.096 36.096 35.072 1.024 25887 2742 1 7 . 1 1 148 148 ILE H H 148 8.374 8.374 8.039 0.335 25887 2743 1 7 . 1 1 149 149 GLY N N 149 118.093 118.093 112.035 6.058 25887 2744 1 7 . 1 1 149 149 GLY C C 149 170.853 170.853 172.345 -1.492 25887 2745 1 7 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.367 -1.826 25887 2746 1 7 . 1 1 149 149 GLY H H 149 8.367 8.367 7.963 0.404 25887 2747 1 7 . 1 1 150 150 CYS N N 150 118.529 118.529 121.013 -2.484 25887 2748 1 7 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.909 -0.091 25887 2749 1 7 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.538 -6.273 25887 2750 1 7 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.538 12.214 25887 2751 1 7 . 1 1 150 150 CYS H H 150 8.187 8.187 8.601 -0.414 25887 2752 1 7 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.628 -0.284 25887 2753 1 7 . 1 1 151 151 PRO CA C 151 62.428 62.428 63.290 -0.862 25887 2754 1 7 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.885 -1.213 25887 2755 1 7 . 1 1 152 152 ASP N N 152 117.148 117.148 120.042 -2.894 25887 2756 1 7 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.691 -0.051 25887 2757 1 7 . 1 1 152 152 ASP C C 152 175.624 175.624 175.807 -0.183 25887 2758 1 7 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.474 -2.064 25887 2759 1 7 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.112 0.579 25887 2760 1 7 . 1 1 152 152 ASP H H 152 7.668 7.668 8.245 -0.577 25887 2761 1 7 . 1 1 153 153 ILE N N 153 119.719 119.719 122.801 -3.082 25887 2762 1 7 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.002 -0.089 25887 2763 1 7 . 1 1 153 153 ILE CA C 153 64.996 64.996 60.752 4.244 25887 2764 1 7 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.058 -2.064 25887 2765 1 7 . 1 1 153 153 ILE H H 153 8.327 8.327 7.717 0.610 25887 2766 1 7 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.339 0.025 25887 2767 1 7 . 1 1 154 154 PRO C C 154 178.333 178.333 178.363 -0.030 25887 2768 1 7 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.437 0.566 25887 2769 1 7 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.847 -1.070 25887 2770 1 7 . 1 1 155 155 SER N N 155 112.667 112.667 113.782 -1.115 25887 2771 1 7 . 1 1 155 155 SER HA H 155 4.303 4.303 4.261 0.042 25887 2772 1 7 . 1 1 155 155 SER C C 155 175.450 175.450 175.732 -0.282 25887 2773 1 7 . 1 1 155 155 SER CA C 155 60.312 60.312 59.906 0.406 25887 2774 1 7 . 1 1 155 155 SER CB C 155 62.816 62.816 62.820 -0.004 25887 2775 1 7 . 1 1 155 155 SER H H 155 7.883 7.883 8.109 -0.226 25887 2776 1 7 . 1 1 156 156 LEU N N 156 120.903 120.903 120.669 0.234 25887 2777 1 7 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.112 0.193 25887 2778 1 7 . 1 1 156 156 LEU C C 156 177.974 177.974 176.879 1.095 25887 2779 1 7 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.123 -0.607 25887 2780 1 7 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.380 -0.300 25887 2781 1 7 . 1 1 156 156 LEU H H 156 7.770 7.770 7.435 0.335 25887 2782 1 7 . 1 1 157 157 GLY N N 157 105.004 105.004 103.300 1.704 25887 2783 1 7 . 1 1 157 157 GLY C C 157 174.321 174.321 173.819 0.502 25887 2784 1 7 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.880 1.307 25887 2785 1 7 . 1 1 157 157 GLY H H 157 7.666 7.666 7.396 0.270 25887 2786 1 7 . 1 1 158 158 LEU N N 158 119.534 119.534 121.035 -1.501 25887 2787 1 7 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.521 0.011 25887 2788 1 7 . 1 1 158 158 LEU C C 158 176.712 176.712 177.586 -0.874 25887 2789 1 7 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.126 -1.365 25887 2790 1 7 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.505 0.256 25887 2791 1 7 . 1 1 158 158 LEU H H 158 8.203 8.203 8.299 -0.096 25887 2792 1 7 . 1 1 159 159 GLY N N 159 108.700 108.700 105.033 3.667 25887 2793 1 7 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.300 -0.884 25887 2794 1 7 . 1 1 159 159 GLY H H 159 8.055 8.055 8.058 -0.003 25887 2795 1 7 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.211 0.165 25887 2796 1 7 . 1 1 160 160 PRO C C 160 177.112 177.112 175.979 1.133 25887 2797 1 7 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.690 -0.379 25887 2798 1 7 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.866 -0.304 25887 2799 1 7 . 1 1 161 161 TYR N N 161 119.287 119.287 118.929 0.358 25887 2800 1 7 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.782 0.036 25887 2801 1 7 . 1 1 161 161 TYR CA C 161 56.419 56.419 56.616 -0.197 25887 2802 1 7 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.830 -1.869 25887 2803 1 7 . 1 1 161 161 TYR H H 161 8.130 8.130 8.014 0.116 25887 2804 1 7 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.286 0.447 25887 2805 1 7 . 1 1 162 162 VAL CA C 162 60.346 60.346 61.660 -1.314 25887 2806 1 7 . 1 1 162 162 VAL CB C 162 38.408 38.408 36.030 2.378 25887 2807 1 7 . 1 1 163 163 SER N N 163 119.428 119.428 120.704 -1.276 25887 2808 1 7 . 1 1 163 163 SER HA H 163 4.788 4.788 4.815 -0.027 25887 2809 1 7 . 1 1 163 163 SER C C 163 173.141 173.141 173.216 -0.075 25887 2810 1 7 . 1 1 163 163 SER CA C 163 56.672 56.672 57.401 -0.729 25887 2811 1 7 . 1 1 163 163 SER CB C 163 64.650 64.650 64.149 0.501 25887 2812 1 7 . 1 1 163 163 SER H H 163 8.641 8.641 8.287 0.354 25887 2813 1 7 . 1 1 164 164 ILE N N 164 123.448 123.448 125.258 -1.810 25887 2814 1 7 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.799 -0.053 25887 2815 1 7 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.535 0.094 25887 2816 1 7 . 1 1 164 164 ILE CB C 164 41.311 41.311 41.534 -0.223 25887 2817 1 7 . 1 1 164 164 ILE H H 164 8.496 8.496 8.484 0.012 25887 2818 1 7 . 1 1 165 165 ALA N N 165 129.783 129.783 130.377 -0.594 25887 2819 1 7 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.816 0.054 25887 2820 1 7 . 1 1 165 165 ALA C C 165 176.219 176.219 175.551 0.668 25887 2821 1 7 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.027 -0.247 25887 2822 1 7 . 1 1 165 165 ALA CB C 165 21.348 21.348 21.034 0.314 25887 2823 1 7 . 1 1 165 165 ALA H H 165 8.941 8.941 8.992 -0.051 25887 2824 1 7 . 1 1 166 166 CYS N N 166 119.842 119.842 120.723 -0.881 25887 2825 1 7 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.375 0.177 25887 2826 1 7 . 1 1 166 166 CYS C C 166 172.289 172.289 174.870 -2.581 25887 2827 1 7 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.195 -4.076 25887 2828 1 7 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.401 19.425 25887 2829 1 7 . 1 1 166 166 CYS H H 166 9.049 9.049 8.484 0.565 25887 2830 1 7 . 1 1 167 167 CYS N N 167 118.569 118.569 118.163 0.406 25887 2831 1 7 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.738 0.498 25887 2832 1 7 . 1 1 167 167 CYS C C 167 173.562 173.562 173.213 0.349 25887 2833 1 7 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.407 -3.266 25887 2834 1 7 . 1 1 167 167 CYS CB C 167 45.463 45.463 29.962 15.501 25887 2835 1 7 . 1 1 167 167 CYS H H 167 9.297 9.297 8.892 0.405 25887 2836 1 7 . 1 1 168 168 GLN N N 168 118.916 118.916 120.762 -1.846 25887 2837 1 7 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.404 0.426 25887 2838 1 7 . 1 1 168 168 GLN C C 168 174.362 174.362 174.730 -0.368 25887 2839 1 7 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.353 0.632 25887 2840 1 7 . 1 1 168 168 GLN CB C 168 31.688 31.688 26.559 5.129 25887 2841 1 7 . 1 1 168 168 GLN H H 168 9.105 9.105 8.490 0.615 25887 2842 1 7 . 1 1 169 169 THR N N 169 110.926 110.926 111.687 -0.761 25887 2843 1 7 . 1 1 169 169 THR HA H 169 4.813 4.813 4.607 0.206 25887 2844 1 7 . 1 1 169 169 THR C C 169 173.859 173.859 174.016 -0.157 25887 2845 1 7 . 1 1 169 169 THR CA C 169 60.038 60.038 60.073 -0.035 25887 2846 1 7 . 1 1 169 169 THR CB C 169 71.377 71.377 71.559 -0.182 25887 2847 1 7 . 1 1 169 169 THR H H 169 7.540 7.540 7.391 0.149 25887 2848 1 7 . 1 1 170 170 SER N N 170 117.386 117.386 119.868 -2.482 25887 2849 1 7 . 1 1 170 170 SER HA H 170 4.850 4.850 4.341 0.509 25887 2850 1 7 . 1 1 170 170 SER C C 170 175.757 175.757 175.584 0.173 25887 2851 1 7 . 1 1 170 170 SER CA C 170 60.987 60.987 58.749 2.238 25887 2852 1 7 . 1 1 170 170 SER CB C 170 63.104 63.104 63.572 -0.468 25887 2853 1 7 . 1 1 170 170 SER H H 170 8.814 8.814 8.605 0.209 25887 2854 1 7 . 1 1 171 171 LEU N N 171 116.724 116.724 119.077 -2.353 25887 2855 1 7 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.760 -0.100 25887 2856 1 7 . 1 1 171 171 LEU C C 171 176.055 176.055 177.056 -1.001 25887 2857 1 7 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.562 0.464 25887 2858 1 7 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.317 -2.029 25887 2859 1 7 . 1 1 171 171 LEU H H 171 9.570 9.570 8.548 1.022 25887 2860 1 7 . 1 1 172 172 CYS N N 172 113.842 113.842 113.085 0.757 25887 2861 1 7 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.277 0.337 25887 2862 1 7 . 1 1 172 172 CYS C C 172 174.424 174.424 174.686 -0.262 25887 2863 1 7 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.446 0.364 25887 2864 1 7 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.942 19.629 25887 2865 1 7 . 1 1 172 172 CYS H H 172 8.221 8.221 7.786 0.435 25887 2866 1 7 . 1 1 173 173 ASN N N 173 121.019 121.019 117.587 3.432 25887 2867 1 7 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.829 -0.072 25887 2868 1 7 . 1 1 173 173 ASN C C 173 174.239 174.239 175.785 -1.546 25887 2869 1 7 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.021 -1.256 25887 2870 1 7 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.497 -3.096 25887 2871 1 7 . 1 1 173 173 ASN H H 173 8.458 8.458 8.067 0.391 25887 2872 1 7 . 1 1 174 174 HIS N N 174 115.973 115.973 120.352 -4.379 25887 2873 1 7 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.607 -0.295 25887 2874 1 7 . 1 1 174 174 HIS C C 174 173.213 173.213 174.910 -1.697 25887 2875 1 7 . 1 1 174 174 HIS CA C 174 53.844 53.844 56.079 -2.235 25887 2876 1 7 . 1 1 174 174 HIS CB C 174 29.110 29.110 29.966 -0.856 25887 2877 1 7 . 1 1 174 174 HIS H H 174 7.170 7.170 7.315 -0.145 25887 2878 1 8 . 1 1 101 101 ILE N N 101 123.543 123.543 115.212 8.331 25887 2879 1 8 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.854 -0.246 25887 2880 1 8 . 1 1 101 101 ILE C C 101 172.659 172.659 173.819 -1.160 25887 2881 1 8 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.701 0.953 25887 2882 1 8 . 1 1 101 101 ILE CB C 101 41.301 41.301 40.805 0.496 25887 2883 1 8 . 1 1 101 101 ILE H H 101 8.681 8.681 8.142 0.539 25887 2884 1 8 . 1 1 102 102 TRP N N 102 123.817 123.817 119.558 4.259 25887 2885 1 8 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.259 -0.161 25887 2886 1 8 . 1 1 102 102 TRP C C 102 175.757 175.757 175.767 -0.010 25887 2887 1 8 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.204 -0.425 25887 2888 1 8 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.325 -0.119 25887 2889 1 8 . 1 1 102 102 TRP H H 102 8.008 8.008 8.412 -0.404 25887 2890 1 8 . 1 1 103 103 CYS N N 103 116.424 116.424 120.030 -3.606 25887 2891 1 8 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.822 0.273 25887 2892 1 8 . 1 1 103 103 CYS C C 103 175.070 175.070 173.020 2.050 25887 2893 1 8 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.379 -5.368 25887 2894 1 8 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.295 10.649 25887 2895 1 8 . 1 1 103 103 CYS H H 103 8.481 8.481 8.685 -0.204 25887 2896 1 8 . 1 1 104 104 HIS N N 104 123.159 123.159 118.217 4.942 25887 2897 1 8 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.351 -0.755 25887 2898 1 8 . 1 1 104 104 HIS C C 104 176.075 176.075 175.617 0.458 25887 2899 1 8 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.742 2.991 25887 2900 1 8 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.230 0.753 25887 2901 1 8 . 1 1 104 104 HIS H H 104 9.364 9.364 8.576 0.788 25887 2902 1 8 . 1 1 105 105 GLN N N 105 123.570 123.570 121.730 1.840 25887 2903 1 8 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.918 0.060 25887 2904 1 8 . 1 1 105 105 GLN C C 105 173.623 173.623 174.989 -1.366 25887 2905 1 8 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.341 -0.972 25887 2906 1 8 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.329 1.453 25887 2907 1 8 . 1 1 105 105 GLN H H 105 8.108 8.108 8.061 0.047 25887 2908 1 8 . 1 1 106 106 CYS N N 106 118.604 118.604 118.096 0.508 25887 2909 1 8 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.492 0.459 25887 2910 1 8 . 1 1 106 106 CYS C C 106 171.120 171.120 175.998 -4.878 25887 2911 1 8 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.438 -4.531 25887 2912 1 8 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.658 10.981 25887 2913 1 8 . 1 1 106 106 CYS H H 106 8.458 8.458 8.123 0.335 25887 2914 1 8 . 1 1 107 107 THR N N 107 113.541 113.541 118.912 -5.371 25887 2915 1 8 . 1 1 107 107 THR HA H 107 5.500 5.500 4.313 1.187 25887 2916 1 8 . 1 1 107 107 THR C C 107 173.592 173.592 174.600 -1.008 25887 2917 1 8 . 1 1 107 107 THR CA C 107 60.161 60.161 62.565 -2.404 25887 2918 1 8 . 1 1 107 107 THR CB C 107 71.879 71.879 68.414 3.465 25887 2919 1 8 . 1 1 107 107 THR H H 107 8.400 8.400 8.727 -0.327 25887 2920 1 8 . 1 1 108 108 GLY N N 108 110.549 110.549 111.038 -0.489 25887 2921 1 8 . 1 1 108 108 GLY C C 108 171.694 171.694 175.037 -3.343 25887 2922 1 8 . 1 1 108 108 GLY CA C 108 45.448 45.448 46.304 -0.856 25887 2923 1 8 . 1 1 108 108 GLY H H 108 8.817 8.817 7.969 0.848 25887 2924 1 8 . 1 1 109 109 PHE N N 109 120.830 120.830 120.913 -0.083 25887 2925 1 8 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.150 0.974 25887 2926 1 8 . 1 1 109 109 PHE C C 109 177.225 177.225 176.000 1.225 25887 2927 1 8 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.997 -0.559 25887 2928 1 8 . 1 1 109 109 PHE CB C 109 38.408 38.408 36.995 1.413 25887 2929 1 8 . 1 1 109 109 PHE H H 109 8.924 8.924 7.995 0.929 25887 2930 1 8 . 1 1 110 110 GLY N N 110 113.069 113.069 105.031 8.038 25887 2931 1 8 . 1 1 110 110 GLY C C 110 172.546 172.546 174.925 -2.379 25887 2932 1 8 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.178 0.530 25887 2933 1 8 . 1 1 110 110 GLY H H 110 9.442 9.442 8.133 1.309 25887 2934 1 8 . 1 1 111 111 GLY N N 111 106.335 106.335 107.400 -1.065 25887 2935 1 8 . 1 1 111 111 GLY C C 111 171.664 171.664 175.324 -3.660 25887 2936 1 8 . 1 1 111 111 GLY CA C 111 44.256 44.256 45.242 -0.986 25887 2937 1 8 . 1 1 111 111 GLY H H 111 7.095 7.095 8.130 -1.035 25887 2938 1 8 . 1 1 112 112 CYS N N 112 111.804 111.804 119.713 -7.909 25887 2939 1 8 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.314 0.442 25887 2940 1 8 . 1 1 112 112 CYS C C 112 171.027 171.027 173.675 -2.648 25887 2941 1 8 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.300 -2.177 25887 2942 1 8 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.875 13.915 25887 2943 1 8 . 1 1 112 112 CYS H H 112 8.477 8.477 7.866 0.611 25887 2944 1 8 . 1 1 113 113 SER N N 113 116.083 116.083 121.087 -5.004 25887 2945 1 8 . 1 1 113 113 SER HA H 113 4.603 4.603 4.139 0.464 25887 2946 1 8 . 1 1 113 113 SER C C 113 174.536 174.536 173.076 1.460 25887 2947 1 8 . 1 1 113 113 SER CA C 113 56.493 56.493 57.408 -0.915 25887 2948 1 8 . 1 1 113 113 SER CB C 113 65.160 65.160 64.144 1.016 25887 2949 1 8 . 1 1 113 113 SER H H 113 8.693 8.693 8.399 0.294 25887 2950 1 8 . 1 1 114 114 HIS N N 114 126.668 126.668 122.982 3.686 25887 2951 1 8 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.579 -0.011 25887 2952 1 8 . 1 1 114 114 HIS C C 114 172.515 172.515 173.924 -1.409 25887 2953 1 8 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.136 0.751 25887 2954 1 8 . 1 1 114 114 HIS CB C 114 27.276 27.276 31.235 -3.959 25887 2955 1 8 . 1 1 114 114 HIS H H 114 11.587 11.587 7.935 3.652 25887 2956 1 8 . 1 1 115 115 GLY N N 115 119.128 119.128 113.704 5.424 25887 2957 1 8 . 1 1 115 115 GLY C C 115 173.018 173.018 173.723 -0.705 25887 2958 1 8 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.716 0.741 25887 2959 1 8 . 1 1 115 115 GLY H H 115 9.361 9.361 8.737 0.624 25887 2960 1 8 . 1 1 116 116 SER N N 116 118.656 118.656 119.399 -0.743 25887 2961 1 8 . 1 1 116 116 SER HA H 116 4.451 4.451 5.149 -0.698 25887 2962 1 8 . 1 1 116 116 SER C C 116 171.848 171.848 173.509 -1.661 25887 2963 1 8 . 1 1 116 116 SER CA C 116 57.256 57.256 57.365 -0.109 25887 2964 1 8 . 1 1 116 116 SER CB C 116 64.697 64.697 67.102 -2.405 25887 2965 1 8 . 1 1 116 116 SER H H 116 8.151 8.151 9.111 -0.960 25887 2966 1 8 . 1 1 117 117 ARG N N 117 124.682 124.682 119.540 5.142 25887 2967 1 8 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.543 -0.589 25887 2968 1 8 . 1 1 117 117 ARG C C 117 176.671 176.671 175.869 0.802 25887 2969 1 8 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.838 0.917 25887 2970 1 8 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.891 0.226 25887 2971 1 8 . 1 1 117 117 ARG H H 117 7.629 7.629 8.399 -0.770 25887 2972 1 8 . 1 1 118 118 CYS N N 118 122.932 122.932 123.198 -0.266 25887 2973 1 8 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.326 0.548 25887 2974 1 8 . 1 1 118 118 CYS C C 118 174.577 174.577 174.485 0.092 25887 2975 1 8 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.319 -6.323 25887 2976 1 8 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.895 11.402 25887 2977 1 8 . 1 1 118 118 CYS H H 118 7.852 7.852 7.649 0.203 25887 2978 1 8 . 1 1 119 119 LEU N N 119 120.027 120.027 122.304 -2.277 25887 2979 1 8 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.312 -0.011 25887 2980 1 8 . 1 1 119 119 LEU C C 119 178.394 178.394 178.223 0.171 25887 2981 1 8 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.363 0.853 25887 2982 1 8 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.898 -1.207 25887 2983 1 8 . 1 1 119 119 LEU H H 119 7.980 7.980 8.379 -0.399 25887 2984 1 8 . 1 1 120 120 ARG N N 120 120.159 120.159 121.027 -0.868 25887 2985 1 8 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.932 0.106 25887 2986 1 8 . 1 1 120 120 ARG C C 120 175.624 175.624 176.295 -0.671 25887 2987 1 8 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.317 0.099 25887 2988 1 8 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.858 0.130 25887 2989 1 8 . 1 1 120 120 ARG H H 120 8.523 8.523 8.473 0.050 25887 2990 1 8 . 1 1 121 121 ASP N N 121 115.199 115.199 115.429 -0.230 25887 2991 1 8 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.498 0.032 25887 2992 1 8 . 1 1 121 121 ASP C C 121 175.593 175.593 175.708 -0.115 25887 2993 1 8 . 1 1 121 121 ASP CA C 121 54.424 54.424 54.512 -0.088 25887 2994 1 8 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.362 -0.328 25887 2995 1 8 . 1 1 121 121 ASP H H 121 8.252 8.252 8.135 0.117 25887 2996 1 8 . 1 1 122 122 SER N N 122 114.383 114.383 115.972 -1.589 25887 2997 1 8 . 1 1 122 122 SER HA H 122 4.124 4.124 4.355 -0.231 25887 2998 1 8 . 1 1 122 122 SER C C 122 173.264 173.264 174.161 -0.897 25887 2999 1 8 . 1 1 122 122 SER CA C 122 60.703 60.703 59.117 1.586 25887 3000 1 8 . 1 1 122 122 SER CB C 122 62.879 62.879 62.888 -0.009 25887 3001 1 8 . 1 1 122 122 SER H H 122 7.612 7.612 7.884 -0.272 25887 3002 1 8 . 1 1 123 123 THR N N 123 111.852 111.852 120.255 -8.403 25887 3003 1 8 . 1 1 123 123 THR HA H 123 4.519 4.519 4.362 0.157 25887 3004 1 8 . 1 1 123 123 THR C C 123 173.356 173.356 173.148 0.208 25887 3005 1 8 . 1 1 123 123 THR CA C 123 61.888 61.888 61.125 0.763 25887 3006 1 8 . 1 1 123 123 THR CB C 123 70.830 70.830 69.641 1.190 25887 3007 1 8 . 1 1 123 123 THR H H 123 8.413 8.413 8.213 0.200 25887 3008 1 8 . 1 1 124 124 HIS N N 124 120.615 120.615 117.791 2.824 25887 3009 1 8 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.893 0.263 25887 3010 1 8 . 1 1 124 124 HIS C C 124 174.177 174.177 173.390 0.787 25887 3011 1 8 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.050 0.950 25887 3012 1 8 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.481 1.263 25887 3013 1 8 . 1 1 124 124 HIS H H 124 8.630 8.630 7.634 0.996 25887 3014 1 8 . 1 1 125 125 CYS N N 125 115.755 115.755 118.626 -2.871 25887 3015 1 8 . 1 1 125 125 CYS HA H 125 5.716 5.716 4.728 0.988 25887 3016 1 8 . 1 1 125 125 CYS C C 125 174.906 174.906 173.857 1.049 25887 3017 1 8 . 1 1 125 125 CYS CA C 125 52.172 52.172 58.533 -6.361 25887 3018 1 8 . 1 1 125 125 CYS CB C 125 36.484 36.484 28.282 8.202 25887 3019 1 8 . 1 1 125 125 CYS H H 125 9.102 9.102 8.534 0.568 25887 3020 1 8 . 1 1 126 126 VAL N N 126 121.353 121.353 124.727 -3.374 25887 3021 1 8 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.395 0.804 25887 3022 1 8 . 1 1 126 126 VAL C C 126 176.004 176.004 174.677 1.327 25887 3023 1 8 . 1 1 126 126 VAL CA C 126 60.555 60.555 62.073 -1.518 25887 3024 1 8 . 1 1 126 126 VAL CB C 126 35.605 35.605 33.278 2.327 25887 3025 1 8 . 1 1 126 126 VAL H H 126 9.077 9.077 9.239 -0.162 25887 3026 1 8 . 1 1 127 127 THR N N 127 125.497 125.497 125.160 0.337 25887 3027 1 8 . 1 1 127 127 THR HA H 127 5.192 5.192 4.574 0.618 25887 3028 1 8 . 1 1 127 127 THR C C 127 173.510 173.510 174.145 -0.635 25887 3029 1 8 . 1 1 127 127 THR CA C 127 61.909 61.909 61.969 -0.060 25887 3030 1 8 . 1 1 127 127 THR CB C 127 71.018 71.018 67.672 3.345 25887 3031 1 8 . 1 1 127 127 THR H H 127 9.031 9.031 8.415 0.616 25887 3032 1 8 . 1 1 128 128 THR N N 128 121.196 121.196 118.896 2.300 25887 3033 1 8 . 1 1 128 128 THR HA H 128 5.500 5.500 4.630 0.870 25887 3034 1 8 . 1 1 128 128 THR C C 128 172.228 172.228 172.735 -0.507 25887 3035 1 8 . 1 1 128 128 THR CA C 128 59.004 59.004 60.800 -1.796 25887 3036 1 8 . 1 1 128 128 THR CB C 128 70.306 70.306 69.237 1.069 25887 3037 1 8 . 1 1 128 128 THR H H 128 9.625 9.625 8.179 1.446 25887 3038 1 8 . 1 1 129 129 ALA N N 129 124.169 124.169 130.030 -5.861 25887 3039 1 8 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.183 0.317 25887 3040 1 8 . 1 1 129 129 ALA C C 129 176.424 176.424 176.052 0.372 25887 3041 1 8 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.454 0.041 25887 3042 1 8 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.316 0.032 25887 3043 1 8 . 1 1 129 129 ALA H H 129 8.539 8.539 8.370 0.169 25887 3044 1 8 . 1 1 130 130 THR N N 130 116.687 116.687 115.767 0.920 25887 3045 1 8 . 1 1 130 130 THR HA H 130 4.890 4.890 4.803 0.087 25887 3046 1 8 . 1 1 130 130 THR C C 130 172.854 172.854 174.107 -1.253 25887 3047 1 8 . 1 1 130 130 THR CA C 130 60.678 60.678 60.493 0.185 25887 3048 1 8 . 1 1 130 130 THR CB C 130 70.352 70.352 71.639 -1.287 25887 3049 1 8 . 1 1 130 130 THR H H 130 8.636 8.636 8.111 0.525 25887 3050 1 8 . 1 1 131 131 ARG N N 131 124.260 124.260 125.155 -0.895 25887 3051 1 8 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.278 0.372 25887 3052 1 8 . 1 1 131 131 ARG C C 131 175.603 175.603 175.731 -0.128 25887 3053 1 8 . 1 1 131 131 ARG CA C 131 55.458 55.458 56.627 -1.169 25887 3054 1 8 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.096 -0.341 25887 3055 1 8 . 1 1 131 131 ARG H H 131 8.540 8.540 8.727 -0.187 25887 3056 1 8 . 1 1 132 132 VAL N N 132 121.349 121.349 120.319 1.030 25887 3057 1 8 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.263 -0.031 25887 3058 1 8 . 1 1 132 132 VAL C C 132 175.727 175.727 174.635 1.092 25887 3059 1 8 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.025 0.810 25887 3060 1 8 . 1 1 132 132 VAL CB C 132 32.636 32.636 33.238 -0.602 25887 3061 1 8 . 1 1 132 132 VAL H H 132 8.430 8.430 8.397 0.033 25887 3062 1 8 . 1 1 133 133 LEU N N 133 124.364 124.364 126.954 -2.590 25887 3063 1 8 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.290 0.162 25887 3064 1 8 . 1 1 133 133 LEU C C 133 176.753 176.753 176.301 0.452 25887 3065 1 8 . 1 1 133 133 LEU CA C 133 54.748 54.748 55.977 -1.229 25887 3066 1 8 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.136 -0.263 25887 3067 1 8 . 1 1 133 133 LEU H H 133 8.246 8.246 8.221 0.025 25887 3068 1 8 . 1 1 134 134 SER N N 134 114.791 114.791 119.642 -4.851 25887 3069 1 8 . 1 1 134 134 SER HA H 134 4.490 4.490 4.612 -0.122 25887 3070 1 8 . 1 1 134 134 SER C C 134 173.900 173.900 174.906 -1.006 25887 3071 1 8 . 1 1 134 134 SER CA C 134 57.970 57.970 57.230 0.740 25887 3072 1 8 . 1 1 134 134 SER CB C 134 63.375 63.375 66.089 -2.714 25887 3073 1 8 . 1 1 134 134 SER H H 134 8.078 8.078 8.367 -0.289 25887 3074 1 8 . 1 1 135 135 ASN N N 135 119.634 119.634 121.621 -1.987 25887 3075 1 8 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.617 0.160 25887 3076 1 8 . 1 1 135 135 ASN C C 135 175.337 175.337 175.042 0.295 25887 3077 1 8 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.613 -1.543 25887 3078 1 8 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.400 -0.054 25887 3079 1 8 . 1 1 135 135 ASN H H 135 8.287 8.287 8.810 -0.523 25887 3080 1 8 . 1 1 136 136 THR N N 136 112.097 112.097 110.351 1.746 25887 3081 1 8 . 1 1 136 136 THR HA H 136 4.311 4.311 4.437 -0.126 25887 3082 1 8 . 1 1 136 136 THR C C 136 174.280 174.280 172.995 1.285 25887 3083 1 8 . 1 1 136 136 THR CA C 136 62.131 62.131 61.600 0.531 25887 3084 1 8 . 1 1 136 136 THR CB C 136 69.106 69.106 69.239 -0.133 25887 3085 1 8 . 1 1 136 136 THR H H 136 8.085 8.085 7.391 0.694 25887 3086 1 8 . 1 1 137 137 GLU N N 137 120.207 120.207 123.125 -2.918 25887 3087 1 8 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.520 -0.156 25887 3088 1 8 . 1 1 137 137 GLU C C 137 175.296 175.296 175.243 0.053 25887 3089 1 8 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.906 -0.152 25887 3090 1 8 . 1 1 137 137 GLU CB C 137 29.189 29.189 31.808 -2.619 25887 3091 1 8 . 1 1 137 137 GLU H H 137 8.035 8.035 8.194 -0.159 25887 3092 1 8 . 1 1 138 138 ASP N N 138 119.742 119.742 124.975 -5.233 25887 3093 1 8 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.704 -0.099 25887 3094 1 8 . 1 1 138 138 ASP C C 138 174.978 174.978 175.907 -0.929 25887 3095 1 8 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.864 -0.984 25887 3096 1 8 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.411 -1.176 25887 3097 1 8 . 1 1 138 138 ASP H H 138 8.097 8.097 8.839 -0.742 25887 3098 1 8 . 1 1 139 139 LEU N N 139 121.008 121.008 116.084 4.924 25887 3099 1 8 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.796 -0.019 25887 3100 1 8 . 1 1 139 139 LEU CA C 139 52.011 52.011 51.962 0.049 25887 3101 1 8 . 1 1 139 139 LEU CB C 139 42.693 42.693 42.485 0.208 25887 3102 1 8 . 1 1 139 139 LEU H H 139 8.021 8.021 7.417 0.604 25887 3103 1 8 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.675 -0.041 25887 3104 1 8 . 1 1 140 140 PRO C C 140 175.419 175.419 175.640 -0.221 25887 3105 1 8 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.281 -0.218 25887 3106 1 8 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.781 -0.891 25887 3107 1 8 . 1 1 141 141 LEU N N 141 123.715 123.715 120.525 3.190 25887 3108 1 8 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.523 -0.347 25887 3109 1 8 . 1 1 141 141 LEU C C 141 175.870 175.870 174.958 0.912 25887 3110 1 8 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.672 1.518 25887 3111 1 8 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.410 -1.732 25887 3112 1 8 . 1 1 141 141 LEU H H 141 8.569 8.569 7.987 0.582 25887 3113 1 8 . 1 1 142 142 VAL N N 142 131.573 131.573 123.708 7.865 25887 3114 1 8 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.833 0.317 25887 3115 1 8 . 1 1 142 142 VAL C C 142 174.198 174.198 175.204 -1.006 25887 3116 1 8 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.788 -0.205 25887 3117 1 8 . 1 1 142 142 VAL CB C 142 33.230 33.230 36.004 -2.774 25887 3118 1 8 . 1 1 142 142 VAL H H 142 9.005 9.005 8.445 0.560 25887 3119 1 8 . 1 1 143 143 THR N N 143 121.430 121.430 121.879 -0.449 25887 3120 1 8 . 1 1 143 143 THR HA H 143 4.967 4.967 4.564 0.403 25887 3121 1 8 . 1 1 143 143 THR C C 143 172.546 172.546 173.155 -0.609 25887 3122 1 8 . 1 1 143 143 THR CA C 143 61.343 61.343 61.942 -0.599 25887 3123 1 8 . 1 1 143 143 THR CB C 143 69.917 69.917 71.253 -1.336 25887 3124 1 8 . 1 1 143 143 THR H H 143 8.744 8.744 8.879 -0.135 25887 3125 1 8 . 1 1 144 144 LYS N N 144 126.310 126.310 129.385 -3.075 25887 3126 1 8 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.085 0.504 25887 3127 1 8 . 1 1 144 144 LYS C C 144 175.839 175.839 175.035 0.804 25887 3128 1 8 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.701 -1.034 25887 3129 1 8 . 1 1 144 144 LYS CB C 144 35.577 35.577 33.844 1.733 25887 3130 1 8 . 1 1 144 144 LYS H H 144 9.397 9.397 8.421 0.976 25887 3131 1 8 . 1 1 145 145 MET N N 145 117.942 117.942 123.675 -5.733 25887 3132 1 8 . 1 1 145 145 MET HA H 145 5.058 5.058 5.070 -0.012 25887 3133 1 8 . 1 1 145 145 MET C C 145 174.454 174.454 173.487 0.967 25887 3134 1 8 . 1 1 145 145 MET CA C 145 54.843 54.843 54.053 0.790 25887 3135 1 8 . 1 1 145 145 MET CB C 145 35.827 35.827 36.658 -0.831 25887 3136 1 8 . 1 1 145 145 MET H H 145 8.729 8.729 8.374 0.355 25887 3137 1 8 . 1 1 146 146 CYS N N 146 119.031 119.031 121.028 -1.997 25887 3138 1 8 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.422 0.086 25887 3139 1 8 . 1 1 146 146 CYS C C 146 175.029 175.029 174.660 0.369 25887 3140 1 8 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.447 -0.778 25887 3141 1 8 . 1 1 146 146 CYS CB C 146 46.298 46.298 27.961 18.337 25887 3142 1 8 . 1 1 146 146 CYS H H 146 8.642 8.642 8.633 0.009 25887 3143 1 8 . 1 1 147 147 HIS N N 147 120.858 120.858 118.264 2.594 25887 3144 1 8 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.766 -0.123 25887 3145 1 8 . 1 1 147 147 HIS C C 147 173.223 173.223 175.087 -1.864 25887 3146 1 8 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.280 1.321 25887 3147 1 8 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.944 -0.124 25887 3148 1 8 . 1 1 147 147 HIS H H 147 9.423 9.423 8.763 0.660 25887 3149 1 8 . 1 1 148 148 ILE N N 148 125.370 125.370 122.757 2.613 25887 3150 1 8 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.376 -0.006 25887 3151 1 8 . 1 1 148 148 ILE CA C 148 62.538 62.538 60.882 1.656 25887 3152 1 8 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.079 0.017 25887 3153 1 8 . 1 1 148 148 ILE H H 148 8.374 8.374 8.203 0.171 25887 3154 1 8 . 1 1 149 149 GLY N N 149 118.093 118.093 111.864 6.229 25887 3155 1 8 . 1 1 149 149 GLY C C 149 170.853 170.853 172.359 -1.506 25887 3156 1 8 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.924 -1.383 25887 3157 1 8 . 1 1 149 149 GLY H H 149 8.367 8.367 7.910 0.457 25887 3158 1 8 . 1 1 150 150 CYS N N 150 118.529 118.529 121.078 -2.549 25887 3159 1 8 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.857 -0.039 25887 3160 1 8 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.618 -6.353 25887 3161 1 8 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.110 12.642 25887 3162 1 8 . 1 1 150 150 CYS H H 150 8.187 8.187 8.565 -0.378 25887 3163 1 8 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.556 -0.212 25887 3164 1 8 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.794 -0.366 25887 3165 1 8 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.437 -0.765 25887 3166 1 8 . 1 1 152 152 ASP N N 152 117.148 117.148 120.228 -3.080 25887 3167 1 8 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.710 -0.070 25887 3168 1 8 . 1 1 152 152 ASP C C 152 175.624 175.624 174.869 0.755 25887 3169 1 8 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.577 -2.167 25887 3170 1 8 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.640 1.051 25887 3171 1 8 . 1 1 152 152 ASP H H 152 7.668 7.668 8.478 -0.810 25887 3172 1 8 . 1 1 153 153 ILE N N 153 119.719 119.719 123.171 -3.452 25887 3173 1 8 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.520 -0.607 25887 3174 1 8 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.720 6.276 25887 3175 1 8 . 1 1 153 153 ILE CB C 153 35.994 35.994 39.280 -3.286 25887 3176 1 8 . 1 1 153 153 ILE H H 153 8.327 8.327 8.358 -0.031 25887 3177 1 8 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.434 -0.070 25887 3178 1 8 . 1 1 154 154 PRO C C 154 178.333 178.333 177.774 0.559 25887 3179 1 8 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.328 0.675 25887 3180 1 8 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.630 -0.853 25887 3181 1 8 . 1 1 155 155 SER N N 155 112.667 112.667 114.691 -2.024 25887 3182 1 8 . 1 1 155 155 SER HA H 155 4.303 4.303 4.277 0.026 25887 3183 1 8 . 1 1 155 155 SER C C 155 175.450 175.450 175.410 0.040 25887 3184 1 8 . 1 1 155 155 SER CA C 155 60.312 60.312 60.449 -0.137 25887 3185 1 8 . 1 1 155 155 SER CB C 155 62.816 62.816 63.000 -0.184 25887 3186 1 8 . 1 1 155 155 SER H H 155 7.883 7.883 8.052 -0.169 25887 3187 1 8 . 1 1 156 156 LEU N N 156 120.903 120.903 116.824 4.079 25887 3188 1 8 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.637 -0.332 25887 3189 1 8 . 1 1 156 156 LEU C C 156 177.974 177.974 175.806 2.168 25887 3190 1 8 . 1 1 156 156 LEU CA C 156 55.516 55.516 54.077 1.439 25887 3191 1 8 . 1 1 156 156 LEU CB C 156 42.080 42.080 41.233 0.848 25887 3192 1 8 . 1 1 156 156 LEU H H 156 7.770 7.770 7.269 0.501 25887 3193 1 8 . 1 1 157 157 GLY N N 157 105.004 105.004 108.255 -3.251 25887 3194 1 8 . 1 1 157 157 GLY C C 157 174.321 174.321 173.093 1.228 25887 3195 1 8 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.362 0.825 25887 3196 1 8 . 1 1 157 157 GLY H H 157 7.666 7.666 7.761 -0.095 25887 3197 1 8 . 1 1 158 158 LEU N N 158 119.534 119.534 121.587 -2.053 25887 3198 1 8 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.605 -0.073 25887 3199 1 8 . 1 1 158 158 LEU C C 158 176.712 176.712 177.066 -0.354 25887 3200 1 8 . 1 1 158 158 LEU CA C 158 53.760 53.760 54.442 -0.682 25887 3201 1 8 . 1 1 158 158 LEU CB C 158 42.761 42.761 43.398 -0.636 25887 3202 1 8 . 1 1 158 158 LEU H H 158 8.203 8.203 8.428 -0.225 25887 3203 1 8 . 1 1 159 159 GLY N N 159 108.700 108.700 109.001 -0.301 25887 3204 1 8 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.117 -0.701 25887 3205 1 8 . 1 1 159 159 GLY H H 159 8.055 8.055 7.862 0.193 25887 3206 1 8 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.389 -0.013 25887 3207 1 8 . 1 1 160 160 PRO C C 160 177.112 177.112 176.476 0.636 25887 3208 1 8 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.115 -0.804 25887 3209 1 8 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.308 -0.746 25887 3210 1 8 . 1 1 161 161 TYR N N 161 119.287 119.287 121.154 -1.867 25887 3211 1 8 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.588 0.230 25887 3212 1 8 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.764 -1.345 25887 3213 1 8 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.611 -0.650 25887 3214 1 8 . 1 1 161 161 TYR H H 161 8.130 8.130 7.940 0.190 25887 3215 1 8 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.376 0.357 25887 3216 1 8 . 1 1 162 162 VAL CA C 162 60.346 60.346 61.229 -0.883 25887 3217 1 8 . 1 1 162 162 VAL CB C 162 38.408 38.408 35.090 3.318 25887 3218 1 8 . 1 1 163 163 SER N N 163 119.428 119.428 123.986 -4.558 25887 3219 1 8 . 1 1 163 163 SER HA H 163 4.788 4.788 4.762 0.026 25887 3220 1 8 . 1 1 163 163 SER C C 163 173.141 173.141 173.251 -0.110 25887 3221 1 8 . 1 1 163 163 SER CA C 163 56.672 56.672 57.090 -0.418 25887 3222 1 8 . 1 1 163 163 SER CB C 163 64.650 64.650 64.270 0.380 25887 3223 1 8 . 1 1 163 163 SER H H 163 8.641 8.641 8.264 0.377 25887 3224 1 8 . 1 1 164 164 ILE N N 164 123.448 123.448 123.549 -0.101 25887 3225 1 8 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.644 0.102 25887 3226 1 8 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.871 -0.242 25887 3227 1 8 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.558 0.753 25887 3228 1 8 . 1 1 164 164 ILE H H 164 8.496 8.496 8.508 -0.012 25887 3229 1 8 . 1 1 165 165 ALA N N 165 129.783 129.783 131.399 -1.616 25887 3230 1 8 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.805 0.065 25887 3231 1 8 . 1 1 165 165 ALA C C 165 176.219 176.219 175.692 0.527 25887 3232 1 8 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.673 0.107 25887 3233 1 8 . 1 1 165 165 ALA CB C 165 21.348 21.348 19.708 1.640 25887 3234 1 8 . 1 1 165 165 ALA H H 165 8.941 8.941 8.756 0.185 25887 3235 1 8 . 1 1 166 166 CYS N N 166 119.842 119.842 120.948 -1.106 25887 3236 1 8 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.362 0.190 25887 3237 1 8 . 1 1 166 166 CYS C C 166 172.289 172.289 175.284 -2.995 25887 3238 1 8 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.437 -4.318 25887 3239 1 8 . 1 1 166 166 CYS CB C 166 48.826 48.826 28.749 20.077 25887 3240 1 8 . 1 1 166 166 CYS H H 166 9.049 9.049 8.539 0.510 25887 3241 1 8 . 1 1 167 167 CYS N N 167 118.569 118.569 120.277 -1.708 25887 3242 1 8 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.908 0.328 25887 3243 1 8 . 1 1 167 167 CYS C C 167 173.562 173.562 173.161 0.401 25887 3244 1 8 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.738 -2.597 25887 3245 1 8 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.724 14.739 25887 3246 1 8 . 1 1 167 167 CYS H H 167 9.297 9.297 8.888 0.409 25887 3247 1 8 . 1 1 168 168 GLN N N 168 118.916 118.916 119.498 -0.582 25887 3248 1 8 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.752 0.078 25887 3249 1 8 . 1 1 168 168 GLN C C 168 174.362 174.362 175.223 -0.861 25887 3250 1 8 . 1 1 168 168 GLN CA C 168 55.985 55.985 54.682 1.303 25887 3251 1 8 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.105 4.582 25887 3252 1 8 . 1 1 168 168 GLN H H 168 9.105 9.105 8.651 0.454 25887 3253 1 8 . 1 1 169 169 THR N N 169 110.926 110.926 113.133 -2.207 25887 3254 1 8 . 1 1 169 169 THR HA H 169 4.813 4.813 4.513 0.300 25887 3255 1 8 . 1 1 169 169 THR C C 169 173.859 173.859 174.138 -0.279 25887 3256 1 8 . 1 1 169 169 THR CA C 169 60.038 60.038 60.021 0.017 25887 3257 1 8 . 1 1 169 169 THR CB C 169 71.377 71.377 71.704 -0.327 25887 3258 1 8 . 1 1 169 169 THR H H 169 7.540 7.540 7.472 0.068 25887 3259 1 8 . 1 1 170 170 SER N N 170 117.386 117.386 120.398 -3.012 25887 3260 1 8 . 1 1 170 170 SER HA H 170 4.850 4.850 4.279 0.571 25887 3261 1 8 . 1 1 170 170 SER C C 170 175.757 175.757 175.422 0.335 25887 3262 1 8 . 1 1 170 170 SER CA C 170 60.987 60.987 59.187 1.800 25887 3263 1 8 . 1 1 170 170 SER CB C 170 63.104 63.104 63.377 -0.273 25887 3264 1 8 . 1 1 170 170 SER H H 170 8.814 8.814 8.572 0.242 25887 3265 1 8 . 1 1 171 171 LEU N N 171 116.724 116.724 118.831 -2.107 25887 3266 1 8 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.703 -0.043 25887 3267 1 8 . 1 1 171 171 LEU C C 171 176.055 176.055 177.183 -1.128 25887 3268 1 8 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.509 0.516 25887 3269 1 8 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.778 -1.490 25887 3270 1 8 . 1 1 171 171 LEU H H 171 9.570 9.570 8.524 1.046 25887 3271 1 8 . 1 1 172 172 CYS N N 172 113.842 113.842 113.815 0.027 25887 3272 1 8 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.505 0.109 25887 3273 1 8 . 1 1 172 172 CYS C C 172 174.424 174.424 174.619 -0.195 25887 3274 1 8 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.895 -0.085 25887 3275 1 8 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.801 19.770 25887 3276 1 8 . 1 1 172 172 CYS H H 172 8.221 8.221 7.751 0.470 25887 3277 1 8 . 1 1 173 173 ASN N N 173 121.019 121.019 117.225 3.794 25887 3278 1 8 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.839 -0.082 25887 3279 1 8 . 1 1 173 173 ASN C C 173 174.239 174.239 175.341 -1.102 25887 3280 1 8 . 1 1 173 173 ASN CA C 173 51.765 51.765 52.910 -1.145 25887 3281 1 8 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.935 -3.534 25887 3282 1 8 . 1 1 173 173 ASN H H 173 8.458 8.458 8.042 0.416 25887 3283 1 8 . 1 1 174 174 HIS N N 174 115.973 115.973 118.512 -2.539 25887 3284 1 8 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.700 -0.388 25887 3285 1 8 . 1 1 174 174 HIS C C 174 173.213 173.213 174.755 -1.542 25887 3286 1 8 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.677 -1.833 25887 3287 1 8 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.560 -1.450 25887 3288 1 8 . 1 1 174 174 HIS H H 174 7.170 7.170 7.688 -0.518 25887 3289 1 9 . 1 1 101 101 ILE N N 101 123.543 123.543 118.463 5.080 25887 3290 1 9 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.931 -0.323 25887 3291 1 9 . 1 1 101 101 ILE C C 101 172.659 172.659 173.787 -1.128 25887 3292 1 9 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.507 1.147 25887 3293 1 9 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.199 0.102 25887 3294 1 9 . 1 1 101 101 ILE H H 101 8.681 8.681 8.206 0.475 25887 3295 1 9 . 1 1 102 102 TRP N N 102 123.817 123.817 120.218 3.599 25887 3296 1 9 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.057 0.041 25887 3297 1 9 . 1 1 102 102 TRP C C 102 175.757 175.757 176.224 -0.467 25887 3298 1 9 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.687 -0.908 25887 3299 1 9 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.026 0.180 25887 3300 1 9 . 1 1 102 102 TRP H H 102 8.008 8.008 8.402 -0.394 25887 3301 1 9 . 1 1 103 103 CYS N N 103 116.424 116.424 118.503 -2.079 25887 3302 1 9 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.822 0.273 25887 3303 1 9 . 1 1 103 103 CYS C C 103 175.070 175.070 173.561 1.509 25887 3304 1 9 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.706 -5.695 25887 3305 1 9 . 1 1 103 103 CYS CB C 103 41.944 41.944 32.263 9.681 25887 3306 1 9 . 1 1 103 103 CYS H H 103 8.481 8.481 9.005 -0.524 25887 3307 1 9 . 1 1 104 104 HIS N N 104 123.159 123.159 119.257 3.902 25887 3308 1 9 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.342 -0.746 25887 3309 1 9 . 1 1 104 104 HIS C C 104 176.075 176.075 175.198 0.877 25887 3310 1 9 . 1 1 104 104 HIS CA C 104 58.733 58.733 56.028 2.705 25887 3311 1 9 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.747 0.237 25887 3312 1 9 . 1 1 104 104 HIS H H 104 9.364 9.364 8.454 0.910 25887 3313 1 9 . 1 1 105 105 GLN N N 105 123.570 123.570 122.577 0.993 25887 3314 1 9 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.779 0.199 25887 3315 1 9 . 1 1 105 105 GLN C C 105 173.623 173.623 174.921 -1.298 25887 3316 1 9 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.052 -0.683 25887 3317 1 9 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.499 1.283 25887 3318 1 9 . 1 1 105 105 GLN H H 105 8.108 8.108 8.151 -0.043 25887 3319 1 9 . 1 1 106 106 CYS N N 106 118.604 118.604 119.756 -1.152 25887 3320 1 9 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.707 0.244 25887 3321 1 9 . 1 1 106 106 CYS C C 106 171.120 171.120 176.475 -5.355 25887 3322 1 9 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.390 -4.483 25887 3323 1 9 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.806 10.833 25887 3324 1 9 . 1 1 106 106 CYS H H 106 8.458 8.458 8.319 0.139 25887 3325 1 9 . 1 1 107 107 THR N N 107 113.541 113.541 119.189 -5.648 25887 3326 1 9 . 1 1 107 107 THR HA H 107 5.500 5.500 4.121 1.379 25887 3327 1 9 . 1 1 107 107 THR C C 107 173.592 173.592 174.689 -1.097 25887 3328 1 9 . 1 1 107 107 THR CA C 107 60.161 60.161 63.223 -3.062 25887 3329 1 9 . 1 1 107 107 THR CB C 107 71.879 71.879 68.391 3.488 25887 3330 1 9 . 1 1 107 107 THR H H 107 8.400 8.400 8.671 -0.271 25887 3331 1 9 . 1 1 108 108 GLY N N 108 110.549 110.549 110.254 0.295 25887 3332 1 9 . 1 1 108 108 GLY C C 108 171.694 171.694 173.439 -1.745 25887 3333 1 9 . 1 1 108 108 GLY CA C 108 45.448 45.448 45.183 0.265 25887 3334 1 9 . 1 1 108 108 GLY H H 108 8.817 8.817 7.424 1.393 25887 3335 1 9 . 1 1 109 109 PHE N N 109 120.830 120.830 122.407 -1.577 25887 3336 1 9 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.821 0.303 25887 3337 1 9 . 1 1 109 109 PHE C C 109 177.225 177.225 175.759 1.466 25887 3338 1 9 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.250 1.188 25887 3339 1 9 . 1 1 109 109 PHE CB C 109 38.408 38.408 39.067 -0.659 25887 3340 1 9 . 1 1 109 109 PHE H H 109 8.924 8.924 7.944 0.981 25887 3341 1 9 . 1 1 110 110 GLY N N 110 113.069 113.069 107.885 5.184 25887 3342 1 9 . 1 1 110 110 GLY C C 110 172.546 172.546 175.268 -2.722 25887 3343 1 9 . 1 1 110 110 GLY CA C 110 45.708 45.708 44.798 0.909 25887 3344 1 9 . 1 1 110 110 GLY H H 110 9.442 9.442 8.025 1.417 25887 3345 1 9 . 1 1 111 111 GLY N N 111 106.335 106.335 106.987 -0.652 25887 3346 1 9 . 1 1 111 111 GLY C C 111 171.664 171.664 174.785 -3.121 25887 3347 1 9 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.751 -0.495 25887 3348 1 9 . 1 1 111 111 GLY H H 111 7.095 7.095 8.329 -1.234 25887 3349 1 9 . 1 1 112 112 CYS N N 112 111.804 111.804 116.538 -4.734 25887 3350 1 9 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.566 0.190 25887 3351 1 9 . 1 1 112 112 CYS C C 112 171.027 171.027 174.206 -3.179 25887 3352 1 9 . 1 1 112 112 CYS CA C 112 56.123 56.123 57.264 -1.141 25887 3353 1 9 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.396 13.393 25887 3354 1 9 . 1 1 112 112 CYS H H 112 8.477 8.477 7.852 0.625 25887 3355 1 9 . 1 1 113 113 SER N N 113 116.083 116.083 116.784 -0.701 25887 3356 1 9 . 1 1 113 113 SER HA H 113 4.603 4.603 4.585 0.018 25887 3357 1 9 . 1 1 113 113 SER C C 113 174.536 174.536 172.766 1.770 25887 3358 1 9 . 1 1 113 113 SER CA C 113 56.493 56.493 57.998 -1.505 25887 3359 1 9 . 1 1 113 113 SER CB C 113 65.160 65.160 64.914 0.246 25887 3360 1 9 . 1 1 113 113 SER H H 113 8.693 8.693 8.128 0.565 25887 3361 1 9 . 1 1 114 114 HIS N N 114 126.668 126.668 123.277 3.391 25887 3362 1 9 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.717 -0.149 25887 3363 1 9 . 1 1 114 114 HIS C C 114 172.515 172.515 173.810 -1.295 25887 3364 1 9 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.687 0.200 25887 3365 1 9 . 1 1 114 114 HIS CB C 114 27.276 27.276 33.028 -5.752 25887 3366 1 9 . 1 1 114 114 HIS H H 114 11.587 11.587 8.325 3.262 25887 3367 1 9 . 1 1 115 115 GLY N N 115 119.128 119.128 111.742 7.386 25887 3368 1 9 . 1 1 115 115 GLY C C 115 173.018 173.018 173.237 -0.219 25887 3369 1 9 . 1 1 115 115 GLY CA C 115 46.457 46.457 44.799 1.658 25887 3370 1 9 . 1 1 115 115 GLY H H 115 9.361 9.361 8.613 0.748 25887 3371 1 9 . 1 1 116 116 SER N N 116 118.656 118.656 118.399 0.257 25887 3372 1 9 . 1 1 116 116 SER HA H 116 4.451 4.451 4.863 -0.412 25887 3373 1 9 . 1 1 116 116 SER C C 116 171.848 171.848 173.188 -1.340 25887 3374 1 9 . 1 1 116 116 SER CA C 116 57.256 57.256 56.376 0.880 25887 3375 1 9 . 1 1 116 116 SER CB C 116 64.697 64.697 64.889 -0.192 25887 3376 1 9 . 1 1 116 116 SER H H 116 8.151 8.151 9.120 -0.969 25887 3377 1 9 . 1 1 117 117 ARG N N 117 124.682 124.682 122.280 2.402 25887 3378 1 9 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.606 -0.652 25887 3379 1 9 . 1 1 117 117 ARG C C 117 176.671 176.671 176.000 0.671 25887 3380 1 9 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.590 0.165 25887 3381 1 9 . 1 1 117 117 ARG CB C 117 30.117 30.117 30.085 0.031 25887 3382 1 9 . 1 1 117 117 ARG H H 117 7.629 7.629 8.144 -0.515 25887 3383 1 9 . 1 1 118 118 CYS N N 118 122.932 122.932 122.405 0.527 25887 3384 1 9 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.340 0.534 25887 3385 1 9 . 1 1 118 118 CYS C C 118 174.577 174.577 174.597 -0.020 25887 3386 1 9 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.754 -5.758 25887 3387 1 9 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.820 11.477 25887 3388 1 9 . 1 1 118 118 CYS H H 118 7.852 7.852 7.772 0.080 25887 3389 1 9 . 1 1 119 119 LEU N N 119 120.027 120.027 122.519 -2.492 25887 3390 1 9 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.208 0.093 25887 3391 1 9 . 1 1 119 119 LEU C C 119 178.394 178.394 178.659 -0.265 25887 3392 1 9 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.967 0.249 25887 3393 1 9 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.666 -0.975 25887 3394 1 9 . 1 1 119 119 LEU H H 119 7.980 7.980 8.329 -0.349 25887 3395 1 9 . 1 1 120 120 ARG N N 120 120.159 120.159 124.725 -4.566 25887 3396 1 9 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.912 0.126 25887 3397 1 9 . 1 1 120 120 ARG C C 120 175.624 175.624 176.512 -0.888 25887 3398 1 9 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.779 -0.363 25887 3399 1 9 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.524 0.464 25887 3400 1 9 . 1 1 120 120 ARG H H 120 8.523 8.523 8.589 -0.066 25887 3401 1 9 . 1 1 121 121 ASP N N 121 115.199 115.199 116.300 -1.101 25887 3402 1 9 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.489 0.041 25887 3403 1 9 . 1 1 121 121 ASP C C 121 175.593 175.593 175.459 0.134 25887 3404 1 9 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.770 -1.346 25887 3405 1 9 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.600 -0.566 25887 3406 1 9 . 1 1 121 121 ASP H H 121 8.252 8.252 8.260 -0.008 25887 3407 1 9 . 1 1 122 122 SER N N 122 114.383 114.383 112.520 1.863 25887 3408 1 9 . 1 1 122 122 SER HA H 122 4.124 4.124 4.260 -0.136 25887 3409 1 9 . 1 1 122 122 SER C C 122 173.264 173.264 174.365 -1.101 25887 3410 1 9 . 1 1 122 122 SER CA C 122 60.703 60.703 58.824 1.879 25887 3411 1 9 . 1 1 122 122 SER CB C 122 62.879 62.879 62.816 0.063 25887 3412 1 9 . 1 1 122 122 SER H H 122 7.612 7.612 7.277 0.335 25887 3413 1 9 . 1 1 123 123 THR N N 123 111.852 111.852 120.521 -8.669 25887 3414 1 9 . 1 1 123 123 THR HA H 123 4.519 4.519 4.555 -0.036 25887 3415 1 9 . 1 1 123 123 THR C C 123 173.356 173.356 173.497 -0.141 25887 3416 1 9 . 1 1 123 123 THR CA C 123 61.888 61.888 61.336 0.552 25887 3417 1 9 . 1 1 123 123 THR CB C 123 70.830 70.830 69.145 1.685 25887 3418 1 9 . 1 1 123 123 THR H H 123 8.413 8.413 8.368 0.045 25887 3419 1 9 . 1 1 124 124 HIS N N 124 120.615 120.615 118.045 2.570 25887 3420 1 9 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.851 0.305 25887 3421 1 9 . 1 1 124 124 HIS C C 124 174.177 174.177 173.101 1.076 25887 3422 1 9 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.454 0.546 25887 3423 1 9 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.966 0.778 25887 3424 1 9 . 1 1 124 124 HIS H H 124 8.630 8.630 7.872 0.758 25887 3425 1 9 . 1 1 125 125 CYS N N 125 115.755 115.755 120.036 -4.281 25887 3426 1 9 . 1 1 125 125 CYS HA H 125 5.716 5.716 4.770 0.946 25887 3427 1 9 . 1 1 125 125 CYS C C 125 174.906 174.906 173.599 1.307 25887 3428 1 9 . 1 1 125 125 CYS CA C 125 52.172 52.172 59.291 -7.119 25887 3429 1 9 . 1 1 125 125 CYS CB C 125 36.484 36.484 28.056 8.428 25887 3430 1 9 . 1 1 125 125 CYS H H 125 9.102 9.102 8.497 0.605 25887 3431 1 9 . 1 1 126 126 VAL N N 126 121.353 121.353 124.922 -3.569 25887 3432 1 9 . 1 1 126 126 VAL HA H 126 5.199 5.199 5.145 0.054 25887 3433 1 9 . 1 1 126 126 VAL C C 126 176.004 176.004 175.041 0.963 25887 3434 1 9 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.856 -0.301 25887 3435 1 9 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.632 -0.027 25887 3436 1 9 . 1 1 126 126 VAL H H 126 9.077 9.077 8.615 0.462 25887 3437 1 9 . 1 1 127 127 THR N N 127 125.497 125.497 121.636 3.861 25887 3438 1 9 . 1 1 127 127 THR HA H 127 5.192 5.192 4.818 0.374 25887 3439 1 9 . 1 1 127 127 THR C C 127 173.510 173.510 173.422 0.088 25887 3440 1 9 . 1 1 127 127 THR CA C 127 61.909 61.909 61.561 0.348 25887 3441 1 9 . 1 1 127 127 THR CB C 127 71.018 71.018 70.007 1.011 25887 3442 1 9 . 1 1 127 127 THR H H 127 9.031 9.031 8.541 0.490 25887 3443 1 9 . 1 1 128 128 THR N N 128 121.196 121.196 117.072 4.124 25887 3444 1 9 . 1 1 128 128 THR HA H 128 5.500 5.500 5.310 0.190 25887 3445 1 9 . 1 1 128 128 THR C C 128 172.228 172.228 172.839 -0.611 25887 3446 1 9 . 1 1 128 128 THR CA C 128 59.004 59.004 58.753 0.251 25887 3447 1 9 . 1 1 128 128 THR CB C 128 70.306 70.306 71.379 -1.073 25887 3448 1 9 . 1 1 128 128 THR H H 128 9.625 9.625 8.872 0.753 25887 3449 1 9 . 1 1 129 129 ALA N N 129 124.169 124.169 123.127 1.042 25887 3450 1 9 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.960 0.540 25887 3451 1 9 . 1 1 129 129 ALA C C 129 176.424 176.424 175.517 0.907 25887 3452 1 9 . 1 1 129 129 ALA CA C 129 50.495 50.495 51.888 -1.393 25887 3453 1 9 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.448 -0.100 25887 3454 1 9 . 1 1 129 129 ALA H H 129 8.539 8.539 8.108 0.431 25887 3455 1 9 . 1 1 130 130 THR N N 130 116.687 116.687 115.257 1.430 25887 3456 1 9 . 1 1 130 130 THR HA H 130 4.890 4.890 4.795 0.095 25887 3457 1 9 . 1 1 130 130 THR C C 130 172.854 172.854 175.195 -2.341 25887 3458 1 9 . 1 1 130 130 THR CA C 130 60.678 60.678 60.166 0.512 25887 3459 1 9 . 1 1 130 130 THR CB C 130 70.352 70.352 71.187 -0.835 25887 3460 1 9 . 1 1 130 130 THR H H 130 8.636 8.636 8.537 0.099 25887 3461 1 9 . 1 1 131 131 ARG N N 131 124.260 124.260 121.259 3.001 25887 3462 1 9 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.680 -0.030 25887 3463 1 9 . 1 1 131 131 ARG C C 131 175.603 175.603 175.326 0.277 25887 3464 1 9 . 1 1 131 131 ARG CA C 131 55.458 55.458 58.354 -2.896 25887 3465 1 9 . 1 1 131 131 ARG CB C 131 30.755 30.755 32.045 -1.290 25887 3466 1 9 . 1 1 131 131 ARG H H 131 8.540 8.540 8.693 -0.153 25887 3467 1 9 . 1 1 132 132 VAL N N 132 121.349 121.349 115.442 5.907 25887 3468 1 9 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.442 -0.210 25887 3469 1 9 . 1 1 132 132 VAL C C 132 175.727 175.727 175.010 0.717 25887 3470 1 9 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.992 -0.157 25887 3471 1 9 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.100 0.536 25887 3472 1 9 . 1 1 132 132 VAL H H 132 8.430 8.430 7.892 0.538 25887 3473 1 9 . 1 1 133 133 LEU N N 133 124.364 124.364 128.108 -3.744 25887 3474 1 9 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.427 0.025 25887 3475 1 9 . 1 1 133 133 LEU C C 133 176.753 176.753 177.522 -0.769 25887 3476 1 9 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.632 -1.884 25887 3477 1 9 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.366 -0.493 25887 3478 1 9 . 1 1 133 133 LEU H H 133 8.246 8.246 8.142 0.104 25887 3479 1 9 . 1 1 134 134 SER N N 134 114.791 114.791 113.966 0.825 25887 3480 1 9 . 1 1 134 134 SER HA H 134 4.490 4.490 4.392 0.098 25887 3481 1 9 . 1 1 134 134 SER C C 134 173.900 173.900 176.135 -2.235 25887 3482 1 9 . 1 1 134 134 SER CA C 134 57.970 57.970 59.143 -1.173 25887 3483 1 9 . 1 1 134 134 SER CB C 134 63.375 63.375 62.934 0.442 25887 3484 1 9 . 1 1 134 134 SER H H 134 8.078 8.078 8.005 0.073 25887 3485 1 9 . 1 1 135 135 ASN N N 135 119.634 119.634 118.806 0.828 25887 3486 1 9 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.693 0.084 25887 3487 1 9 . 1 1 135 135 ASN C C 135 175.337 175.337 174.811 0.526 25887 3488 1 9 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.594 -1.524 25887 3489 1 9 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.665 -0.319 25887 3490 1 9 . 1 1 135 135 ASN H H 135 8.287 8.287 8.245 0.042 25887 3491 1 9 . 1 1 136 136 THR N N 136 112.097 112.097 110.010 2.087 25887 3492 1 9 . 1 1 136 136 THR HA H 136 4.311 4.311 3.978 0.333 25887 3493 1 9 . 1 1 136 136 THR C C 136 174.280 174.280 174.230 0.050 25887 3494 1 9 . 1 1 136 136 THR CA C 136 62.131 62.131 62.919 -0.787 25887 3495 1 9 . 1 1 136 136 THR CB C 136 69.106 69.106 67.699 1.407 25887 3496 1 9 . 1 1 136 136 THR H H 136 8.085 8.085 7.903 0.182 25887 3497 1 9 . 1 1 137 137 GLU N N 137 120.207 120.207 120.237 -0.030 25887 3498 1 9 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.418 -0.054 25887 3499 1 9 . 1 1 137 137 GLU C C 137 175.296 175.296 175.934 -0.638 25887 3500 1 9 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.973 -0.219 25887 3501 1 9 . 1 1 137 137 GLU CB C 137 29.189 29.189 30.232 -1.043 25887 3502 1 9 . 1 1 137 137 GLU H H 137 8.035 8.035 8.193 -0.158 25887 3503 1 9 . 1 1 138 138 ASP N N 138 119.742 119.742 119.054 0.688 25887 3504 1 9 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.562 0.043 25887 3505 1 9 . 1 1 138 138 ASP C C 138 174.978 174.978 176.622 -1.644 25887 3506 1 9 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.639 -1.759 25887 3507 1 9 . 1 1 138 138 ASP CB C 138 40.235 40.235 40.883 -0.648 25887 3508 1 9 . 1 1 138 138 ASP H H 138 8.097 8.097 8.400 -0.303 25887 3509 1 9 . 1 1 139 139 LEU N N 139 121.008 121.008 118.118 2.890 25887 3510 1 9 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.889 -0.112 25887 3511 1 9 . 1 1 139 139 LEU CA C 139 52.011 52.011 51.821 0.190 25887 3512 1 9 . 1 1 139 139 LEU CB C 139 42.693 42.693 40.823 1.870 25887 3513 1 9 . 1 1 139 139 LEU H H 139 8.021 8.021 7.541 0.480 25887 3514 1 9 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.616 0.018 25887 3515 1 9 . 1 1 140 140 PRO C C 140 175.419 175.419 175.966 -0.547 25887 3516 1 9 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.241 -0.178 25887 3517 1 9 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.776 -0.886 25887 3518 1 9 . 1 1 141 141 LEU N N 141 123.715 123.715 121.164 2.551 25887 3519 1 9 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.663 -0.487 25887 3520 1 9 . 1 1 141 141 LEU C C 141 175.870 175.870 175.557 0.313 25887 3521 1 9 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.923 1.267 25887 3522 1 9 . 1 1 141 141 LEU CB C 141 41.678 41.678 44.069 -2.391 25887 3523 1 9 . 1 1 141 141 LEU H H 141 8.569 8.569 8.119 0.450 25887 3524 1 9 . 1 1 142 142 VAL N N 142 131.573 131.573 126.592 4.981 25887 3525 1 9 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.184 0.966 25887 3526 1 9 . 1 1 142 142 VAL C C 142 174.198 174.198 175.686 -1.488 25887 3527 1 9 . 1 1 142 142 VAL CA C 142 60.583 60.583 62.313 -1.730 25887 3528 1 9 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.048 0.181 25887 3529 1 9 . 1 1 142 142 VAL H H 142 9.005 9.005 8.506 0.499 25887 3530 1 9 . 1 1 143 143 THR N N 143 121.430 121.430 121.499 -0.069 25887 3531 1 9 . 1 1 143 143 THR HA H 143 4.967 4.967 4.575 0.392 25887 3532 1 9 . 1 1 143 143 THR C C 143 172.546 172.546 172.887 -0.341 25887 3533 1 9 . 1 1 143 143 THR CA C 143 61.343 61.343 61.906 -0.563 25887 3534 1 9 . 1 1 143 143 THR CB C 143 69.917 69.917 70.682 -0.765 25887 3535 1 9 . 1 1 143 143 THR H H 143 8.744 8.744 8.469 0.275 25887 3536 1 9 . 1 1 144 144 LYS N N 144 126.310 126.310 127.421 -1.111 25887 3537 1 9 . 1 1 144 144 LYS HA H 144 5.589 5.589 4.963 0.626 25887 3538 1 9 . 1 1 144 144 LYS C C 144 175.839 175.839 175.994 -0.155 25887 3539 1 9 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.200 -0.533 25887 3540 1 9 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.332 0.245 25887 3541 1 9 . 1 1 144 144 LYS H H 144 9.397 9.397 8.246 1.151 25887 3542 1 9 . 1 1 145 145 MET N N 145 117.942 117.942 118.692 -0.750 25887 3543 1 9 . 1 1 145 145 MET HA H 145 5.058 5.058 4.940 0.118 25887 3544 1 9 . 1 1 145 145 MET C C 145 174.454 174.454 173.320 1.134 25887 3545 1 9 . 1 1 145 145 MET CA C 145 54.843 54.843 54.660 0.183 25887 3546 1 9 . 1 1 145 145 MET CB C 145 35.827 35.827 35.637 0.190 25887 3547 1 9 . 1 1 145 145 MET H H 145 8.729 8.729 8.503 0.226 25887 3548 1 9 . 1 1 146 146 CYS N N 146 119.031 119.031 116.700 2.331 25887 3549 1 9 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.364 0.144 25887 3550 1 9 . 1 1 146 146 CYS C C 146 175.029 175.029 174.026 1.003 25887 3551 1 9 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.686 -1.017 25887 3552 1 9 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.654 15.643 25887 3553 1 9 . 1 1 146 146 CYS H H 146 8.642 8.642 8.503 0.139 25887 3554 1 9 . 1 1 147 147 HIS N N 147 120.858 120.858 118.365 2.493 25887 3555 1 9 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.710 -0.067 25887 3556 1 9 . 1 1 147 147 HIS C C 147 173.223 173.223 173.499 -0.276 25887 3557 1 9 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.362 1.239 25887 3558 1 9 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.105 0.715 25887 3559 1 9 . 1 1 147 147 HIS H H 147 9.423 9.423 8.511 0.912 25887 3560 1 9 . 1 1 148 148 ILE N N 148 125.370 125.370 120.097 5.273 25887 3561 1 9 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.328 0.042 25887 3562 1 9 . 1 1 148 148 ILE CA C 148 62.538 62.538 62.263 0.275 25887 3563 1 9 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.382 -0.286 25887 3564 1 9 . 1 1 148 148 ILE H H 148 8.374 8.374 8.097 0.277 25887 3565 1 9 . 1 1 149 149 GLY N N 149 118.093 118.093 110.078 8.015 25887 3566 1 9 . 1 1 149 149 GLY C C 149 170.853 170.853 172.450 -1.597 25887 3567 1 9 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.071 -1.530 25887 3568 1 9 . 1 1 149 149 GLY H H 149 8.367 8.367 7.944 0.423 25887 3569 1 9 . 1 1 150 150 CYS N N 150 118.529 118.529 120.996 -2.467 25887 3570 1 9 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.825 -0.007 25887 3571 1 9 . 1 1 150 150 CYS CA C 150 50.265 50.265 57.174 -6.909 25887 3572 1 9 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.109 12.643 25887 3573 1 9 . 1 1 150 150 CYS H H 150 8.187 8.187 8.301 -0.114 25887 3574 1 9 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.604 -0.260 25887 3575 1 9 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.669 -0.241 25887 3576 1 9 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.221 -0.549 25887 3577 1 9 . 1 1 152 152 ASP N N 152 117.148 117.148 118.702 -1.554 25887 3578 1 9 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.748 -0.108 25887 3579 1 9 . 1 1 152 152 ASP C C 152 175.624 175.624 174.632 0.992 25887 3580 1 9 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.416 -2.006 25887 3581 1 9 . 1 1 152 152 ASP CB C 152 41.691 41.691 42.496 -0.805 25887 3582 1 9 . 1 1 152 152 ASP H H 152 7.668 7.668 8.271 -0.603 25887 3583 1 9 . 1 1 153 153 ILE N N 153 119.719 119.719 123.481 -3.762 25887 3584 1 9 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.499 -0.586 25887 3585 1 9 . 1 1 153 153 ILE CA C 153 64.996 64.996 57.922 7.074 25887 3586 1 9 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.104 -2.110 25887 3587 1 9 . 1 1 153 153 ILE H H 153 8.327 8.327 8.443 -0.116 25887 3588 1 9 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.442 -0.078 25887 3589 1 9 . 1 1 154 154 PRO C C 154 178.333 178.333 178.246 0.087 25887 3590 1 9 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.407 0.596 25887 3591 1 9 . 1 1 154 154 PRO CB C 154 30.777 30.777 32.118 -1.341 25887 3592 1 9 . 1 1 155 155 SER N N 155 112.667 112.667 113.867 -1.200 25887 3593 1 9 . 1 1 155 155 SER HA H 155 4.303 4.303 4.353 -0.050 25887 3594 1 9 . 1 1 155 155 SER C C 155 175.450 175.450 175.221 0.229 25887 3595 1 9 . 1 1 155 155 SER CA C 155 60.312 60.312 59.292 1.020 25887 3596 1 9 . 1 1 155 155 SER CB C 155 62.816 62.816 62.858 -0.041 25887 3597 1 9 . 1 1 155 155 SER H H 155 7.883 7.883 8.331 -0.448 25887 3598 1 9 . 1 1 156 156 LEU N N 156 120.903 120.903 121.317 -0.414 25887 3599 1 9 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.333 -0.028 25887 3600 1 9 . 1 1 156 156 LEU C C 156 177.974 177.974 175.685 2.289 25887 3601 1 9 . 1 1 156 156 LEU CA C 156 55.516 55.516 54.981 0.535 25887 3602 1 9 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.421 -0.341 25887 3603 1 9 . 1 1 156 156 LEU H H 156 7.770 7.770 7.298 0.472 25887 3604 1 9 . 1 1 157 157 GLY N N 157 105.004 105.004 105.997 -0.993 25887 3605 1 9 . 1 1 157 157 GLY C C 157 174.321 174.321 174.275 0.046 25887 3606 1 9 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.177 1.010 25887 3607 1 9 . 1 1 157 157 GLY H H 157 7.666 7.666 7.520 0.146 25887 3608 1 9 . 1 1 158 158 LEU N N 158 119.534 119.534 121.917 -2.383 25887 3609 1 9 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.823 -0.291 25887 3610 1 9 . 1 1 158 158 LEU C C 158 176.712 176.712 177.808 -1.096 25887 3611 1 9 . 1 1 158 158 LEU CA C 158 53.760 53.760 53.625 0.135 25887 3612 1 9 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.483 0.278 25887 3613 1 9 . 1 1 158 158 LEU H H 158 8.203 8.203 7.830 0.372 25887 3614 1 9 . 1 1 159 159 GLY N N 159 108.700 108.700 109.761 -1.061 25887 3615 1 9 . 1 1 159 159 GLY CA C 159 44.416 44.416 46.691 -2.275 25887 3616 1 9 . 1 1 159 159 GLY H H 159 8.055 8.055 8.473 -0.418 25887 3617 1 9 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.269 0.107 25887 3618 1 9 . 1 1 160 160 PRO C C 160 177.112 177.112 176.204 0.908 25887 3619 1 9 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.405 -1.094 25887 3620 1 9 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.267 -0.704 25887 3621 1 9 . 1 1 161 161 TYR N N 161 119.287 119.287 115.264 4.023 25887 3622 1 9 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.625 0.193 25887 3623 1 9 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.286 -0.867 25887 3624 1 9 . 1 1 161 161 TYR CB C 161 36.961 36.961 42.046 -5.085 25887 3625 1 9 . 1 1 161 161 TYR H H 161 8.130 8.130 7.867 0.263 25887 3626 1 9 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.302 0.431 25887 3627 1 9 . 1 1 162 162 VAL CA C 162 60.346 60.346 61.502 -1.156 25887 3628 1 9 . 1 1 162 162 VAL CB C 162 38.408 38.408 33.349 5.059 25887 3629 1 9 . 1 1 163 163 SER N N 163 119.428 119.428 125.160 -5.732 25887 3630 1 9 . 1 1 163 163 SER HA H 163 4.788 4.788 4.767 0.021 25887 3631 1 9 . 1 1 163 163 SER C C 163 173.141 173.141 173.027 0.114 25887 3632 1 9 . 1 1 163 163 SER CA C 163 56.672 56.672 57.493 -0.821 25887 3633 1 9 . 1 1 163 163 SER CB C 163 64.650 64.650 63.449 1.202 25887 3634 1 9 . 1 1 163 163 SER H H 163 8.641 8.641 8.668 -0.027 25887 3635 1 9 . 1 1 164 164 ILE N N 164 123.448 123.448 124.432 -0.984 25887 3636 1 9 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.625 0.121 25887 3637 1 9 . 1 1 164 164 ILE CA C 164 60.629 60.629 59.030 1.599 25887 3638 1 9 . 1 1 164 164 ILE CB C 164 41.311 41.311 41.165 0.146 25887 3639 1 9 . 1 1 164 164 ILE H H 164 8.496 8.496 8.541 -0.045 25887 3640 1 9 . 1 1 165 165 ALA N N 165 129.783 129.783 128.743 1.040 25887 3641 1 9 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.753 0.117 25887 3642 1 9 . 1 1 165 165 ALA C C 165 176.219 176.219 175.884 0.335 25887 3643 1 9 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.410 -0.631 25887 3644 1 9 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.696 0.652 25887 3645 1 9 . 1 1 165 165 ALA H H 165 8.941 8.941 8.413 0.528 25887 3646 1 9 . 1 1 166 166 CYS N N 166 119.842 119.842 121.997 -2.155 25887 3647 1 9 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.157 0.395 25887 3648 1 9 . 1 1 166 166 CYS C C 166 172.289 172.289 175.414 -3.125 25887 3649 1 9 . 1 1 166 166 CYS CA C 166 53.119 53.119 56.939 -3.820 25887 3650 1 9 . 1 1 166 166 CYS CB C 166 48.826 48.826 26.431 22.395 25887 3651 1 9 . 1 1 166 166 CYS H H 166 9.049 9.049 8.559 0.490 25887 3652 1 9 . 1 1 167 167 CYS N N 167 118.569 118.569 122.456 -3.887 25887 3653 1 9 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.935 0.301 25887 3654 1 9 . 1 1 167 167 CYS C C 167 173.562 173.562 174.572 -1.010 25887 3655 1 9 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.986 -2.845 25887 3656 1 9 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.603 14.860 25887 3657 1 9 . 1 1 167 167 CYS H H 167 9.297 9.297 9.023 0.274 25887 3658 1 9 . 1 1 168 168 GLN N N 168 118.916 118.916 121.008 -2.092 25887 3659 1 9 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.363 0.467 25887 3660 1 9 . 1 1 168 168 GLN C C 168 174.362 174.362 174.815 -0.453 25887 3661 1 9 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.683 0.302 25887 3662 1 9 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.217 4.471 25887 3663 1 9 . 1 1 168 168 GLN H H 168 9.105 9.105 8.644 0.461 25887 3664 1 9 . 1 1 169 169 THR N N 169 110.926 110.926 112.226 -1.300 25887 3665 1 9 . 1 1 169 169 THR HA H 169 4.813 4.813 4.576 0.237 25887 3666 1 9 . 1 1 169 169 THR C C 169 173.859 173.859 174.057 -0.198 25887 3667 1 9 . 1 1 169 169 THR CA C 169 60.038 60.038 60.264 -0.226 25887 3668 1 9 . 1 1 169 169 THR CB C 169 71.377 71.377 71.430 -0.053 25887 3669 1 9 . 1 1 169 169 THR H H 169 7.540 7.540 7.554 -0.014 25887 3670 1 9 . 1 1 170 170 SER N N 170 117.386 117.386 120.324 -2.938 25887 3671 1 9 . 1 1 170 170 SER HA H 170 4.850 4.850 4.365 0.485 25887 3672 1 9 . 1 1 170 170 SER C C 170 175.757 175.757 175.493 0.264 25887 3673 1 9 . 1 1 170 170 SER CA C 170 60.987 60.987 59.692 1.295 25887 3674 1 9 . 1 1 170 170 SER CB C 170 63.104 63.104 63.340 -0.236 25887 3675 1 9 . 1 1 170 170 SER H H 170 8.814 8.814 8.629 0.185 25887 3676 1 9 . 1 1 171 171 LEU N N 171 116.724 116.724 119.373 -2.649 25887 3677 1 9 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.950 -0.290 25887 3678 1 9 . 1 1 171 171 LEU C C 171 176.055 176.055 177.674 -1.619 25887 3679 1 9 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.334 0.691 25887 3680 1 9 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.952 -1.663 25887 3681 1 9 . 1 1 171 171 LEU H H 171 9.570 9.570 8.482 1.088 25887 3682 1 9 . 1 1 172 172 CYS N N 172 113.842 113.842 114.408 -0.566 25887 3683 1 9 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.518 0.096 25887 3684 1 9 . 1 1 172 172 CYS C C 172 174.424 174.424 175.046 -0.622 25887 3685 1 9 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.823 -0.013 25887 3686 1 9 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.808 19.763 25887 3687 1 9 . 1 1 172 172 CYS H H 172 8.221 8.221 7.948 0.273 25887 3688 1 9 . 1 1 173 173 ASN N N 173 121.019 121.019 117.933 3.086 25887 3689 1 9 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.840 -0.083 25887 3690 1 9 . 1 1 173 173 ASN C C 173 174.239 174.239 175.801 -1.562 25887 3691 1 9 . 1 1 173 173 ASN CA C 173 51.765 51.765 54.398 -2.633 25887 3692 1 9 . 1 1 173 173 ASN CB C 173 35.401 35.401 39.105 -3.704 25887 3693 1 9 . 1 1 173 173 ASN H H 173 8.458 8.458 8.357 0.101 25887 3694 1 9 . 1 1 174 174 HIS N N 174 115.973 115.973 119.048 -3.075 25887 3695 1 9 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.499 -0.187 25887 3696 1 9 . 1 1 174 174 HIS C C 174 173.213 173.213 175.212 -1.999 25887 3697 1 9 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.422 -1.578 25887 3698 1 9 . 1 1 174 174 HIS CB C 174 29.110 29.110 31.035 -1.925 25887 3699 1 9 . 1 1 174 174 HIS H H 174 7.170 7.170 7.680 -0.510 25887 3700 1 10 . 1 1 101 101 ILE N N 101 123.543 123.543 119.977 3.566 25887 3701 1 10 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.955 -0.347 25887 3702 1 10 . 1 1 101 101 ILE C C 101 172.659 172.659 173.767 -1.108 25887 3703 1 10 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.104 0.550 25887 3704 1 10 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.197 0.104 25887 3705 1 10 . 1 1 101 101 ILE H H 101 8.681 8.681 8.419 0.262 25887 3706 1 10 . 1 1 102 102 TRP N N 102 123.817 123.817 120.612 3.205 25887 3707 1 10 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.328 -0.230 25887 3708 1 10 . 1 1 102 102 TRP C C 102 175.757 175.757 175.753 0.004 25887 3709 1 10 . 1 1 102 102 TRP CA C 102 55.779 55.779 55.788 -0.010 25887 3710 1 10 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.536 -0.330 25887 3711 1 10 . 1 1 102 102 TRP H H 102 8.008 8.008 8.434 -0.426 25887 3712 1 10 . 1 1 103 103 CYS N N 103 116.424 116.424 120.042 -3.618 25887 3713 1 10 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.786 0.309 25887 3714 1 10 . 1 1 103 103 CYS C C 103 175.070 175.070 173.240 1.830 25887 3715 1 10 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.362 -5.351 25887 3716 1 10 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.915 10.029 25887 3717 1 10 . 1 1 103 103 CYS H H 103 8.481 8.481 8.991 -0.510 25887 3718 1 10 . 1 1 104 104 HIS N N 104 123.159 123.159 118.485 4.674 25887 3719 1 10 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.105 -0.509 25887 3720 1 10 . 1 1 104 104 HIS C C 104 176.075 176.075 175.327 0.748 25887 3721 1 10 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.380 3.353 25887 3722 1 10 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.355 0.629 25887 3723 1 10 . 1 1 104 104 HIS H H 104 9.364 9.364 8.629 0.735 25887 3724 1 10 . 1 1 105 105 GLN N N 105 123.570 123.570 121.878 1.692 25887 3725 1 10 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.715 0.263 25887 3726 1 10 . 1 1 105 105 GLN C C 105 173.623 173.623 174.916 -1.293 25887 3727 1 10 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.094 -0.725 25887 3728 1 10 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.596 1.187 25887 3729 1 10 . 1 1 105 105 GLN H H 105 8.108 8.108 8.027 0.081 25887 3730 1 10 . 1 1 106 106 CYS N N 106 118.604 118.604 119.428 -0.824 25887 3731 1 10 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.619 0.332 25887 3732 1 10 . 1 1 106 106 CYS C C 106 171.120 171.120 176.696 -5.576 25887 3733 1 10 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.992 -5.085 25887 3734 1 10 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.561 11.079 25887 3735 1 10 . 1 1 106 106 CYS H H 106 8.458 8.458 8.225 0.233 25887 3736 1 10 . 1 1 107 107 THR N N 107 113.541 113.541 117.518 -3.977 25887 3737 1 10 . 1 1 107 107 THR HA H 107 5.500 5.500 4.144 1.356 25887 3738 1 10 . 1 1 107 107 THR C C 107 173.592 173.592 175.215 -1.623 25887 3739 1 10 . 1 1 107 107 THR CA C 107 60.161 60.161 66.292 -6.131 25887 3740 1 10 . 1 1 107 107 THR CB C 107 71.879 71.879 69.239 2.640 25887 3741 1 10 . 1 1 107 107 THR H H 107 8.400 8.400 8.909 -0.509 25887 3742 1 10 . 1 1 108 108 GLY N N 108 110.549 110.549 106.485 4.064 25887 3743 1 10 . 1 1 108 108 GLY C C 108 171.694 171.694 173.450 -1.756 25887 3744 1 10 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.661 0.787 25887 3745 1 10 . 1 1 108 108 GLY H H 108 8.817 8.817 7.669 1.148 25887 3746 1 10 . 1 1 109 109 PHE N N 109 120.830 120.830 121.536 -0.706 25887 3747 1 10 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.147 0.977 25887 3748 1 10 . 1 1 109 109 PHE C C 109 177.225 177.225 176.001 1.224 25887 3749 1 10 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.919 -0.481 25887 3750 1 10 . 1 1 109 109 PHE CB C 109 38.408 38.408 36.574 1.835 25887 3751 1 10 . 1 1 109 109 PHE H H 109 8.924 8.924 8.473 0.451 25887 3752 1 10 . 1 1 110 110 GLY N N 110 113.069 113.069 105.235 7.834 25887 3753 1 10 . 1 1 110 110 GLY C C 110 172.546 172.546 174.551 -2.005 25887 3754 1 10 . 1 1 110 110 GLY CA C 110 45.708 45.708 44.984 0.724 25887 3755 1 10 . 1 1 110 110 GLY H H 110 9.442 9.442 7.948 1.494 25887 3756 1 10 . 1 1 111 111 GLY N N 111 106.335 106.335 108.058 -1.723 25887 3757 1 10 . 1 1 111 111 GLY C C 111 171.664 171.664 174.220 -2.556 25887 3758 1 10 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.494 -0.238 25887 3759 1 10 . 1 1 111 111 GLY H H 111 7.095 7.095 7.195 -0.100 25887 3760 1 10 . 1 1 112 112 CYS N N 112 111.804 111.804 119.916 -8.112 25887 3761 1 10 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.365 0.391 25887 3762 1 10 . 1 1 112 112 CYS C C 112 171.027 171.027 173.766 -2.739 25887 3763 1 10 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.836 -2.712 25887 3764 1 10 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.706 14.084 25887 3765 1 10 . 1 1 112 112 CYS H H 112 8.477 8.477 7.992 0.485 25887 3766 1 10 . 1 1 113 113 SER N N 113 116.083 116.083 120.883 -4.800 25887 3767 1 10 . 1 1 113 113 SER HA H 113 4.603 4.603 4.091 0.512 25887 3768 1 10 . 1 1 113 113 SER C C 113 174.536 174.536 173.213 1.323 25887 3769 1 10 . 1 1 113 113 SER CA C 113 56.493 56.493 57.535 -1.042 25887 3770 1 10 . 1 1 113 113 SER CB C 113 65.160 65.160 64.840 0.321 25887 3771 1 10 . 1 1 113 113 SER H H 113 8.693 8.693 8.196 0.497 25887 3772 1 10 . 1 1 114 114 HIS N N 114 126.668 126.668 121.021 5.647 25887 3773 1 10 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.608 -0.040 25887 3774 1 10 . 1 1 114 114 HIS C C 114 172.515 172.515 174.736 -2.221 25887 3775 1 10 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.163 0.724 25887 3776 1 10 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.106 -4.830 25887 3777 1 10 . 1 1 114 114 HIS H H 114 11.587 11.587 8.135 3.452 25887 3778 1 10 . 1 1 115 115 GLY N N 115 119.128 119.128 112.675 6.453 25887 3779 1 10 . 1 1 115 115 GLY C C 115 173.018 173.018 173.448 -0.430 25887 3780 1 10 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.924 0.533 25887 3781 1 10 . 1 1 115 115 GLY H H 115 9.361 9.361 8.813 0.548 25887 3782 1 10 . 1 1 116 116 SER N N 116 118.656 118.656 118.725 -0.069 25887 3783 1 10 . 1 1 116 116 SER HA H 116 4.451 4.451 4.937 -0.486 25887 3784 1 10 . 1 1 116 116 SER C C 116 171.848 171.848 172.907 -1.059 25887 3785 1 10 . 1 1 116 116 SER CA C 116 57.256 57.256 56.468 0.788 25887 3786 1 10 . 1 1 116 116 SER CB C 116 64.697 64.697 64.988 -0.291 25887 3787 1 10 . 1 1 116 116 SER H H 116 8.151 8.151 9.086 -0.935 25887 3788 1 10 . 1 1 117 117 ARG N N 117 124.682 124.682 118.996 5.686 25887 3789 1 10 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.376 -0.422 25887 3790 1 10 . 1 1 117 117 ARG C C 117 176.671 176.671 175.496 1.175 25887 3791 1 10 . 1 1 117 117 ARG CA C 117 56.755 56.755 54.919 1.836 25887 3792 1 10 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.691 0.426 25887 3793 1 10 . 1 1 117 117 ARG H H 117 7.629 7.629 7.775 -0.146 25887 3794 1 10 . 1 1 118 118 CYS N N 118 122.932 122.932 120.910 2.022 25887 3795 1 10 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.420 0.454 25887 3796 1 10 . 1 1 118 118 CYS C C 118 174.577 174.577 174.331 0.246 25887 3797 1 10 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.877 -5.881 25887 3798 1 10 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.766 10.531 25887 3799 1 10 . 1 1 118 118 CYS H H 118 7.852 7.852 7.796 0.056 25887 3800 1 10 . 1 1 119 119 LEU N N 119 120.027 120.027 122.034 -2.007 25887 3801 1 10 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.275 0.026 25887 3802 1 10 . 1 1 119 119 LEU C C 119 178.394 178.394 178.322 0.072 25887 3803 1 10 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.661 0.555 25887 3804 1 10 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.515 -0.824 25887 3805 1 10 . 1 1 119 119 LEU H H 119 7.980 7.980 8.463 -0.483 25887 3806 1 10 . 1 1 120 120 ARG N N 120 120.159 120.159 122.606 -2.447 25887 3807 1 10 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.832 0.206 25887 3808 1 10 . 1 1 120 120 ARG C C 120 175.624 175.624 177.722 -2.098 25887 3809 1 10 . 1 1 120 120 ARG CA C 120 58.416 58.416 60.119 -1.703 25887 3810 1 10 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.918 0.070 25887 3811 1 10 . 1 1 120 120 ARG H H 120 8.523 8.523 8.742 -0.219 25887 3812 1 10 . 1 1 121 121 ASP N N 121 115.199 115.199 114.964 0.235 25887 3813 1 10 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.354 0.176 25887 3814 1 10 . 1 1 121 121 ASP C C 121 175.593 175.593 176.517 -0.924 25887 3815 1 10 . 1 1 121 121 ASP CA C 121 54.424 54.424 56.152 -1.728 25887 3816 1 10 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.205 -0.170 25887 3817 1 10 . 1 1 121 121 ASP H H 121 8.252 8.252 8.299 -0.047 25887 3818 1 10 . 1 1 122 122 SER N N 122 114.383 114.383 113.422 0.961 25887 3819 1 10 . 1 1 122 122 SER HA H 122 4.124 4.124 4.541 -0.417 25887 3820 1 10 . 1 1 122 122 SER C C 122 173.264 173.264 174.492 -1.228 25887 3821 1 10 . 1 1 122 122 SER CA C 122 60.703 60.703 57.728 2.975 25887 3822 1 10 . 1 1 122 122 SER CB C 122 62.879 62.879 62.503 0.376 25887 3823 1 10 . 1 1 122 122 SER H H 122 7.612 7.612 7.702 -0.090 25887 3824 1 10 . 1 1 123 123 THR N N 123 111.852 111.852 121.667 -9.815 25887 3825 1 10 . 1 1 123 123 THR HA H 123 4.519 4.519 4.498 0.021 25887 3826 1 10 . 1 1 123 123 THR C C 123 173.356 173.356 174.173 -0.817 25887 3827 1 10 . 1 1 123 123 THR CA C 123 61.888 61.888 62.282 -0.394 25887 3828 1 10 . 1 1 123 123 THR CB C 123 70.830 70.830 69.290 1.540 25887 3829 1 10 . 1 1 123 123 THR H H 123 8.413 8.413 8.279 0.134 25887 3830 1 10 . 1 1 124 124 HIS N N 124 120.615 120.615 118.706 1.909 25887 3831 1 10 . 1 1 124 124 HIS HA H 124 5.156 5.156 5.023 0.133 25887 3832 1 10 . 1 1 124 124 HIS C C 124 174.177 174.177 173.886 0.291 25887 3833 1 10 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.951 1.049 25887 3834 1 10 . 1 1 124 124 HIS CB C 124 34.744 34.744 34.160 0.584 25887 3835 1 10 . 1 1 124 124 HIS H H 124 8.630 8.630 8.274 0.356 25887 3836 1 10 . 1 1 125 125 CYS N N 125 115.755 115.755 118.397 -2.642 25887 3837 1 10 . 1 1 125 125 CYS HA H 125 5.716 5.716 4.834 0.882 25887 3838 1 10 . 1 1 125 125 CYS C C 125 174.906 174.906 173.483 1.423 25887 3839 1 10 . 1 1 125 125 CYS CA C 125 52.172 52.172 58.736 -6.564 25887 3840 1 10 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.260 7.224 25887 3841 1 10 . 1 1 125 125 CYS H H 125 9.102 9.102 8.449 0.653 25887 3842 1 10 . 1 1 126 126 VAL N N 126 121.353 121.353 122.771 -1.418 25887 3843 1 10 . 1 1 126 126 VAL HA H 126 5.199 5.199 5.426 -0.227 25887 3844 1 10 . 1 1 126 126 VAL C C 126 176.004 176.004 175.253 0.751 25887 3845 1 10 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.016 0.539 25887 3846 1 10 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.470 0.135 25887 3847 1 10 . 1 1 126 126 VAL H H 126 9.077 9.077 8.523 0.554 25887 3848 1 10 . 1 1 127 127 THR N N 127 125.497 125.497 119.264 6.233 25887 3849 1 10 . 1 1 127 127 THR HA H 127 5.192 5.192 4.896 0.296 25887 3850 1 10 . 1 1 127 127 THR C C 127 173.510 173.510 173.273 0.237 25887 3851 1 10 . 1 1 127 127 THR CA C 127 61.909 61.909 61.445 0.464 25887 3852 1 10 . 1 1 127 127 THR CB C 127 71.018 71.018 71.799 -0.781 25887 3853 1 10 . 1 1 127 127 THR H H 127 9.031 9.031 8.362 0.669 25887 3854 1 10 . 1 1 128 128 THR N N 128 121.196 121.196 115.997 5.199 25887 3855 1 10 . 1 1 128 128 THR HA H 128 5.500 5.500 5.358 0.142 25887 3856 1 10 . 1 1 128 128 THR C C 128 172.228 172.228 172.504 -0.276 25887 3857 1 10 . 1 1 128 128 THR CA C 128 59.004 59.004 59.568 -0.564 25887 3858 1 10 . 1 1 128 128 THR CB C 128 70.306 70.306 70.919 -0.613 25887 3859 1 10 . 1 1 128 128 THR H H 128 9.625 9.625 8.437 1.188 25887 3860 1 10 . 1 1 129 129 ALA N N 129 124.169 124.169 127.873 -3.704 25887 3861 1 10 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.507 -0.007 25887 3862 1 10 . 1 1 129 129 ALA C C 129 176.424 176.424 175.582 0.842 25887 3863 1 10 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.150 0.345 25887 3864 1 10 . 1 1 129 129 ALA CB C 129 21.348 21.348 22.391 -1.043 25887 3865 1 10 . 1 1 129 129 ALA H H 129 8.539 8.539 8.381 0.158 25887 3866 1 10 . 1 1 130 130 THR N N 130 116.687 116.687 118.126 -1.439 25887 3867 1 10 . 1 1 130 130 THR HA H 130 4.890 4.890 4.747 0.143 25887 3868 1 10 . 1 1 130 130 THR C C 130 172.854 172.854 174.910 -2.056 25887 3869 1 10 . 1 1 130 130 THR CA C 130 60.678 60.678 61.596 -0.918 25887 3870 1 10 . 1 1 130 130 THR CB C 130 70.352 70.352 70.826 -0.474 25887 3871 1 10 . 1 1 130 130 THR H H 130 8.636 8.636 8.761 -0.125 25887 3872 1 10 . 1 1 131 131 ARG N N 131 124.260 124.260 126.966 -2.706 25887 3873 1 10 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.272 0.378 25887 3874 1 10 . 1 1 131 131 ARG C C 131 175.603 175.603 176.069 -0.466 25887 3875 1 10 . 1 1 131 131 ARG CA C 131 55.458 55.458 57.087 -1.629 25887 3876 1 10 . 1 1 131 131 ARG CB C 131 30.755 30.755 29.838 0.917 25887 3877 1 10 . 1 1 131 131 ARG H H 131 8.540 8.540 8.667 -0.127 25887 3878 1 10 . 1 1 132 132 VAL N N 132 121.349 121.349 116.258 5.091 25887 3879 1 10 . 1 1 132 132 VAL HA H 132 4.232 4.232 3.725 0.507 25887 3880 1 10 . 1 1 132 132 VAL C C 132 175.727 175.727 176.564 -0.837 25887 3881 1 10 . 1 1 132 132 VAL CA C 132 61.835 61.835 62.480 -0.645 25887 3882 1 10 . 1 1 132 132 VAL CB C 132 32.636 32.636 30.397 2.239 25887 3883 1 10 . 1 1 132 132 VAL H H 132 8.430 8.430 7.780 0.650 25887 3884 1 10 . 1 1 133 133 LEU N N 133 124.364 124.364 117.229 7.135 25887 3885 1 10 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.279 0.173 25887 3886 1 10 . 1 1 133 133 LEU C C 133 176.753 176.753 177.411 -0.658 25887 3887 1 10 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.999 -2.251 25887 3888 1 10 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.755 0.118 25887 3889 1 10 . 1 1 133 133 LEU H H 133 8.246 8.246 7.949 0.297 25887 3890 1 10 . 1 1 134 134 SER N N 134 114.791 114.791 114.333 0.458 25887 3891 1 10 . 1 1 134 134 SER HA H 134 4.490 4.490 4.331 0.159 25887 3892 1 10 . 1 1 134 134 SER C C 134 173.900 173.900 174.755 -0.855 25887 3893 1 10 . 1 1 134 134 SER CA C 134 57.970 57.970 58.392 -0.422 25887 3894 1 10 . 1 1 134 134 SER CB C 134 63.375 63.375 63.232 0.143 25887 3895 1 10 . 1 1 134 134 SER H H 134 8.078 8.078 8.017 0.061 25887 3896 1 10 . 1 1 135 135 ASN N N 135 119.634 119.634 117.198 2.436 25887 3897 1 10 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.532 0.245 25887 3898 1 10 . 1 1 135 135 ASN C C 135 175.337 175.337 175.316 0.021 25887 3899 1 10 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.381 -1.311 25887 3900 1 10 . 1 1 135 135 ASN CB C 135 38.346 38.346 37.542 0.804 25887 3901 1 10 . 1 1 135 135 ASN H H 135 8.287 8.287 7.826 0.461 25887 3902 1 10 . 1 1 136 136 THR N N 136 112.097 112.097 107.301 4.796 25887 3903 1 10 . 1 1 136 136 THR HA H 136 4.311 4.311 4.185 0.126 25887 3904 1 10 . 1 1 136 136 THR C C 136 174.280 174.280 174.155 0.125 25887 3905 1 10 . 1 1 136 136 THR CA C 136 62.131 62.131 62.980 -0.849 25887 3906 1 10 . 1 1 136 136 THR CB C 136 69.106 69.106 69.127 -0.021 25887 3907 1 10 . 1 1 136 136 THR H H 136 8.085 8.085 7.991 0.094 25887 3908 1 10 . 1 1 137 137 GLU N N 137 120.207 120.207 120.384 -0.177 25887 3909 1 10 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.480 -0.116 25887 3910 1 10 . 1 1 137 137 GLU C C 137 175.296 175.296 175.331 -0.035 25887 3911 1 10 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.145 0.609 25887 3912 1 10 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.745 -3.556 25887 3913 1 10 . 1 1 137 137 GLU H H 137 8.035 8.035 7.518 0.517 25887 3914 1 10 . 1 1 138 138 ASP N N 138 119.742 119.742 118.793 0.949 25887 3915 1 10 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.617 -0.012 25887 3916 1 10 . 1 1 138 138 ASP C C 138 174.978 174.978 175.774 -0.796 25887 3917 1 10 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.874 -0.994 25887 3918 1 10 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.453 -1.218 25887 3919 1 10 . 1 1 138 138 ASP H H 138 8.097 8.097 8.619 -0.522 25887 3920 1 10 . 1 1 139 139 LEU N N 139 121.008 121.008 117.688 3.320 25887 3921 1 10 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.881 -0.104 25887 3922 1 10 . 1 1 139 139 LEU CA C 139 52.011 52.011 51.482 0.529 25887 3923 1 10 . 1 1 139 139 LEU CB C 139 42.693 42.693 42.462 0.231 25887 3924 1 10 . 1 1 139 139 LEU H H 139 8.021 8.021 7.283 0.738 25887 3925 1 10 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.655 -0.021 25887 3926 1 10 . 1 1 140 140 PRO C C 140 175.419 175.419 175.443 -0.024 25887 3927 1 10 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.396 -0.333 25887 3928 1 10 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.414 -0.524 25887 3929 1 10 . 1 1 141 141 LEU N N 141 123.715 123.715 125.001 -1.286 25887 3930 1 10 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.497 -0.321 25887 3931 1 10 . 1 1 141 141 LEU C C 141 175.870 175.870 175.183 0.687 25887 3932 1 10 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.184 1.006 25887 3933 1 10 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.903 -2.225 25887 3934 1 10 . 1 1 141 141 LEU H H 141 8.569 8.569 7.981 0.588 25887 3935 1 10 . 1 1 142 142 VAL N N 142 131.573 131.573 125.454 6.119 25887 3936 1 10 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.792 0.358 25887 3937 1 10 . 1 1 142 142 VAL C C 142 174.198 174.198 174.777 -0.579 25887 3938 1 10 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.915 -0.332 25887 3939 1 10 . 1 1 142 142 VAL CB C 142 33.230 33.230 32.813 0.417 25887 3940 1 10 . 1 1 142 142 VAL H H 142 9.005 9.005 8.315 0.690 25887 3941 1 10 . 1 1 143 143 THR N N 143 121.430 121.430 123.398 -1.968 25887 3942 1 10 . 1 1 143 143 THR HA H 143 4.967 4.967 4.868 0.099 25887 3943 1 10 . 1 1 143 143 THR C C 143 172.546 172.546 173.572 -1.026 25887 3944 1 10 . 1 1 143 143 THR CA C 143 61.343 61.343 62.592 -1.249 25887 3945 1 10 . 1 1 143 143 THR CB C 143 69.917 69.917 70.099 -0.182 25887 3946 1 10 . 1 1 143 143 THR H H 143 8.744 8.744 8.372 0.372 25887 3947 1 10 . 1 1 144 144 LYS N N 144 126.310 126.310 127.218 -0.908 25887 3948 1 10 . 1 1 144 144 LYS HA H 144 5.589 5.589 4.946 0.643 25887 3949 1 10 . 1 1 144 144 LYS C C 144 175.839 175.839 176.047 -0.208 25887 3950 1 10 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.191 -0.524 25887 3951 1 10 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.203 0.374 25887 3952 1 10 . 1 1 144 144 LYS H H 144 9.397 9.397 8.213 1.184 25887 3953 1 10 . 1 1 145 145 MET N N 145 117.942 117.942 118.019 -0.077 25887 3954 1 10 . 1 1 145 145 MET HA H 145 5.058 5.058 4.940 0.118 25887 3955 1 10 . 1 1 145 145 MET C C 145 174.454 174.454 173.413 1.041 25887 3956 1 10 . 1 1 145 145 MET CA C 145 54.843 54.843 54.428 0.415 25887 3957 1 10 . 1 1 145 145 MET CB C 145 35.827 35.827 34.643 1.184 25887 3958 1 10 . 1 1 145 145 MET H H 145 8.729 8.729 8.588 0.141 25887 3959 1 10 . 1 1 146 146 CYS N N 146 119.031 119.031 116.230 2.801 25887 3960 1 10 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.084 0.424 25887 3961 1 10 . 1 1 146 146 CYS C C 146 175.029 175.029 173.896 1.133 25887 3962 1 10 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.779 -1.110 25887 3963 1 10 . 1 1 146 146 CYS CB C 146 46.298 46.298 31.107 15.191 25887 3964 1 10 . 1 1 146 146 CYS H H 146 8.642 8.642 8.459 0.183 25887 3965 1 10 . 1 1 147 147 HIS N N 147 120.858 120.858 117.195 3.663 25887 3966 1 10 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.788 -0.145 25887 3967 1 10 . 1 1 147 147 HIS C C 147 173.223 173.223 174.220 -0.997 25887 3968 1 10 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.258 1.343 25887 3969 1 10 . 1 1 147 147 HIS CB C 147 33.820 33.820 32.708 1.112 25887 3970 1 10 . 1 1 147 147 HIS H H 147 9.423 9.423 8.363 1.060 25887 3971 1 10 . 1 1 148 148 ILE N N 148 125.370 125.370 120.449 4.921 25887 3972 1 10 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.243 0.127 25887 3973 1 10 . 1 1 148 148 ILE CA C 148 62.538 62.538 62.138 0.400 25887 3974 1 10 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.834 -0.738 25887 3975 1 10 . 1 1 148 148 ILE H H 148 8.374 8.374 8.061 0.313 25887 3976 1 10 . 1 1 149 149 GLY N N 149 118.093 118.093 107.680 10.413 25887 3977 1 10 . 1 1 149 149 GLY C C 149 170.853 170.853 174.370 -3.517 25887 3978 1 10 . 1 1 149 149 GLY CA C 149 43.541 43.541 43.984 -0.443 25887 3979 1 10 . 1 1 149 149 GLY H H 149 8.367 8.367 7.607 0.760 25887 3980 1 10 . 1 1 150 150 CYS N N 150 118.529 118.529 121.680 -3.151 25887 3981 1 10 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.200 0.618 25887 3982 1 10 . 1 1 150 150 CYS CA C 150 50.265 50.265 57.955 -7.690 25887 3983 1 10 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.007 12.745 25887 3984 1 10 . 1 1 150 150 CYS H H 150 8.187 8.187 8.669 -0.482 25887 3985 1 10 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.123 0.221 25887 3986 1 10 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.521 -0.093 25887 3987 1 10 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.163 -0.491 25887 3988 1 10 . 1 1 152 152 ASP N N 152 117.148 117.148 119.789 -2.641 25887 3989 1 10 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.795 -0.155 25887 3990 1 10 . 1 1 152 152 ASP C C 152 175.624 175.624 175.985 -0.361 25887 3991 1 10 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.919 -2.509 25887 3992 1 10 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.190 0.501 25887 3993 1 10 . 1 1 152 152 ASP H H 152 7.668 7.668 8.552 -0.884 25887 3994 1 10 . 1 1 153 153 ILE N N 153 119.719 119.719 122.671 -2.952 25887 3995 1 10 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.464 -0.551 25887 3996 1 10 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.592 6.404 25887 3997 1 10 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.296 -2.302 25887 3998 1 10 . 1 1 153 153 ILE H H 153 8.327 8.327 7.428 0.899 25887 3999 1 10 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.424 -0.060 25887 4000 1 10 . 1 1 154 154 PRO C C 154 178.333 178.333 178.247 0.086 25887 4001 1 10 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.713 0.290 25887 4002 1 10 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.712 -0.935 25887 4003 1 10 . 1 1 155 155 SER N N 155 112.667 112.667 114.038 -1.371 25887 4004 1 10 . 1 1 155 155 SER HA H 155 4.303 4.303 4.178 0.125 25887 4005 1 10 . 1 1 155 155 SER C C 155 175.450 175.450 175.380 0.070 25887 4006 1 10 . 1 1 155 155 SER CA C 155 60.312 60.312 60.368 -0.056 25887 4007 1 10 . 1 1 155 155 SER CB C 155 62.816 62.816 62.524 0.292 25887 4008 1 10 . 1 1 155 155 SER H H 155 7.883 7.883 8.294 -0.411 25887 4009 1 10 . 1 1 156 156 LEU N N 156 120.903 120.903 119.906 0.997 25887 4010 1 10 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.104 0.201 25887 4011 1 10 . 1 1 156 156 LEU C C 156 177.974 177.974 177.729 0.245 25887 4012 1 10 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.637 -0.121 25887 4013 1 10 . 1 1 156 156 LEU CB C 156 42.080 42.080 41.802 0.278 25887 4014 1 10 . 1 1 156 156 LEU H H 156 7.770 7.770 7.289 0.481 25887 4015 1 10 . 1 1 157 157 GLY N N 157 105.004 105.004 107.689 -2.685 25887 4016 1 10 . 1 1 157 157 GLY C C 157 174.321 174.321 174.255 0.066 25887 4017 1 10 . 1 1 157 157 GLY CA C 157 46.187 46.187 46.139 0.048 25887 4018 1 10 . 1 1 157 157 GLY H H 157 7.666 7.666 7.530 0.136 25887 4019 1 10 . 1 1 158 158 LEU N N 158 119.534 119.534 120.092 -0.558 25887 4020 1 10 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.518 0.014 25887 4021 1 10 . 1 1 158 158 LEU C C 158 176.712 176.712 177.085 -0.373 25887 4022 1 10 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.397 -1.637 25887 4023 1 10 . 1 1 158 158 LEU CB C 158 42.761 42.761 43.267 -0.506 25887 4024 1 10 . 1 1 158 158 LEU H H 158 8.203 8.203 8.130 0.073 25887 4025 1 10 . 1 1 159 159 GLY N N 159 108.700 108.700 107.050 1.650 25887 4026 1 10 . 1 1 159 159 GLY CA C 159 44.416 44.416 46.088 -1.672 25887 4027 1 10 . 1 1 159 159 GLY H H 159 8.055 8.055 7.939 0.116 25887 4028 1 10 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.315 0.061 25887 4029 1 10 . 1 1 160 160 PRO C C 160 177.112 177.112 175.973 1.139 25887 4030 1 10 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.268 -0.957 25887 4031 1 10 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.369 -0.807 25887 4032 1 10 . 1 1 161 161 TYR N N 161 119.287 119.287 114.959 4.328 25887 4033 1 10 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.555 0.263 25887 4034 1 10 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.657 -1.238 25887 4035 1 10 . 1 1 161 161 TYR CB C 161 36.961 36.961 41.006 -4.045 25887 4036 1 10 . 1 1 161 161 TYR H H 161 8.130 8.130 7.559 0.571 25887 4037 1 10 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.275 0.458 25887 4038 1 10 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.228 -1.882 25887 4039 1 10 . 1 1 162 162 VAL CB C 162 38.408 38.408 36.077 2.331 25887 4040 1 10 . 1 1 163 163 SER N N 163 119.428 119.428 122.143 -2.715 25887 4041 1 10 . 1 1 163 163 SER HA H 163 4.788 4.788 4.651 0.137 25887 4042 1 10 . 1 1 163 163 SER C C 163 173.141 173.141 173.665 -0.524 25887 4043 1 10 . 1 1 163 163 SER CA C 163 56.672 56.672 58.928 -2.256 25887 4044 1 10 . 1 1 163 163 SER CB C 163 64.650 64.650 62.907 1.743 25887 4045 1 10 . 1 1 163 163 SER H H 163 8.641 8.641 8.612 0.029 25887 4046 1 10 . 1 1 164 164 ILE N N 164 123.448 123.448 125.702 -2.254 25887 4047 1 10 . 1 1 164 164 ILE HA H 164 4.746 4.746 5.043 -0.297 25887 4048 1 10 . 1 1 164 164 ILE CA C 164 60.629 60.629 59.828 0.801 25887 4049 1 10 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.182 1.129 25887 4050 1 10 . 1 1 164 164 ILE H H 164 8.496 8.496 7.865 0.631 25887 4051 1 10 . 1 1 165 165 ALA N N 165 129.783 129.783 128.365 1.418 25887 4052 1 10 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.725 0.145 25887 4053 1 10 . 1 1 165 165 ALA C C 165 176.219 176.219 175.821 0.398 25887 4054 1 10 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.719 0.061 25887 4055 1 10 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.741 0.607 25887 4056 1 10 . 1 1 165 165 ALA H H 165 8.941 8.941 8.779 0.162 25887 4057 1 10 . 1 1 166 166 CYS N N 166 119.842 119.842 123.382 -3.540 25887 4058 1 10 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.059 0.493 25887 4059 1 10 . 1 1 166 166 CYS C C 166 172.289 172.289 175.104 -2.815 25887 4060 1 10 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.424 -4.305 25887 4061 1 10 . 1 1 166 166 CYS CB C 166 48.826 48.826 25.540 23.286 25887 4062 1 10 . 1 1 166 166 CYS H H 166 9.049 9.049 8.718 0.331 25887 4063 1 10 . 1 1 167 167 CYS N N 167 118.569 118.569 125.754 -7.185 25887 4064 1 10 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.851 0.385 25887 4065 1 10 . 1 1 167 167 CYS C C 167 173.562 173.562 174.451 -0.889 25887 4066 1 10 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.404 -2.263 25887 4067 1 10 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.764 14.699 25887 4068 1 10 . 1 1 167 167 CYS H H 167 9.297 9.297 8.560 0.737 25887 4069 1 10 . 1 1 168 168 GLN N N 168 118.916 118.916 123.279 -4.363 25887 4070 1 10 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.388 0.442 25887 4071 1 10 . 1 1 168 168 GLN C C 168 174.362 174.362 174.828 -0.466 25887 4072 1 10 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.412 0.573 25887 4073 1 10 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.614 4.074 25887 4074 1 10 . 1 1 168 168 GLN H H 168 9.105 9.105 8.805 0.300 25887 4075 1 10 . 1 1 169 169 THR N N 169 110.926 110.926 113.211 -2.285 25887 4076 1 10 . 1 1 169 169 THR HA H 169 4.813 4.813 4.568 0.245 25887 4077 1 10 . 1 1 169 169 THR C C 169 173.859 173.859 173.664 0.195 25887 4078 1 10 . 1 1 169 169 THR CA C 169 60.038 60.038 59.924 0.114 25887 4079 1 10 . 1 1 169 169 THR CB C 169 71.377 71.377 71.619 -0.242 25887 4080 1 10 . 1 1 169 169 THR H H 169 7.540 7.540 7.505 0.035 25887 4081 1 10 . 1 1 170 170 SER N N 170 117.386 117.386 119.515 -2.129 25887 4082 1 10 . 1 1 170 170 SER HA H 170 4.850 4.850 4.276 0.574 25887 4083 1 10 . 1 1 170 170 SER C C 170 175.757 175.757 175.554 0.203 25887 4084 1 10 . 1 1 170 170 SER CA C 170 60.987 60.987 59.067 1.920 25887 4085 1 10 . 1 1 170 170 SER CB C 170 63.104 63.104 63.221 -0.117 25887 4086 1 10 . 1 1 170 170 SER H H 170 8.814 8.814 8.471 0.343 25887 4087 1 10 . 1 1 171 171 LEU N N 171 116.724 116.724 119.914 -3.190 25887 4088 1 10 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.744 -0.084 25887 4089 1 10 . 1 1 171 171 LEU C C 171 176.055 176.055 177.155 -1.100 25887 4090 1 10 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.311 0.714 25887 4091 1 10 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.330 -2.042 25887 4092 1 10 . 1 1 171 171 LEU H H 171 9.570 9.570 8.554 1.016 25887 4093 1 10 . 1 1 172 172 CYS N N 172 113.842 113.842 114.397 -0.555 25887 4094 1 10 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.477 0.137 25887 4095 1 10 . 1 1 172 172 CYS C C 172 174.424 174.424 174.714 -0.290 25887 4096 1 10 . 1 1 172 172 CYS CA C 172 57.810 57.810 58.052 -0.242 25887 4097 1 10 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.851 19.720 25887 4098 1 10 . 1 1 172 172 CYS H H 172 8.221 8.221 7.822 0.399 25887 4099 1 10 . 1 1 173 173 ASN N N 173 121.019 121.019 118.067 2.952 25887 4100 1 10 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.878 -0.121 25887 4101 1 10 . 1 1 173 173 ASN C C 173 174.239 174.239 175.551 -1.312 25887 4102 1 10 . 1 1 173 173 ASN CA C 173 51.765 51.765 52.795 -1.030 25887 4103 1 10 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.843 -3.442 25887 4104 1 10 . 1 1 173 173 ASN H H 173 8.458 8.458 8.199 0.259 25887 4105 1 10 . 1 1 174 174 HIS N N 174 115.973 115.973 118.880 -2.907 25887 4106 1 10 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.786 -0.474 25887 4107 1 10 . 1 1 174 174 HIS C C 174 173.213 173.213 174.541 -1.328 25887 4108 1 10 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.227 -1.383 25887 4109 1 10 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.799 -1.688 25887 4110 1 10 . 1 1 174 174 HIS H H 174 7.170 7.170 7.653 -0.483 25887 4111 1 11 . 1 1 101 101 ILE N N 101 123.543 123.543 118.312 5.231 25887 4112 1 11 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.746 -0.138 25887 4113 1 11 . 1 1 101 101 ILE C C 101 172.659 172.659 173.789 -1.130 25887 4114 1 11 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.672 0.982 25887 4115 1 11 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.193 0.108 25887 4116 1 11 . 1 1 101 101 ILE H H 101 8.681 8.681 8.316 0.365 25887 4117 1 11 . 1 1 102 102 TRP N N 102 123.817 123.817 122.159 1.658 25887 4118 1 11 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.236 -0.138 25887 4119 1 11 . 1 1 102 102 TRP C C 102 175.757 175.757 175.979 -0.222 25887 4120 1 11 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.165 -0.386 25887 4121 1 11 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.970 0.236 25887 4122 1 11 . 1 1 102 102 TRP H H 102 8.008 8.008 8.495 -0.487 25887 4123 1 11 . 1 1 103 103 CYS N N 103 116.424 116.424 118.103 -1.679 25887 4124 1 11 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.773 0.322 25887 4125 1 11 . 1 1 103 103 CYS C C 103 175.070 175.070 173.450 1.620 25887 4126 1 11 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.793 -5.782 25887 4127 1 11 . 1 1 103 103 CYS CB C 103 41.944 41.944 32.439 9.505 25887 4128 1 11 . 1 1 103 103 CYS H H 103 8.481 8.481 9.293 -0.812 25887 4129 1 11 . 1 1 104 104 HIS N N 104 123.159 123.159 119.529 3.630 25887 4130 1 11 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.138 -0.542 25887 4131 1 11 . 1 1 104 104 HIS C C 104 176.075 176.075 175.463 0.612 25887 4132 1 11 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.687 3.046 25887 4133 1 11 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.249 0.735 25887 4134 1 11 . 1 1 104 104 HIS H H 104 9.364 9.364 8.610 0.754 25887 4135 1 11 . 1 1 105 105 GLN N N 105 123.570 123.570 122.859 0.711 25887 4136 1 11 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.888 0.090 25887 4137 1 11 . 1 1 105 105 GLN C C 105 173.623 173.623 175.501 -1.878 25887 4138 1 11 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.160 -0.791 25887 4139 1 11 . 1 1 105 105 GLN CB C 105 30.782 30.782 28.933 1.849 25887 4140 1 11 . 1 1 105 105 GLN H H 105 8.108 8.108 8.129 -0.021 25887 4141 1 11 . 1 1 106 106 CYS N N 106 118.604 118.604 120.084 -1.480 25887 4142 1 11 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.642 0.309 25887 4143 1 11 . 1 1 106 106 CYS C C 106 171.120 171.120 176.288 -5.168 25887 4144 1 11 . 1 1 106 106 CYS CA C 106 53.907 53.907 59.041 -5.134 25887 4145 1 11 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.379 11.260 25887 4146 1 11 . 1 1 106 106 CYS H H 106 8.458 8.458 8.353 0.105 25887 4147 1 11 . 1 1 107 107 THR N N 107 113.541 113.541 118.055 -4.514 25887 4148 1 11 . 1 1 107 107 THR HA H 107 5.500 5.500 4.172 1.328 25887 4149 1 11 . 1 1 107 107 THR C C 107 173.592 173.592 174.542 -0.950 25887 4150 1 11 . 1 1 107 107 THR CA C 107 60.161 60.161 65.016 -4.855 25887 4151 1 11 . 1 1 107 107 THR CB C 107 71.879 71.879 69.349 2.530 25887 4152 1 11 . 1 1 107 107 THR H H 107 8.400 8.400 8.801 -0.401 25887 4153 1 11 . 1 1 108 108 GLY N N 108 110.549 110.549 108.714 1.835 25887 4154 1 11 . 1 1 108 108 GLY C C 108 171.694 171.694 172.346 -0.652 25887 4155 1 11 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.561 0.887 25887 4156 1 11 . 1 1 108 108 GLY H H 108 8.817 8.817 7.537 1.280 25887 4157 1 11 . 1 1 109 109 PHE N N 109 120.830 120.830 124.023 -3.193 25887 4158 1 11 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.741 0.383 25887 4159 1 11 . 1 1 109 109 PHE C C 109 177.225 177.225 175.445 1.780 25887 4160 1 11 . 1 1 109 109 PHE CA C 109 58.438 58.438 56.880 1.558 25887 4161 1 11 . 1 1 109 109 PHE CB C 109 38.408 38.408 39.593 -1.185 25887 4162 1 11 . 1 1 109 109 PHE H H 109 8.924 8.924 7.816 1.108 25887 4163 1 11 . 1 1 110 110 GLY N N 110 113.069 113.069 110.310 2.759 25887 4164 1 11 . 1 1 110 110 GLY C C 110 172.546 172.546 175.438 -2.892 25887 4165 1 11 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.332 0.376 25887 4166 1 11 . 1 1 110 110 GLY H H 110 9.442 9.442 8.286 1.156 25887 4167 1 11 . 1 1 111 111 GLY N N 111 106.335 106.335 106.449 -0.114 25887 4168 1 11 . 1 1 111 111 GLY C C 111 171.664 171.664 175.161 -3.497 25887 4169 1 11 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.867 -0.611 25887 4170 1 11 . 1 1 111 111 GLY H H 111 7.095 7.095 8.220 -1.125 25887 4171 1 11 . 1 1 112 112 CYS N N 112 111.804 111.804 115.131 -3.327 25887 4172 1 11 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.325 0.431 25887 4173 1 11 . 1 1 112 112 CYS C C 112 171.027 171.027 174.646 -3.619 25887 4174 1 11 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.425 -2.302 25887 4175 1 11 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.105 13.685 25887 4176 1 11 . 1 1 112 112 CYS H H 112 8.477 8.477 8.029 0.448 25887 4177 1 11 . 1 1 113 113 SER N N 113 116.083 116.083 115.738 0.345 25887 4178 1 11 . 1 1 113 113 SER HA H 113 4.603 4.603 4.271 0.332 25887 4179 1 11 . 1 1 113 113 SER C C 113 174.536 174.536 173.095 1.441 25887 4180 1 11 . 1 1 113 113 SER CA C 113 56.493 56.493 57.694 -1.201 25887 4181 1 11 . 1 1 113 113 SER CB C 113 65.160 65.160 65.805 -0.645 25887 4182 1 11 . 1 1 113 113 SER H H 113 8.693 8.693 8.355 0.338 25887 4183 1 11 . 1 1 114 114 HIS N N 114 126.668 126.668 119.358 7.310 25887 4184 1 11 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.651 -0.083 25887 4185 1 11 . 1 1 114 114 HIS C C 114 172.515 172.515 174.352 -1.837 25887 4186 1 11 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.658 0.229 25887 4187 1 11 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.362 -5.086 25887 4188 1 11 . 1 1 114 114 HIS H H 114 11.587 11.587 8.837 2.750 25887 4189 1 11 . 1 1 115 115 GLY N N 115 119.128 119.128 112.768 6.360 25887 4190 1 11 . 1 1 115 115 GLY C C 115 173.018 173.018 173.167 -0.149 25887 4191 1 11 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.636 0.821 25887 4192 1 11 . 1 1 115 115 GLY H H 115 9.361 9.361 8.602 0.759 25887 4193 1 11 . 1 1 116 116 SER N N 116 118.656 118.656 119.078 -0.422 25887 4194 1 11 . 1 1 116 116 SER HA H 116 4.451 4.451 5.079 -0.628 25887 4195 1 11 . 1 1 116 116 SER C C 116 171.848 171.848 173.190 -1.342 25887 4196 1 11 . 1 1 116 116 SER CA C 116 57.256 57.256 56.142 1.114 25887 4197 1 11 . 1 1 116 116 SER CB C 116 64.697 64.697 65.156 -0.459 25887 4198 1 11 . 1 1 116 116 SER H H 116 8.151 8.151 8.979 -0.828 25887 4199 1 11 . 1 1 117 117 ARG N N 117 124.682 124.682 120.224 4.458 25887 4200 1 11 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.725 -0.771 25887 4201 1 11 . 1 1 117 117 ARG C C 117 176.671 176.671 175.793 0.878 25887 4202 1 11 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.349 1.406 25887 4203 1 11 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.839 0.278 25887 4204 1 11 . 1 1 117 117 ARG H H 117 7.629 7.629 8.302 -0.673 25887 4205 1 11 . 1 1 118 118 CYS N N 118 122.932 122.932 121.306 1.626 25887 4206 1 11 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.343 0.531 25887 4207 1 11 . 1 1 118 118 CYS C C 118 174.577 174.577 174.591 -0.014 25887 4208 1 11 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.511 -5.515 25887 4209 1 11 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.402 10.895 25887 4210 1 11 . 1 1 118 118 CYS H H 118 7.852 7.852 7.731 0.121 25887 4211 1 11 . 1 1 119 119 LEU N N 119 120.027 120.027 121.998 -1.971 25887 4212 1 11 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.339 -0.038 25887 4213 1 11 . 1 1 119 119 LEU C C 119 178.394 178.394 178.197 0.197 25887 4214 1 11 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.587 0.629 25887 4215 1 11 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.578 -0.887 25887 4216 1 11 . 1 1 119 119 LEU H H 119 7.980 7.980 8.277 -0.297 25887 4217 1 11 . 1 1 120 120 ARG N N 120 120.159 120.159 121.960 -1.801 25887 4218 1 11 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.871 0.167 25887 4219 1 11 . 1 1 120 120 ARG C C 120 175.624 175.624 176.716 -1.092 25887 4220 1 11 . 1 1 120 120 ARG CA C 120 58.416 58.416 59.278 -0.862 25887 4221 1 11 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.930 0.058 25887 4222 1 11 . 1 1 120 120 ARG H H 120 8.523 8.523 8.571 -0.048 25887 4223 1 11 . 1 1 121 121 ASP N N 121 115.199 115.199 117.343 -2.144 25887 4224 1 11 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.466 0.064 25887 4225 1 11 . 1 1 121 121 ASP C C 121 175.593 175.593 176.318 -0.725 25887 4226 1 11 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.367 -0.943 25887 4227 1 11 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.743 -0.709 25887 4228 1 11 . 1 1 121 121 ASP H H 121 8.252 8.252 8.324 -0.072 25887 4229 1 11 . 1 1 122 122 SER N N 122 114.383 114.383 115.102 -0.719 25887 4230 1 11 . 1 1 122 122 SER HA H 122 4.124 4.124 4.280 -0.156 25887 4231 1 11 . 1 1 122 122 SER C C 122 173.264 173.264 173.973 -0.709 25887 4232 1 11 . 1 1 122 122 SER CA C 122 60.703 60.703 58.465 2.238 25887 4233 1 11 . 1 1 122 122 SER CB C 122 62.879 62.879 63.378 -0.499 25887 4234 1 11 . 1 1 122 122 SER H H 122 7.612 7.612 7.609 0.003 25887 4235 1 11 . 1 1 123 123 THR N N 123 111.852 111.852 120.065 -8.213 25887 4236 1 11 . 1 1 123 123 THR HA H 123 4.519 4.519 4.476 0.043 25887 4237 1 11 . 1 1 123 123 THR C C 123 173.356 173.356 173.778 -0.422 25887 4238 1 11 . 1 1 123 123 THR CA C 123 61.888 61.888 61.831 0.057 25887 4239 1 11 . 1 1 123 123 THR CB C 123 70.830 70.830 69.390 1.440 25887 4240 1 11 . 1 1 123 123 THR H H 123 8.413 8.413 8.070 0.343 25887 4241 1 11 . 1 1 124 124 HIS N N 124 120.615 120.615 117.805 2.810 25887 4242 1 11 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.844 0.312 25887 4243 1 11 . 1 1 124 124 HIS C C 124 174.177 174.177 174.064 0.113 25887 4244 1 11 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.015 0.985 25887 4245 1 11 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.895 0.849 25887 4246 1 11 . 1 1 124 124 HIS H H 124 8.630 8.630 7.568 1.062 25887 4247 1 11 . 1 1 125 125 CYS N N 125 115.755 115.755 117.632 -1.877 25887 4248 1 11 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.256 0.460 25887 4249 1 11 . 1 1 125 125 CYS C C 125 174.906 174.906 173.399 1.507 25887 4250 1 11 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.784 -5.612 25887 4251 1 11 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.793 6.691 25887 4252 1 11 . 1 1 125 125 CYS H H 125 9.102 9.102 8.608 0.494 25887 4253 1 11 . 1 1 126 126 VAL N N 126 121.353 121.353 122.304 -0.951 25887 4254 1 11 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.443 0.756 25887 4255 1 11 . 1 1 126 126 VAL C C 126 176.004 176.004 174.935 1.069 25887 4256 1 11 . 1 1 126 126 VAL CA C 126 60.555 60.555 61.684 -1.129 25887 4257 1 11 . 1 1 126 126 VAL CB C 126 35.605 35.605 34.459 1.146 25887 4258 1 11 . 1 1 126 126 VAL H H 126 9.077 9.077 9.246 -0.169 25887 4259 1 11 . 1 1 127 127 THR N N 127 125.497 125.497 124.451 1.046 25887 4260 1 11 . 1 1 127 127 THR HA H 127 5.192 5.192 4.764 0.428 25887 4261 1 11 . 1 1 127 127 THR C C 127 173.510 173.510 173.500 0.010 25887 4262 1 11 . 1 1 127 127 THR CA C 127 61.909 61.909 61.236 0.673 25887 4263 1 11 . 1 1 127 127 THR CB C 127 71.018 71.018 69.276 1.742 25887 4264 1 11 . 1 1 127 127 THR H H 127 9.031 9.031 8.943 0.088 25887 4265 1 11 . 1 1 128 128 THR N N 128 121.196 121.196 118.246 2.950 25887 4266 1 11 . 1 1 128 128 THR HA H 128 5.500 5.500 5.283 0.217 25887 4267 1 11 . 1 1 128 128 THR C C 128 172.228 172.228 172.469 -0.241 25887 4268 1 11 . 1 1 128 128 THR CA C 128 59.004 59.004 59.497 -0.493 25887 4269 1 11 . 1 1 128 128 THR CB C 128 70.306 70.306 71.334 -1.028 25887 4270 1 11 . 1 1 128 128 THR H H 128 9.625 9.625 8.530 1.095 25887 4271 1 11 . 1 1 129 129 ALA N N 129 124.169 124.169 128.543 -4.374 25887 4272 1 11 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.943 0.557 25887 4273 1 11 . 1 1 129 129 ALA C C 129 176.424 176.424 176.079 0.345 25887 4274 1 11 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.447 0.048 25887 4275 1 11 . 1 1 129 129 ALA CB C 129 21.348 21.348 20.927 0.421 25887 4276 1 11 . 1 1 129 129 ALA H H 129 8.539 8.539 8.303 0.236 25887 4277 1 11 . 1 1 130 130 THR N N 130 116.687 116.687 115.374 1.313 25887 4278 1 11 . 1 1 130 130 THR HA H 130 4.890 4.890 5.029 -0.139 25887 4279 1 11 . 1 1 130 130 THR C C 130 172.854 172.854 173.808 -0.954 25887 4280 1 11 . 1 1 130 130 THR CA C 130 60.678 60.678 59.628 1.050 25887 4281 1 11 . 1 1 130 130 THR CB C 130 70.352 70.352 71.658 -1.306 25887 4282 1 11 . 1 1 130 130 THR H H 130 8.636 8.636 8.301 0.335 25887 4283 1 11 . 1 1 131 131 ARG N N 131 124.260 124.260 120.348 3.912 25887 4284 1 11 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.724 -0.074 25887 4285 1 11 . 1 1 131 131 ARG C C 131 175.603 175.603 174.905 0.698 25887 4286 1 11 . 1 1 131 131 ARG CA C 131 55.458 55.458 54.781 0.677 25887 4287 1 11 . 1 1 131 131 ARG CB C 131 30.755 30.755 33.142 -2.387 25887 4288 1 11 . 1 1 131 131 ARG H H 131 8.540 8.540 8.459 0.081 25887 4289 1 11 . 1 1 132 132 VAL N N 132 121.349 121.349 115.962 5.387 25887 4290 1 11 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.495 -0.263 25887 4291 1 11 . 1 1 132 132 VAL C C 132 175.727 175.727 175.944 -0.217 25887 4292 1 11 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.140 0.695 25887 4293 1 11 . 1 1 132 132 VAL CB C 132 32.636 32.636 33.922 -1.286 25887 4294 1 11 . 1 1 132 132 VAL H H 132 8.430 8.430 8.563 -0.133 25887 4295 1 11 . 1 1 133 133 LEU N N 133 124.364 124.364 122.059 2.305 25887 4296 1 11 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.226 0.226 25887 4297 1 11 . 1 1 133 133 LEU C C 133 176.753 176.753 176.596 0.157 25887 4298 1 11 . 1 1 133 133 LEU CA C 133 54.748 54.748 55.664 -0.916 25887 4299 1 11 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.073 -0.200 25887 4300 1 11 . 1 1 133 133 LEU H H 133 8.246 8.246 8.361 -0.115 25887 4301 1 11 . 1 1 134 134 SER N N 134 114.791 114.791 114.555 0.236 25887 4302 1 11 . 1 1 134 134 SER HA H 134 4.490 4.490 4.294 0.196 25887 4303 1 11 . 1 1 134 134 SER C C 134 173.900 173.900 175.128 -1.228 25887 4304 1 11 . 1 1 134 134 SER CA C 134 57.970 57.970 58.241 -0.271 25887 4305 1 11 . 1 1 134 134 SER CB C 134 63.375 63.375 64.953 -1.578 25887 4306 1 11 . 1 1 134 134 SER H H 134 8.078 8.078 7.633 0.445 25887 4307 1 11 . 1 1 135 135 ASN N N 135 119.634 119.634 121.174 -1.540 25887 4308 1 11 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.462 0.315 25887 4309 1 11 . 1 1 135 135 ASN C C 135 175.337 175.337 175.905 -0.568 25887 4310 1 11 . 1 1 135 135 ASN CA C 135 53.070 53.070 55.352 -2.282 25887 4311 1 11 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.537 -0.191 25887 4312 1 11 . 1 1 135 135 ASN H H 135 8.287 8.287 8.708 -0.421 25887 4313 1 11 . 1 1 136 136 THR N N 136 112.097 112.097 115.601 -3.504 25887 4314 1 11 . 1 1 136 136 THR HA H 136 4.311 4.311 4.178 0.133 25887 4315 1 11 . 1 1 136 136 THR C C 136 174.280 174.280 174.212 0.068 25887 4316 1 11 . 1 1 136 136 THR CA C 136 62.131 62.131 63.384 -1.253 25887 4317 1 11 . 1 1 136 136 THR CB C 136 69.106 69.106 68.983 0.123 25887 4318 1 11 . 1 1 136 136 THR H H 136 8.085 8.085 7.920 0.165 25887 4319 1 11 . 1 1 137 137 GLU N N 137 120.207 120.207 126.183 -5.976 25887 4320 1 11 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.009 0.355 25887 4321 1 11 . 1 1 137 137 GLU C C 137 175.296 175.296 175.474 -0.178 25887 4322 1 11 . 1 1 137 137 GLU CA C 137 55.754 55.754 57.555 -1.801 25887 4323 1 11 . 1 1 137 137 GLU CB C 137 29.189 29.189 28.760 0.429 25887 4324 1 11 . 1 1 137 137 GLU H H 137 8.035 8.035 8.943 -0.908 25887 4325 1 11 . 1 1 138 138 ASP N N 138 119.742 119.742 119.604 0.138 25887 4326 1 11 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.785 -0.180 25887 4327 1 11 . 1 1 138 138 ASP C C 138 174.978 174.978 176.385 -1.407 25887 4328 1 11 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.321 -0.441 25887 4329 1 11 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.574 -1.339 25887 4330 1 11 . 1 1 138 138 ASP H H 138 8.097 8.097 8.727 -0.630 25887 4331 1 11 . 1 1 139 139 LEU N N 139 121.008 121.008 118.716 2.292 25887 4332 1 11 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.435 0.342 25887 4333 1 11 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.576 -0.565 25887 4334 1 11 . 1 1 139 139 LEU CB C 139 42.693 42.693 40.050 2.643 25887 4335 1 11 . 1 1 139 139 LEU H H 139 8.021 8.021 7.492 0.529 25887 4336 1 11 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.487 0.147 25887 4337 1 11 . 1 1 140 140 PRO C C 140 175.419 175.419 175.685 -0.266 25887 4338 1 11 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.455 -0.392 25887 4339 1 11 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.890 -1.000 25887 4340 1 11 . 1 1 141 141 LEU N N 141 123.715 123.715 120.460 3.255 25887 4341 1 11 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.672 -0.496 25887 4342 1 11 . 1 1 141 141 LEU C C 141 175.870 175.870 175.538 0.332 25887 4343 1 11 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.833 1.357 25887 4344 1 11 . 1 1 141 141 LEU CB C 141 41.678 41.678 44.415 -2.737 25887 4345 1 11 . 1 1 141 141 LEU H H 141 8.569 8.569 8.514 0.055 25887 4346 1 11 . 1 1 142 142 VAL N N 142 131.573 131.573 127.586 3.987 25887 4347 1 11 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.241 0.909 25887 4348 1 11 . 1 1 142 142 VAL C C 142 174.198 174.198 175.738 -1.540 25887 4349 1 11 . 1 1 142 142 VAL CA C 142 60.583 60.583 62.290 -1.707 25887 4350 1 11 . 1 1 142 142 VAL CB C 142 33.230 33.230 31.581 1.649 25887 4351 1 11 . 1 1 142 142 VAL H H 142 9.005 9.005 8.452 0.553 25887 4352 1 11 . 1 1 143 143 THR N N 143 121.430 121.430 125.207 -3.777 25887 4353 1 11 . 1 1 143 143 THR HA H 143 4.967 4.967 4.779 0.188 25887 4354 1 11 . 1 1 143 143 THR C C 143 172.546 172.546 173.785 -1.239 25887 4355 1 11 . 1 1 143 143 THR CA C 143 61.343 61.343 62.015 -0.672 25887 4356 1 11 . 1 1 143 143 THR CB C 143 69.917 69.917 68.823 1.094 25887 4357 1 11 . 1 1 143 143 THR H H 143 8.744 8.744 8.752 -0.008 25887 4358 1 11 . 1 1 144 144 LYS N N 144 126.310 126.310 128.227 -1.917 25887 4359 1 11 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.666 -0.077 25887 4360 1 11 . 1 1 144 144 LYS C C 144 175.839 175.839 176.238 -0.399 25887 4361 1 11 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.957 -0.290 25887 4362 1 11 . 1 1 144 144 LYS CB C 144 35.577 35.577 36.062 -0.485 25887 4363 1 11 . 1 1 144 144 LYS H H 144 9.397 9.397 8.231 1.166 25887 4364 1 11 . 1 1 145 145 MET N N 145 117.942 117.942 117.920 0.022 25887 4365 1 11 . 1 1 145 145 MET HA H 145 5.058 5.058 4.942 0.116 25887 4366 1 11 . 1 1 145 145 MET C C 145 174.454 174.454 173.307 1.147 25887 4367 1 11 . 1 1 145 145 MET CA C 145 54.843 54.843 54.655 0.188 25887 4368 1 11 . 1 1 145 145 MET CB C 145 35.827 35.827 35.252 0.575 25887 4369 1 11 . 1 1 145 145 MET H H 145 8.729 8.729 8.790 -0.061 25887 4370 1 11 . 1 1 146 146 CYS N N 146 119.031 119.031 117.906 1.125 25887 4371 1 11 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.398 0.110 25887 4372 1 11 . 1 1 146 146 CYS C C 146 175.029 175.029 174.390 0.639 25887 4373 1 11 . 1 1 146 146 CYS CA C 146 56.669 56.669 58.156 -1.487 25887 4374 1 11 . 1 1 146 146 CYS CB C 146 46.298 46.298 29.334 16.964 25887 4375 1 11 . 1 1 146 146 CYS H H 146 8.642 8.642 8.341 0.301 25887 4376 1 11 . 1 1 147 147 HIS N N 147 120.858 120.858 120.131 0.727 25887 4377 1 11 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.714 -0.071 25887 4378 1 11 . 1 1 147 147 HIS C C 147 173.223 173.223 174.721 -1.498 25887 4379 1 11 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.275 1.326 25887 4380 1 11 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.655 0.165 25887 4381 1 11 . 1 1 147 147 HIS H H 147 9.423 9.423 8.359 1.064 25887 4382 1 11 . 1 1 148 148 ILE N N 148 125.370 125.370 121.367 4.003 25887 4383 1 11 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.148 0.222 25887 4384 1 11 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.482 1.056 25887 4385 1 11 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.444 -0.348 25887 4386 1 11 . 1 1 148 148 ILE H H 148 8.374 8.374 8.108 0.266 25887 4387 1 11 . 1 1 149 149 GLY N N 149 118.093 118.093 110.709 7.384 25887 4388 1 11 . 1 1 149 149 GLY C C 149 170.853 170.853 172.189 -1.336 25887 4389 1 11 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.240 -1.699 25887 4390 1 11 . 1 1 149 149 GLY H H 149 8.367 8.367 7.850 0.517 25887 4391 1 11 . 1 1 150 150 CYS N N 150 118.529 118.529 121.111 -2.582 25887 4392 1 11 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.891 -0.073 25887 4393 1 11 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.251 -5.986 25887 4394 1 11 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.298 12.454 25887 4395 1 11 . 1 1 150 150 CYS H H 150 8.187 8.187 8.544 -0.357 25887 4396 1 11 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.599 -0.255 25887 4397 1 11 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.811 -0.383 25887 4398 1 11 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.865 -1.194 25887 4399 1 11 . 1 1 152 152 ASP N N 152 117.148 117.148 121.165 -4.017 25887 4400 1 11 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.435 0.205 25887 4401 1 11 . 1 1 152 152 ASP C C 152 175.624 175.624 175.822 -0.198 25887 4402 1 11 . 1 1 152 152 ASP CA C 152 51.410 51.410 55.085 -3.675 25887 4403 1 11 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.892 0.799 25887 4404 1 11 . 1 1 152 152 ASP H H 152 7.668 7.668 8.192 -0.524 25887 4405 1 11 . 1 1 153 153 ILE N N 153 119.719 119.719 118.165 1.554 25887 4406 1 11 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.903 0.010 25887 4407 1 11 . 1 1 153 153 ILE CA C 153 64.996 64.996 60.596 4.400 25887 4408 1 11 . 1 1 153 153 ILE CB C 153 35.994 35.994 35.846 0.148 25887 4409 1 11 . 1 1 153 153 ILE H H 153 8.327 8.327 8.160 0.167 25887 4410 1 11 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.695 -0.331 25887 4411 1 11 . 1 1 154 154 PRO C C 154 178.333 178.333 178.420 -0.087 25887 4412 1 11 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.257 0.746 25887 4413 1 11 . 1 1 154 154 PRO CB C 154 30.777 30.777 32.070 -1.293 25887 4414 1 11 . 1 1 155 155 SER N N 155 112.667 112.667 116.865 -4.198 25887 4415 1 11 . 1 1 155 155 SER HA H 155 4.303 4.303 4.327 -0.024 25887 4416 1 11 . 1 1 155 155 SER C C 155 175.450 175.450 175.327 0.123 25887 4417 1 11 . 1 1 155 155 SER CA C 155 60.312 60.312 61.026 -0.714 25887 4418 1 11 . 1 1 155 155 SER CB C 155 62.816 62.816 62.846 -0.030 25887 4419 1 11 . 1 1 155 155 SER H H 155 7.883 7.883 8.565 -0.682 25887 4420 1 11 . 1 1 156 156 LEU N N 156 120.903 120.903 114.782 6.121 25887 4421 1 11 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.680 -0.375 25887 4422 1 11 . 1 1 156 156 LEU C C 156 177.974 177.974 175.933 2.041 25887 4423 1 11 . 1 1 156 156 LEU CA C 156 55.516 55.516 54.357 1.159 25887 4424 1 11 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.411 -0.331 25887 4425 1 11 . 1 1 156 156 LEU H H 156 7.770 7.770 7.377 0.393 25887 4426 1 11 . 1 1 157 157 GLY N N 157 105.004 105.004 107.313 -2.309 25887 4427 1 11 . 1 1 157 157 GLY C C 157 174.321 174.321 172.777 1.544 25887 4428 1 11 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.464 0.723 25887 4429 1 11 . 1 1 157 157 GLY H H 157 7.666 7.666 7.262 0.404 25887 4430 1 11 . 1 1 158 158 LEU N N 158 119.534 119.534 121.326 -1.792 25887 4431 1 11 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.898 -0.366 25887 4432 1 11 . 1 1 158 158 LEU C C 158 176.712 176.712 177.190 -0.478 25887 4433 1 11 . 1 1 158 158 LEU CA C 158 53.760 53.760 54.927 -1.167 25887 4434 1 11 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.959 -0.198 25887 4435 1 11 . 1 1 158 158 LEU H H 158 8.203 8.203 8.399 -0.196 25887 4436 1 11 . 1 1 159 159 GLY N N 159 108.700 108.700 107.885 0.815 25887 4437 1 11 . 1 1 159 159 GLY CA C 159 44.416 44.416 43.920 0.496 25887 4438 1 11 . 1 1 159 159 GLY H H 159 8.055 8.055 7.879 0.176 25887 4439 1 11 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.293 0.083 25887 4440 1 11 . 1 1 160 160 PRO C C 160 177.112 177.112 175.981 1.131 25887 4441 1 11 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.404 -0.093 25887 4442 1 11 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.867 -0.305 25887 4443 1 11 . 1 1 161 161 TYR N N 161 119.287 119.287 117.041 2.246 25887 4444 1 11 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.424 0.394 25887 4445 1 11 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.718 -1.299 25887 4446 1 11 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.611 -0.650 25887 4447 1 11 . 1 1 161 161 TYR H H 161 8.130 8.130 7.326 0.804 25887 4448 1 11 . 1 1 162 162 VAL HA H 162 4.733 4.733 5.002 -0.269 25887 4449 1 11 . 1 1 162 162 VAL CA C 162 60.346 60.346 60.220 0.126 25887 4450 1 11 . 1 1 162 162 VAL CB C 162 38.408 38.408 34.684 3.724 25887 4451 1 11 . 1 1 163 163 SER N N 163 119.428 119.428 119.995 -0.567 25887 4452 1 11 . 1 1 163 163 SER HA H 163 4.788 4.788 4.802 -0.014 25887 4453 1 11 . 1 1 163 163 SER C C 163 173.141 173.141 173.535 -0.394 25887 4454 1 11 . 1 1 163 163 SER CA C 163 56.672 56.672 56.526 0.146 25887 4455 1 11 . 1 1 163 163 SER CB C 163 64.650 64.650 65.293 -0.643 25887 4456 1 11 . 1 1 163 163 SER H H 163 8.641 8.641 8.101 0.540 25887 4457 1 11 . 1 1 164 164 ILE N N 164 123.448 123.448 126.945 -3.497 25887 4458 1 11 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.546 0.200 25887 4459 1 11 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.630 -0.001 25887 4460 1 11 . 1 1 164 164 ILE CB C 164 41.311 41.311 39.369 1.942 25887 4461 1 11 . 1 1 164 164 ILE H H 164 8.496 8.496 8.682 -0.186 25887 4462 1 11 . 1 1 165 165 ALA N N 165 129.783 129.783 131.118 -1.335 25887 4463 1 11 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.765 0.105 25887 4464 1 11 . 1 1 165 165 ALA C C 165 176.219 176.219 175.593 0.626 25887 4465 1 11 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.888 -0.108 25887 4466 1 11 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.397 0.951 25887 4467 1 11 . 1 1 165 165 ALA H H 165 8.941 8.941 9.068 -0.127 25887 4468 1 11 . 1 1 166 166 CYS N N 166 119.842 119.842 121.136 -1.294 25887 4469 1 11 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.446 0.106 25887 4470 1 11 . 1 1 166 166 CYS C C 166 172.289 172.289 175.126 -2.837 25887 4471 1 11 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.396 -4.277 25887 4472 1 11 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.181 19.645 25887 4473 1 11 . 1 1 166 166 CYS H H 166 9.049 9.049 8.562 0.486 25887 4474 1 11 . 1 1 167 167 CYS N N 167 118.569 118.569 118.939 -0.370 25887 4475 1 11 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.771 0.465 25887 4476 1 11 . 1 1 167 167 CYS C C 167 173.562 173.562 173.138 0.424 25887 4477 1 11 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.392 -3.251 25887 4478 1 11 . 1 1 167 167 CYS CB C 167 45.463 45.463 29.862 15.601 25887 4479 1 11 . 1 1 167 167 CYS H H 167 9.297 9.297 8.828 0.469 25887 4480 1 11 . 1 1 168 168 GLN N N 168 118.916 118.916 119.913 -0.997 25887 4481 1 11 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.445 0.385 25887 4482 1 11 . 1 1 168 168 GLN C C 168 174.362 174.362 174.693 -0.331 25887 4483 1 11 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.653 0.332 25887 4484 1 11 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.211 4.477 25887 4485 1 11 . 1 1 168 168 GLN H H 168 9.105 9.105 8.595 0.510 25887 4486 1 11 . 1 1 169 169 THR N N 169 110.926 110.926 112.751 -1.825 25887 4487 1 11 . 1 1 169 169 THR HA H 169 4.813 4.813 4.597 0.216 25887 4488 1 11 . 1 1 169 169 THR C C 169 173.859 173.859 174.281 -0.422 25887 4489 1 11 . 1 1 169 169 THR CA C 169 60.038 60.038 60.016 0.022 25887 4490 1 11 . 1 1 169 169 THR CB C 169 71.377 71.377 71.385 -0.008 25887 4491 1 11 . 1 1 169 169 THR H H 169 7.540 7.540 7.486 0.054 25887 4492 1 11 . 1 1 170 170 SER N N 170 117.386 117.386 118.805 -1.419 25887 4493 1 11 . 1 1 170 170 SER HA H 170 4.850 4.850 4.370 0.480 25887 4494 1 11 . 1 1 170 170 SER C C 170 175.757 175.757 175.515 0.242 25887 4495 1 11 . 1 1 170 170 SER CA C 170 60.987 60.987 58.617 2.370 25887 4496 1 11 . 1 1 170 170 SER CB C 170 63.104 63.104 63.386 -0.283 25887 4497 1 11 . 1 1 170 170 SER H H 170 8.814 8.814 8.561 0.253 25887 4498 1 11 . 1 1 171 171 LEU N N 171 116.724 116.724 119.170 -2.446 25887 4499 1 11 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.963 -0.303 25887 4500 1 11 . 1 1 171 171 LEU C C 171 176.055 176.055 177.714 -1.659 25887 4501 1 11 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.337 0.688 25887 4502 1 11 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.116 -1.828 25887 4503 1 11 . 1 1 171 171 LEU H H 171 9.570 9.570 8.652 0.918 25887 4504 1 11 . 1 1 172 172 CYS N N 172 113.842 113.842 114.057 -0.215 25887 4505 1 11 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.560 0.054 25887 4506 1 11 . 1 1 172 172 CYS C C 172 174.424 174.424 175.177 -0.753 25887 4507 1 11 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.858 -0.048 25887 4508 1 11 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.723 19.848 25887 4509 1 11 . 1 1 172 172 CYS H H 172 8.221 8.221 7.986 0.235 25887 4510 1 11 . 1 1 173 173 ASN N N 173 121.019 121.019 118.088 2.931 25887 4511 1 11 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.884 -0.127 25887 4512 1 11 . 1 1 173 173 ASN C C 173 174.239 174.239 175.577 -1.338 25887 4513 1 11 . 1 1 173 173 ASN CA C 173 51.765 51.765 54.225 -2.460 25887 4514 1 11 . 1 1 173 173 ASN CB C 173 35.401 35.401 39.926 -4.525 25887 4515 1 11 . 1 1 173 173 ASN H H 173 8.458 8.458 8.546 -0.088 25887 4516 1 11 . 1 1 174 174 HIS N N 174 115.973 115.973 117.639 -1.666 25887 4517 1 11 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.729 -0.417 25887 4518 1 11 . 1 1 174 174 HIS C C 174 173.213 173.213 173.628 -0.415 25887 4519 1 11 . 1 1 174 174 HIS CA C 174 53.844 53.844 54.688 -0.844 25887 4520 1 11 . 1 1 174 174 HIS CB C 174 29.110 29.110 33.585 -4.475 25887 4521 1 11 . 1 1 174 174 HIS H H 174 7.170 7.170 7.849 -0.679 25887 4522 1 12 . 1 1 101 101 ILE N N 101 123.543 123.543 116.763 6.780 25887 4523 1 12 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.858 -0.250 25887 4524 1 12 . 1 1 101 101 ILE C C 101 172.659 172.659 174.161 -1.502 25887 4525 1 12 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.298 0.355 25887 4526 1 12 . 1 1 101 101 ILE CB C 101 41.301 41.301 40.364 0.937 25887 4527 1 12 . 1 1 101 101 ILE H H 101 8.681 8.681 7.539 1.142 25887 4528 1 12 . 1 1 102 102 TRP N N 102 123.817 123.817 120.537 3.280 25887 4529 1 12 . 1 1 102 102 TRP HA H 102 5.098 5.098 4.871 0.227 25887 4530 1 12 . 1 1 102 102 TRP C C 102 175.757 175.757 175.694 0.063 25887 4531 1 12 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.479 -0.700 25887 4532 1 12 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.866 0.340 25887 4533 1 12 . 1 1 102 102 TRP H H 102 8.008 8.008 8.544 -0.536 25887 4534 1 12 . 1 1 103 103 CYS N N 103 116.424 116.424 120.094 -3.670 25887 4535 1 12 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.807 0.288 25887 4536 1 12 . 1 1 103 103 CYS C C 103 175.070 175.070 173.045 2.025 25887 4537 1 12 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.497 -5.486 25887 4538 1 12 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.602 10.342 25887 4539 1 12 . 1 1 103 103 CYS H H 103 8.481 8.481 8.693 -0.212 25887 4540 1 12 . 1 1 104 104 HIS N N 104 123.159 123.159 118.944 4.215 25887 4541 1 12 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.011 -0.415 25887 4542 1 12 . 1 1 104 104 HIS C C 104 176.075 176.075 175.069 1.006 25887 4543 1 12 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.710 3.023 25887 4544 1 12 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.991 0.994 25887 4545 1 12 . 1 1 104 104 HIS H H 104 9.364 9.364 8.639 0.726 25887 4546 1 12 . 1 1 105 105 GLN N N 105 123.570 123.570 123.090 0.480 25887 4547 1 12 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.871 0.107 25887 4548 1 12 . 1 1 105 105 GLN C C 105 173.623 173.623 174.816 -1.193 25887 4549 1 12 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.008 -0.639 25887 4550 1 12 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.495 1.287 25887 4551 1 12 . 1 1 105 105 GLN H H 105 8.108 8.108 8.048 0.060 25887 4552 1 12 . 1 1 106 106 CYS N N 106 118.604 118.604 120.182 -1.578 25887 4553 1 12 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.448 0.503 25887 4554 1 12 . 1 1 106 106 CYS C C 106 171.120 171.120 175.732 -4.612 25887 4555 1 12 . 1 1 106 106 CYS CA C 106 53.907 53.907 59.313 -5.406 25887 4556 1 12 . 1 1 106 106 CYS CB C 106 40.639 40.639 28.392 12.247 25887 4557 1 12 . 1 1 106 106 CYS H H 106 8.458 8.458 8.298 0.160 25887 4558 1 12 . 1 1 107 107 THR N N 107 113.541 113.541 122.121 -8.580 25887 4559 1 12 . 1 1 107 107 THR HA H 107 5.500 5.500 4.383 1.117 25887 4560 1 12 . 1 1 107 107 THR C C 107 173.592 173.592 174.658 -1.066 25887 4561 1 12 . 1 1 107 107 THR CA C 107 60.161 60.161 62.250 -2.089 25887 4562 1 12 . 1 1 107 107 THR CB C 107 71.879 71.879 68.861 3.018 25887 4563 1 12 . 1 1 107 107 THR H H 107 8.400 8.400 8.616 -0.216 25887 4564 1 12 . 1 1 108 108 GLY N N 108 110.549 110.549 110.485 0.064 25887 4565 1 12 . 1 1 108 108 GLY C C 108 171.694 171.694 172.218 -0.524 25887 4566 1 12 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.687 0.761 25887 4567 1 12 . 1 1 108 108 GLY H H 108 8.817 8.817 7.495 1.322 25887 4568 1 12 . 1 1 109 109 PHE N N 109 120.830 120.830 116.466 4.364 25887 4569 1 12 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.570 0.554 25887 4570 1 12 . 1 1 109 109 PHE C C 109 177.225 177.225 176.843 0.382 25887 4571 1 12 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.017 1.421 25887 4572 1 12 . 1 1 109 109 PHE CB C 109 38.408 38.408 41.712 -3.304 25887 4573 1 12 . 1 1 109 109 PHE H H 109 8.924 8.924 7.690 1.234 25887 4574 1 12 . 1 1 110 110 GLY N N 110 113.069 113.069 108.787 4.282 25887 4575 1 12 . 1 1 110 110 GLY C C 110 172.546 172.546 175.246 -2.700 25887 4576 1 12 . 1 1 110 110 GLY CA C 110 45.708 45.708 46.193 -0.485 25887 4577 1 12 . 1 1 110 110 GLY H H 110 9.442 9.442 8.737 0.705 25887 4578 1 12 . 1 1 111 111 GLY N N 111 106.335 106.335 105.020 1.315 25887 4579 1 12 . 1 1 111 111 GLY C C 111 171.664 171.664 175.398 -3.734 25887 4580 1 12 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.487 -0.231 25887 4581 1 12 . 1 1 111 111 GLY H H 111 7.095 7.095 8.317 -1.222 25887 4582 1 12 . 1 1 112 112 CYS N N 112 111.804 111.804 120.130 -8.326 25887 4583 1 12 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.219 0.537 25887 4584 1 12 . 1 1 112 112 CYS C C 112 171.027 171.027 174.100 -3.073 25887 4585 1 12 . 1 1 112 112 CYS CA C 112 56.123 56.123 59.594 -3.471 25887 4586 1 12 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.250 14.540 25887 4587 1 12 . 1 1 112 112 CYS H H 112 8.477 8.477 7.881 0.596 25887 4588 1 12 . 1 1 113 113 SER N N 113 116.083 116.083 120.697 -4.614 25887 4589 1 12 . 1 1 113 113 SER HA H 113 4.603 4.603 4.288 0.315 25887 4590 1 12 . 1 1 113 113 SER C C 113 174.536 174.536 172.848 1.688 25887 4591 1 12 . 1 1 113 113 SER CA C 113 56.493 56.493 57.370 -0.877 25887 4592 1 12 . 1 1 113 113 SER CB C 113 65.160 65.160 65.327 -0.167 25887 4593 1 12 . 1 1 113 113 SER H H 113 8.693 8.693 8.396 0.297 25887 4594 1 12 . 1 1 114 114 HIS N N 114 126.668 126.668 121.702 4.966 25887 4595 1 12 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.643 -0.075 25887 4596 1 12 . 1 1 114 114 HIS C C 114 172.515 172.515 174.260 -1.745 25887 4597 1 12 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.832 0.055 25887 4598 1 12 . 1 1 114 114 HIS CB C 114 27.276 27.276 31.880 -4.604 25887 4599 1 12 . 1 1 114 114 HIS H H 114 11.587 11.587 8.011 3.576 25887 4600 1 12 . 1 1 115 115 GLY N N 115 119.128 119.128 113.412 5.716 25887 4601 1 12 . 1 1 115 115 GLY C C 115 173.018 173.018 173.920 -0.902 25887 4602 1 12 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.793 0.664 25887 4603 1 12 . 1 1 115 115 GLY H H 115 9.361 9.361 8.609 0.752 25887 4604 1 12 . 1 1 116 116 SER N N 116 118.656 118.656 121.789 -3.133 25887 4605 1 12 . 1 1 116 116 SER HA H 116 4.451 4.451 4.861 -0.410 25887 4606 1 12 . 1 1 116 116 SER C C 116 171.848 171.848 173.577 -1.729 25887 4607 1 12 . 1 1 116 116 SER CA C 116 57.256 57.256 57.050 0.206 25887 4608 1 12 . 1 1 116 116 SER CB C 116 64.697 64.697 66.702 -2.005 25887 4609 1 12 . 1 1 116 116 SER H H 116 8.151 8.151 8.990 -0.839 25887 4610 1 12 . 1 1 117 117 ARG N N 117 124.682 124.682 121.952 2.730 25887 4611 1 12 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.305 -0.351 25887 4612 1 12 . 1 1 117 117 ARG C C 117 176.671 176.671 175.155 1.516 25887 4613 1 12 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.872 0.883 25887 4614 1 12 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.390 0.728 25887 4615 1 12 . 1 1 117 117 ARG H H 117 7.629 7.629 8.089 -0.460 25887 4616 1 12 . 1 1 118 118 CYS N N 118 122.932 122.932 120.199 2.733 25887 4617 1 12 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.375 0.499 25887 4618 1 12 . 1 1 118 118 CYS C C 118 174.577 174.577 174.455 0.122 25887 4619 1 12 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.557 -5.561 25887 4620 1 12 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.640 10.658 25887 4621 1 12 . 1 1 118 118 CYS H H 118 7.852 7.852 7.705 0.147 25887 4622 1 12 . 1 1 119 119 LEU N N 119 120.027 120.027 122.376 -2.349 25887 4623 1 12 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.149 0.151 25887 4624 1 12 . 1 1 119 119 LEU C C 119 178.394 178.394 178.506 -0.112 25887 4625 1 12 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.942 0.274 25887 4626 1 12 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.405 -0.714 25887 4627 1 12 . 1 1 119 119 LEU H H 119 7.980 7.980 8.526 -0.546 25887 4628 1 12 . 1 1 120 120 ARG N N 120 120.159 120.159 123.034 -2.875 25887 4629 1 12 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.896 0.142 25887 4630 1 12 . 1 1 120 120 ARG C C 120 175.624 175.624 176.341 -0.717 25887 4631 1 12 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.989 -0.573 25887 4632 1 12 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.875 0.113 25887 4633 1 12 . 1 1 120 120 ARG H H 120 8.523 8.523 8.820 -0.297 25887 4634 1 12 . 1 1 121 121 ASP N N 121 115.199 115.199 114.481 0.718 25887 4635 1 12 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.362 0.168 25887 4636 1 12 . 1 1 121 121 ASP C C 121 175.593 175.593 175.822 -0.229 25887 4637 1 12 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.580 -1.156 25887 4638 1 12 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.102 -0.068 25887 4639 1 12 . 1 1 121 121 ASP H H 121 8.252 8.252 8.138 0.114 25887 4640 1 12 . 1 1 122 122 SER N N 122 114.383 114.383 112.904 1.479 25887 4641 1 12 . 1 1 122 122 SER HA H 122 4.124 4.124 4.280 -0.156 25887 4642 1 12 . 1 1 122 122 SER C C 122 173.264 173.264 174.261 -0.997 25887 4643 1 12 . 1 1 122 122 SER CA C 122 60.703 60.703 58.055 2.648 25887 4644 1 12 . 1 1 122 122 SER CB C 122 62.879 62.879 63.536 -0.657 25887 4645 1 12 . 1 1 122 122 SER H H 122 7.612 7.612 7.602 0.010 25887 4646 1 12 . 1 1 123 123 THR N N 123 111.852 111.852 117.736 -5.884 25887 4647 1 12 . 1 1 123 123 THR HA H 123 4.519 4.519 4.537 -0.018 25887 4648 1 12 . 1 1 123 123 THR C C 123 173.356 173.356 173.877 -0.521 25887 4649 1 12 . 1 1 123 123 THR CA C 123 61.888 61.888 61.029 0.859 25887 4650 1 12 . 1 1 123 123 THR CB C 123 70.830 70.830 69.324 1.506 25887 4651 1 12 . 1 1 123 123 THR H H 123 8.413 8.413 8.101 0.312 25887 4652 1 12 . 1 1 124 124 HIS N N 124 120.615 120.615 117.430 3.185 25887 4653 1 12 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.842 0.314 25887 4654 1 12 . 1 1 124 124 HIS C C 124 174.177 174.177 173.902 0.275 25887 4655 1 12 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.364 1.636 25887 4656 1 12 . 1 1 124 124 HIS CB C 124 34.744 34.744 34.018 0.726 25887 4657 1 12 . 1 1 124 124 HIS H H 124 8.630 8.630 7.493 1.137 25887 4658 1 12 . 1 1 125 125 CYS N N 125 115.755 115.755 118.076 -2.321 25887 4659 1 12 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.226 0.490 25887 4660 1 12 . 1 1 125 125 CYS C C 125 174.906 174.906 173.751 1.155 25887 4661 1 12 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.929 -5.757 25887 4662 1 12 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.031 7.453 25887 4663 1 12 . 1 1 125 125 CYS H H 125 9.102 9.102 8.648 0.454 25887 4664 1 12 . 1 1 126 126 VAL N N 126 121.353 121.353 121.292 0.061 25887 4665 1 12 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.455 0.744 25887 4666 1 12 . 1 1 126 126 VAL C C 126 176.004 176.004 174.571 1.433 25887 4667 1 12 . 1 1 126 126 VAL CA C 126 60.555 60.555 61.642 -1.087 25887 4668 1 12 . 1 1 126 126 VAL CB C 126 35.605 35.605 34.811 0.794 25887 4669 1 12 . 1 1 126 126 VAL H H 126 9.077 9.077 9.126 -0.049 25887 4670 1 12 . 1 1 127 127 THR N N 127 125.497 125.497 124.227 1.270 25887 4671 1 12 . 1 1 127 127 THR HA H 127 5.192 5.192 4.715 0.477 25887 4672 1 12 . 1 1 127 127 THR C C 127 173.510 173.510 173.322 0.188 25887 4673 1 12 . 1 1 127 127 THR CA C 127 61.909 61.909 61.757 0.152 25887 4674 1 12 . 1 1 127 127 THR CB C 127 71.018 71.018 69.883 1.135 25887 4675 1 12 . 1 1 127 127 THR H H 127 9.031 9.031 8.787 0.244 25887 4676 1 12 . 1 1 128 128 THR N N 128 121.196 121.196 118.452 2.744 25887 4677 1 12 . 1 1 128 128 THR HA H 128 5.500 5.500 5.113 0.387 25887 4678 1 12 . 1 1 128 128 THR C C 128 172.228 172.228 172.936 -0.708 25887 4679 1 12 . 1 1 128 128 THR CA C 128 59.004 59.004 59.357 -0.353 25887 4680 1 12 . 1 1 128 128 THR CB C 128 70.306 70.306 71.399 -1.093 25887 4681 1 12 . 1 1 128 128 THR H H 128 9.625 9.625 8.405 1.220 25887 4682 1 12 . 1 1 129 129 ALA N N 129 124.169 124.169 126.642 -2.473 25887 4683 1 12 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.223 0.277 25887 4684 1 12 . 1 1 129 129 ALA C C 129 176.424 176.424 175.197 1.227 25887 4685 1 12 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.989 -0.494 25887 4686 1 12 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.801 -0.453 25887 4687 1 12 . 1 1 129 129 ALA H H 129 8.539 8.539 8.689 -0.150 25887 4688 1 12 . 1 1 130 130 THR N N 130 116.687 116.687 119.113 -2.426 25887 4689 1 12 . 1 1 130 130 THR HA H 130 4.890 4.890 4.678 0.212 25887 4690 1 12 . 1 1 130 130 THR C C 130 172.854 172.854 173.784 -0.930 25887 4691 1 12 . 1 1 130 130 THR CA C 130 60.678 60.678 59.255 1.423 25887 4692 1 12 . 1 1 130 130 THR CB C 130 70.352 70.352 70.992 -0.640 25887 4693 1 12 . 1 1 130 130 THR H H 130 8.636 8.636 8.915 -0.279 25887 4694 1 12 . 1 1 131 131 ARG N N 131 124.260 124.260 127.498 -3.238 25887 4695 1 12 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.443 0.207 25887 4696 1 12 . 1 1 131 131 ARG C C 131 175.603 175.603 175.069 0.534 25887 4697 1 12 . 1 1 131 131 ARG CA C 131 55.458 55.458 56.938 -1.480 25887 4698 1 12 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.678 -0.923 25887 4699 1 12 . 1 1 131 131 ARG H H 131 8.540 8.540 7.743 0.797 25887 4700 1 12 . 1 1 132 132 VAL N N 132 121.349 121.349 122.109 -0.760 25887 4701 1 12 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.394 -0.162 25887 4702 1 12 . 1 1 132 132 VAL C C 132 175.727 175.727 176.757 -1.030 25887 4703 1 12 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.947 -0.112 25887 4704 1 12 . 1 1 132 132 VAL CB C 132 32.636 32.636 30.724 1.912 25887 4705 1 12 . 1 1 132 132 VAL H H 132 8.430 8.430 8.546 -0.116 25887 4706 1 12 . 1 1 133 133 LEU N N 133 124.364 124.364 125.638 -1.274 25887 4707 1 12 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.224 0.228 25887 4708 1 12 . 1 1 133 133 LEU C C 133 176.753 176.753 177.330 -0.577 25887 4709 1 12 . 1 1 133 133 LEU CA C 133 54.748 54.748 57.504 -2.756 25887 4710 1 12 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.686 0.187 25887 4711 1 12 . 1 1 133 133 LEU H H 133 8.246 8.246 8.527 -0.281 25887 4712 1 12 . 1 1 134 134 SER N N 134 114.791 114.791 114.748 0.043 25887 4713 1 12 . 1 1 134 134 SER HA H 134 4.490 4.490 4.199 0.291 25887 4714 1 12 . 1 1 134 134 SER C C 134 173.900 173.900 174.291 -0.391 25887 4715 1 12 . 1 1 134 134 SER CA C 134 57.970 57.970 59.389 -1.419 25887 4716 1 12 . 1 1 134 134 SER CB C 134 63.375 63.375 63.007 0.368 25887 4717 1 12 . 1 1 134 134 SER H H 134 8.078 8.078 7.815 0.263 25887 4718 1 12 . 1 1 135 135 ASN N N 135 119.634 119.634 115.688 3.946 25887 4719 1 12 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.450 0.327 25887 4720 1 12 . 1 1 135 135 ASN C C 135 175.337 175.337 175.718 -0.381 25887 4721 1 12 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.302 -1.232 25887 4722 1 12 . 1 1 135 135 ASN CB C 135 38.346 38.346 37.710 0.636 25887 4723 1 12 . 1 1 135 135 ASN H H 135 8.287 8.287 8.018 0.269 25887 4724 1 12 . 1 1 136 136 THR N N 136 112.097 112.097 111.635 0.462 25887 4725 1 12 . 1 1 136 136 THR HA H 136 4.311 4.311 3.966 0.345 25887 4726 1 12 . 1 1 136 136 THR C C 136 174.280 174.280 174.222 0.058 25887 4727 1 12 . 1 1 136 136 THR CA C 136 62.131 62.131 64.064 -1.933 25887 4728 1 12 . 1 1 136 136 THR CB C 136 69.106 69.106 68.708 0.398 25887 4729 1 12 . 1 1 136 136 THR H H 136 8.085 8.085 8.085 0.000 25887 4730 1 12 . 1 1 137 137 GLU N N 137 120.207 120.207 119.378 0.829 25887 4731 1 12 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.398 -0.034 25887 4732 1 12 . 1 1 137 137 GLU C C 137 175.296 175.296 175.003 0.293 25887 4733 1 12 . 1 1 137 137 GLU CA C 137 55.754 55.754 54.988 0.766 25887 4734 1 12 . 1 1 137 137 GLU CB C 137 29.189 29.189 30.832 -1.643 25887 4735 1 12 . 1 1 137 137 GLU H H 137 8.035 8.035 7.513 0.522 25887 4736 1 12 . 1 1 138 138 ASP N N 138 119.742 119.742 119.782 -0.040 25887 4737 1 12 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.601 0.004 25887 4738 1 12 . 1 1 138 138 ASP C C 138 174.978 174.978 176.857 -1.879 25887 4739 1 12 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.697 -0.817 25887 4740 1 12 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.425 -1.190 25887 4741 1 12 . 1 1 138 138 ASP H H 138 8.097 8.097 8.490 -0.393 25887 4742 1 12 . 1 1 139 139 LEU N N 139 121.008 121.008 121.722 -0.714 25887 4743 1 12 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.531 0.246 25887 4744 1 12 . 1 1 139 139 LEU CA C 139 52.011 52.011 53.197 -1.186 25887 4745 1 12 . 1 1 139 139 LEU CB C 139 42.693 42.693 42.149 0.544 25887 4746 1 12 . 1 1 139 139 LEU H H 139 8.021 8.021 7.750 0.271 25887 4747 1 12 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.409 0.225 25887 4748 1 12 . 1 1 140 140 PRO C C 140 175.419 175.419 175.899 -0.480 25887 4749 1 12 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.251 -0.188 25887 4750 1 12 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.828 -0.938 25887 4751 1 12 . 1 1 141 141 LEU N N 141 123.715 123.715 121.220 2.495 25887 4752 1 12 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.673 -0.497 25887 4753 1 12 . 1 1 141 141 LEU C C 141 175.870 175.870 175.270 0.600 25887 4754 1 12 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.653 0.537 25887 4755 1 12 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.393 -1.715 25887 4756 1 12 . 1 1 141 141 LEU H H 141 8.569 8.569 8.375 0.194 25887 4757 1 12 . 1 1 142 142 VAL N N 142 131.573 131.573 126.558 5.015 25887 4758 1 12 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.815 0.335 25887 4759 1 12 . 1 1 142 142 VAL C C 142 174.198 174.198 175.321 -1.123 25887 4760 1 12 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.333 0.250 25887 4761 1 12 . 1 1 142 142 VAL CB C 142 33.230 33.230 32.817 0.413 25887 4762 1 12 . 1 1 142 142 VAL H H 142 9.005 9.005 8.234 0.771 25887 4763 1 12 . 1 1 143 143 THR N N 143 121.430 121.430 124.442 -3.012 25887 4764 1 12 . 1 1 143 143 THR HA H 143 4.967 4.967 4.800 0.167 25887 4765 1 12 . 1 1 143 143 THR C C 143 172.546 172.546 173.524 -0.978 25887 4766 1 12 . 1 1 143 143 THR CA C 143 61.343 61.343 61.670 -0.327 25887 4767 1 12 . 1 1 143 143 THR CB C 143 69.917 69.917 70.963 -1.046 25887 4768 1 12 . 1 1 143 143 THR H H 143 8.744 8.744 8.646 0.098 25887 4769 1 12 . 1 1 144 144 LYS N N 144 126.310 126.310 128.528 -2.218 25887 4770 1 12 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.502 0.087 25887 4771 1 12 . 1 1 144 144 LYS C C 144 175.839 175.839 175.997 -0.158 25887 4772 1 12 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.200 -0.533 25887 4773 1 12 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.679 -0.102 25887 4774 1 12 . 1 1 144 144 LYS H H 144 9.397 9.397 8.257 1.140 25887 4775 1 12 . 1 1 145 145 MET N N 145 117.942 117.942 118.407 -0.465 25887 4776 1 12 . 1 1 145 145 MET HA H 145 5.058 5.058 4.915 0.143 25887 4777 1 12 . 1 1 145 145 MET C C 145 174.454 174.454 173.317 1.137 25887 4778 1 12 . 1 1 145 145 MET CA C 145 54.843 54.843 54.026 0.817 25887 4779 1 12 . 1 1 145 145 MET CB C 145 35.827 35.827 34.923 0.904 25887 4780 1 12 . 1 1 145 145 MET H H 145 8.729 8.729 9.051 -0.322 25887 4781 1 12 . 1 1 146 146 CYS N N 146 119.031 119.031 118.252 0.779 25887 4782 1 12 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.446 0.062 25887 4783 1 12 . 1 1 146 146 CYS C C 146 175.029 175.029 173.839 1.190 25887 4784 1 12 . 1 1 146 146 CYS CA C 146 56.669 56.669 58.057 -1.388 25887 4785 1 12 . 1 1 146 146 CYS CB C 146 46.298 46.298 29.470 16.828 25887 4786 1 12 . 1 1 146 146 CYS H H 146 8.642 8.642 8.242 0.400 25887 4787 1 12 . 1 1 147 147 HIS N N 147 120.858 120.858 119.511 1.347 25887 4788 1 12 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.769 -0.126 25887 4789 1 12 . 1 1 147 147 HIS C C 147 173.223 173.223 174.769 -1.546 25887 4790 1 12 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.989 1.612 25887 4791 1 12 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.670 0.150 25887 4792 1 12 . 1 1 147 147 HIS H H 147 9.423 9.423 8.911 0.512 25887 4793 1 12 . 1 1 148 148 ILE N N 148 125.370 125.370 122.379 2.991 25887 4794 1 12 . 1 1 148 148 ILE HA H 148 4.370 4.370 3.967 0.403 25887 4795 1 12 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.306 1.232 25887 4796 1 12 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.322 -0.226 25887 4797 1 12 . 1 1 148 148 ILE H H 148 8.374 8.374 8.019 0.355 25887 4798 1 12 . 1 1 149 149 GLY N N 149 118.093 118.093 112.047 6.046 25887 4799 1 12 . 1 1 149 149 GLY C C 149 170.853 170.853 172.879 -2.026 25887 4800 1 12 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.427 -0.886 25887 4801 1 12 . 1 1 149 149 GLY H H 149 8.367 8.367 7.955 0.412 25887 4802 1 12 . 1 1 150 150 CYS N N 150 118.529 118.529 122.447 -3.918 25887 4803 1 12 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.783 0.035 25887 4804 1 12 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.134 -5.869 25887 4805 1 12 . 1 1 150 150 CYS CB C 150 38.752 38.752 25.850 12.902 25887 4806 1 12 . 1 1 150 150 CYS H H 150 8.187 8.187 8.477 -0.290 25887 4807 1 12 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.532 -0.188 25887 4808 1 12 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.293 0.135 25887 4809 1 12 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.390 -0.718 25887 4810 1 12 . 1 1 152 152 ASP N N 152 117.148 117.148 121.095 -3.947 25887 4811 1 12 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.704 -0.064 25887 4812 1 12 . 1 1 152 152 ASP C C 152 175.624 175.624 175.616 0.008 25887 4813 1 12 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.041 -2.631 25887 4814 1 12 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.742 0.949 25887 4815 1 12 . 1 1 152 152 ASP H H 152 7.668 7.668 8.383 -0.715 25887 4816 1 12 . 1 1 153 153 ILE N N 153 119.719 119.719 125.012 -5.293 25887 4817 1 12 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.489 -0.576 25887 4818 1 12 . 1 1 153 153 ILE CA C 153 64.996 64.996 57.656 7.340 25887 4819 1 12 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.177 -2.183 25887 4820 1 12 . 1 1 153 153 ILE H H 153 8.327 8.327 8.313 0.014 25887 4821 1 12 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.790 -0.426 25887 4822 1 12 . 1 1 154 154 PRO C C 154 178.333 178.333 178.625 -0.292 25887 4823 1 12 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.418 0.585 25887 4824 1 12 . 1 1 154 154 PRO CB C 154 30.777 30.777 32.041 -1.264 25887 4825 1 12 . 1 1 155 155 SER N N 155 112.667 112.667 114.629 -1.962 25887 4826 1 12 . 1 1 155 155 SER HA H 155 4.303 4.303 4.335 -0.032 25887 4827 1 12 . 1 1 155 155 SER C C 155 175.450 175.450 175.463 -0.013 25887 4828 1 12 . 1 1 155 155 SER CA C 155 60.312 60.312 60.547 -0.235 25887 4829 1 12 . 1 1 155 155 SER CB C 155 62.816 62.816 63.083 -0.266 25887 4830 1 12 . 1 1 155 155 SER H H 155 7.883 7.883 8.398 -0.515 25887 4831 1 12 . 1 1 156 156 LEU N N 156 120.903 120.903 119.097 1.806 25887 4832 1 12 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.498 -0.193 25887 4833 1 12 . 1 1 156 156 LEU C C 156 177.974 177.974 175.551 2.423 25887 4834 1 12 . 1 1 156 156 LEU CA C 156 55.516 55.516 54.509 1.007 25887 4835 1 12 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.855 -0.775 25887 4836 1 12 . 1 1 156 156 LEU H H 156 7.770 7.770 7.347 0.423 25887 4837 1 12 . 1 1 157 157 GLY N N 157 105.004 105.004 105.672 -0.668 25887 4838 1 12 . 1 1 157 157 GLY C C 157 174.321 174.321 173.575 0.746 25887 4839 1 12 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.323 0.864 25887 4840 1 12 . 1 1 157 157 GLY H H 157 7.666 7.666 7.258 0.408 25887 4841 1 12 . 1 1 158 158 LEU N N 158 119.534 119.534 120.056 -0.522 25887 4842 1 12 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.869 -0.337 25887 4843 1 12 . 1 1 158 158 LEU C C 158 176.712 176.712 176.452 0.260 25887 4844 1 12 . 1 1 158 158 LEU CA C 158 53.760 53.760 54.582 -0.822 25887 4845 1 12 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.342 0.419 25887 4846 1 12 . 1 1 158 158 LEU H H 158 8.203 8.203 8.739 -0.536 25887 4847 1 12 . 1 1 159 159 GLY N N 159 108.700 108.700 108.942 -0.242 25887 4848 1 12 . 1 1 159 159 GLY CA C 159 44.416 44.416 44.288 0.128 25887 4849 1 12 . 1 1 159 159 GLY H H 159 8.055 8.055 8.048 0.007 25887 4850 1 12 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.386 -0.010 25887 4851 1 12 . 1 1 160 160 PRO C C 160 177.112 177.112 176.636 0.476 25887 4852 1 12 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.746 -0.435 25887 4853 1 12 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.963 -0.401 25887 4854 1 12 . 1 1 161 161 TYR N N 161 119.287 119.287 117.381 1.906 25887 4855 1 12 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.688 0.130 25887 4856 1 12 . 1 1 161 161 TYR CA C 161 56.419 56.419 56.952 -0.533 25887 4857 1 12 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.906 -0.945 25887 4858 1 12 . 1 1 161 161 TYR H H 161 8.130 8.130 8.028 0.102 25887 4859 1 12 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.783 -0.050 25887 4860 1 12 . 1 1 162 162 VAL CA C 162 60.346 60.346 60.380 -0.034 25887 4861 1 12 . 1 1 162 162 VAL CB C 162 38.408 38.408 35.007 3.401 25887 4862 1 12 . 1 1 163 163 SER N N 163 119.428 119.428 121.349 -1.921 25887 4863 1 12 . 1 1 163 163 SER HA H 163 4.788 4.788 4.848 -0.060 25887 4864 1 12 . 1 1 163 163 SER C C 163 173.141 173.141 172.998 0.143 25887 4865 1 12 . 1 1 163 163 SER CA C 163 56.672 56.672 56.690 -0.018 25887 4866 1 12 . 1 1 163 163 SER CB C 163 64.650 64.650 65.700 -1.050 25887 4867 1 12 . 1 1 163 163 SER H H 163 8.641 8.641 8.660 -0.019 25887 4868 1 12 . 1 1 164 164 ILE N N 164 123.448 123.448 121.208 2.240 25887 4869 1 12 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.951 -0.205 25887 4870 1 12 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.607 0.022 25887 4871 1 12 . 1 1 164 164 ILE CB C 164 41.311 41.311 41.831 -0.520 25887 4872 1 12 . 1 1 164 164 ILE H H 164 8.496 8.496 8.536 -0.040 25887 4873 1 12 . 1 1 165 165 ALA N N 165 129.783 129.783 130.646 -0.863 25887 4874 1 12 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.854 0.016 25887 4875 1 12 . 1 1 165 165 ALA C C 165 176.219 176.219 175.679 0.540 25887 4876 1 12 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.280 -0.500 25887 4877 1 12 . 1 1 165 165 ALA CB C 165 21.348 21.348 21.190 0.158 25887 4878 1 12 . 1 1 165 165 ALA H H 165 8.941 8.941 8.908 0.033 25887 4879 1 12 . 1 1 166 166 CYS N N 166 119.842 119.842 120.628 -0.786 25887 4880 1 12 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.395 0.157 25887 4881 1 12 . 1 1 166 166 CYS C C 166 172.289 172.289 174.713 -2.424 25887 4882 1 12 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.357 -4.238 25887 4883 1 12 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.834 18.992 25887 4884 1 12 . 1 1 166 166 CYS H H 166 9.049 9.049 8.531 0.518 25887 4885 1 12 . 1 1 167 167 CYS N N 167 118.569 118.569 118.393 0.176 25887 4886 1 12 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.785 0.451 25887 4887 1 12 . 1 1 167 167 CYS C C 167 173.562 173.562 172.892 0.670 25887 4888 1 12 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.311 -3.170 25887 4889 1 12 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.162 15.301 25887 4890 1 12 . 1 1 167 167 CYS H H 167 9.297 9.297 8.834 0.463 25887 4891 1 12 . 1 1 168 168 GLN N N 168 118.916 118.916 119.291 -0.375 25887 4892 1 12 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.258 0.572 25887 4893 1 12 . 1 1 168 168 GLN C C 168 174.362 174.362 174.662 -0.300 25887 4894 1 12 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.368 0.617 25887 4895 1 12 . 1 1 168 168 GLN CB C 168 31.688 31.688 26.750 4.938 25887 4896 1 12 . 1 1 168 168 GLN H H 168 9.105 9.105 8.487 0.618 25887 4897 1 12 . 1 1 169 169 THR N N 169 110.926 110.926 112.523 -1.597 25887 4898 1 12 . 1 1 169 169 THR HA H 169 4.813 4.813 4.569 0.244 25887 4899 1 12 . 1 1 169 169 THR C C 169 173.859 173.859 174.264 -0.405 25887 4900 1 12 . 1 1 169 169 THR CA C 169 60.038 60.038 60.289 -0.251 25887 4901 1 12 . 1 1 169 169 THR CB C 169 71.377 71.377 71.275 0.102 25887 4902 1 12 . 1 1 169 169 THR H H 169 7.540 7.540 7.444 0.096 25887 4903 1 12 . 1 1 170 170 SER N N 170 117.386 117.386 119.554 -2.168 25887 4904 1 12 . 1 1 170 170 SER HA H 170 4.850 4.850 4.311 0.539 25887 4905 1 12 . 1 1 170 170 SER C C 170 175.757 175.757 175.563 0.194 25887 4906 1 12 . 1 1 170 170 SER CA C 170 60.987 60.987 59.219 1.768 25887 4907 1 12 . 1 1 170 170 SER CB C 170 63.104 63.104 63.487 -0.383 25887 4908 1 12 . 1 1 170 170 SER H H 170 8.814 8.814 8.684 0.130 25887 4909 1 12 . 1 1 171 171 LEU N N 171 116.724 116.724 118.832 -2.108 25887 4910 1 12 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.871 -0.211 25887 4911 1 12 . 1 1 171 171 LEU C C 171 176.055 176.055 177.146 -1.091 25887 4912 1 12 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.646 0.379 25887 4913 1 12 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.538 -2.250 25887 4914 1 12 . 1 1 171 171 LEU H H 171 9.570 9.570 8.707 0.863 25887 4915 1 12 . 1 1 172 172 CYS N N 172 113.842 113.842 114.415 -0.573 25887 4916 1 12 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.514 0.100 25887 4917 1 12 . 1 1 172 172 CYS C C 172 174.424 174.424 174.848 -0.424 25887 4918 1 12 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.855 -0.045 25887 4919 1 12 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.797 19.774 25887 4920 1 12 . 1 1 172 172 CYS H H 172 8.221 8.221 7.724 0.497 25887 4921 1 12 . 1 1 173 173 ASN N N 173 121.019 121.019 118.015 3.004 25887 4922 1 12 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.824 -0.067 25887 4923 1 12 . 1 1 173 173 ASN C C 173 174.239 174.239 174.922 -0.683 25887 4924 1 12 . 1 1 173 173 ASN CA C 173 51.765 51.765 52.291 -0.526 25887 4925 1 12 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.698 -3.297 25887 4926 1 12 . 1 1 173 173 ASN H H 173 8.458 8.458 8.152 0.306 25887 4927 1 12 . 1 1 174 174 HIS N N 174 115.973 115.973 119.405 -3.432 25887 4928 1 12 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.585 -0.273 25887 4929 1 12 . 1 1 174 174 HIS C C 174 173.213 173.213 174.522 -1.309 25887 4930 1 12 . 1 1 174 174 HIS CA C 174 53.844 53.844 58.364 -4.520 25887 4931 1 12 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.314 -1.204 25887 4932 1 12 . 1 1 174 174 HIS H H 174 7.170 7.170 7.405 -0.235 25887 4933 1 13 . 1 1 101 101 ILE N N 101 123.543 123.543 115.393 8.150 25887 4934 1 13 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.839 -0.231 25887 4935 1 13 . 1 1 101 101 ILE C C 101 172.659 172.659 173.669 -1.010 25887 4936 1 13 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.883 0.771 25887 4937 1 13 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.332 -0.031 25887 4938 1 13 . 1 1 101 101 ILE H H 101 8.681 8.681 8.367 0.314 25887 4939 1 13 . 1 1 102 102 TRP N N 102 123.817 123.817 120.803 3.014 25887 4940 1 13 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.120 -0.022 25887 4941 1 13 . 1 1 102 102 TRP C C 102 175.757 175.757 175.953 -0.196 25887 4942 1 13 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.371 -0.592 25887 4943 1 13 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.043 0.163 25887 4944 1 13 . 1 1 102 102 TRP H H 102 8.008 8.008 8.458 -0.450 25887 4945 1 13 . 1 1 103 103 CYS N N 103 116.424 116.424 118.694 -2.270 25887 4946 1 13 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.714 0.381 25887 4947 1 13 . 1 1 103 103 CYS C C 103 175.070 175.070 173.633 1.437 25887 4948 1 13 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.975 -5.964 25887 4949 1 13 . 1 1 103 103 CYS CB C 103 41.944 41.944 32.479 9.465 25887 4950 1 13 . 1 1 103 103 CYS H H 103 8.481 8.481 8.913 -0.432 25887 4951 1 13 . 1 1 104 104 HIS N N 104 123.159 123.159 119.859 3.300 25887 4952 1 13 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.010 -0.414 25887 4953 1 13 . 1 1 104 104 HIS C C 104 176.075 176.075 175.534 0.541 25887 4954 1 13 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.093 3.640 25887 4955 1 13 . 1 1 104 104 HIS CB C 104 30.984 30.984 28.563 2.421 25887 4956 1 13 . 1 1 104 104 HIS H H 104 9.364 9.364 8.647 0.717 25887 4957 1 13 . 1 1 105 105 GLN N N 105 123.570 123.570 124.322 -0.752 25887 4958 1 13 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.447 0.531 25887 4959 1 13 . 1 1 105 105 GLN C C 105 173.623 173.623 174.772 -1.149 25887 4960 1 13 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.630 -1.261 25887 4961 1 13 . 1 1 105 105 GLN CB C 105 30.782 30.782 27.303 3.479 25887 4962 1 13 . 1 1 105 105 GLN H H 105 8.108 8.108 8.203 -0.095 25887 4963 1 13 . 1 1 106 106 CYS N N 106 118.604 118.604 123.156 -4.552 25887 4964 1 13 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.553 0.398 25887 4965 1 13 . 1 1 106 106 CYS C C 106 171.120 171.120 175.951 -4.831 25887 4966 1 13 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.884 -4.977 25887 4967 1 13 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.476 11.163 25887 4968 1 13 . 1 1 106 106 CYS H H 106 8.458 8.458 7.960 0.497 25887 4969 1 13 . 1 1 107 107 THR N N 107 113.541 113.541 119.475 -5.934 25887 4970 1 13 . 1 1 107 107 THR HA H 107 5.500 5.500 4.237 1.263 25887 4971 1 13 . 1 1 107 107 THR C C 107 173.592 173.592 174.644 -1.052 25887 4972 1 13 . 1 1 107 107 THR CA C 107 60.161 60.161 65.459 -5.298 25887 4973 1 13 . 1 1 107 107 THR CB C 107 71.879 71.879 69.535 2.344 25887 4974 1 13 . 1 1 107 107 THR H H 107 8.400 8.400 9.022 -0.622 25887 4975 1 13 . 1 1 108 108 GLY N N 108 110.549 110.549 107.458 3.091 25887 4976 1 13 . 1 1 108 108 GLY C C 108 171.694 171.694 172.507 -0.813 25887 4977 1 13 . 1 1 108 108 GLY CA C 108 45.448 45.448 45.137 0.311 25887 4978 1 13 . 1 1 108 108 GLY H H 108 8.817 8.817 8.095 0.722 25887 4979 1 13 . 1 1 109 109 PHE N N 109 120.830 120.830 121.342 -0.512 25887 4980 1 13 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.809 0.315 25887 4981 1 13 . 1 1 109 109 PHE C C 109 177.225 177.225 175.860 1.365 25887 4982 1 13 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.327 1.111 25887 4983 1 13 . 1 1 109 109 PHE CB C 109 38.408 38.408 40.572 -2.163 25887 4984 1 13 . 1 1 109 109 PHE H H 109 8.924 8.924 7.606 1.318 25887 4985 1 13 . 1 1 110 110 GLY N N 110 113.069 113.069 113.017 0.052 25887 4986 1 13 . 1 1 110 110 GLY C C 110 172.546 172.546 175.337 -2.791 25887 4987 1 13 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.755 -0.047 25887 4988 1 13 . 1 1 110 110 GLY H H 110 9.442 9.442 8.757 0.685 25887 4989 1 13 . 1 1 111 111 GLY N N 111 106.335 106.335 106.381 -0.046 25887 4990 1 13 . 1 1 111 111 GLY C C 111 171.664 171.664 175.560 -3.896 25887 4991 1 13 . 1 1 111 111 GLY CA C 111 44.256 44.256 45.252 -0.996 25887 4992 1 13 . 1 1 111 111 GLY H H 111 7.095 7.095 8.278 -1.183 25887 4993 1 13 . 1 1 112 112 CYS N N 112 111.804 111.804 116.538 -4.734 25887 4994 1 13 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.371 0.385 25887 4995 1 13 . 1 1 112 112 CYS C C 112 171.027 171.027 173.958 -2.931 25887 4996 1 13 . 1 1 112 112 CYS CA C 112 56.123 56.123 57.762 -1.639 25887 4997 1 13 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.032 13.758 25887 4998 1 13 . 1 1 112 112 CYS H H 112 8.477 8.477 7.940 0.537 25887 4999 1 13 . 1 1 113 113 SER N N 113 116.083 116.083 116.471 -0.388 25887 5000 1 13 . 1 1 113 113 SER HA H 113 4.603 4.603 4.393 0.210 25887 5001 1 13 . 1 1 113 113 SER C C 113 174.536 174.536 173.277 1.259 25887 5002 1 13 . 1 1 113 113 SER CA C 113 56.493 56.493 57.795 -1.302 25887 5003 1 13 . 1 1 113 113 SER CB C 113 65.160 65.160 65.138 0.023 25887 5004 1 13 . 1 1 113 113 SER H H 113 8.693 8.693 8.028 0.665 25887 5005 1 13 . 1 1 114 114 HIS N N 114 126.668 126.668 118.143 8.525 25887 5006 1 13 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.624 -0.056 25887 5007 1 13 . 1 1 114 114 HIS C C 114 172.515 172.515 174.633 -2.118 25887 5008 1 13 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.427 0.460 25887 5009 1 13 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.538 -5.262 25887 5010 1 13 . 1 1 114 114 HIS H H 114 11.587 11.587 8.572 3.015 25887 5011 1 13 . 1 1 115 115 GLY N N 115 119.128 119.128 112.782 6.346 25887 5012 1 13 . 1 1 115 115 GLY C C 115 173.018 173.018 174.280 -1.262 25887 5013 1 13 . 1 1 115 115 GLY CA C 115 46.457 46.457 46.111 0.346 25887 5014 1 13 . 1 1 115 115 GLY H H 115 9.361 9.361 8.712 0.649 25887 5015 1 13 . 1 1 116 116 SER N N 116 118.656 118.656 121.158 -2.502 25887 5016 1 13 . 1 1 116 116 SER HA H 116 4.451 4.451 4.928 -0.477 25887 5017 1 13 . 1 1 116 116 SER C C 116 171.848 171.848 173.982 -2.134 25887 5018 1 13 . 1 1 116 116 SER CA C 116 57.256 57.256 57.338 -0.082 25887 5019 1 13 . 1 1 116 116 SER CB C 116 64.697 64.697 67.034 -2.337 25887 5020 1 13 . 1 1 116 116 SER H H 116 8.151 8.151 9.018 -0.867 25887 5021 1 13 . 1 1 117 117 ARG N N 117 124.682 124.682 123.194 1.488 25887 5022 1 13 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.719 -0.765 25887 5023 1 13 . 1 1 117 117 ARG C C 117 176.671 176.671 176.343 0.328 25887 5024 1 13 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.185 0.570 25887 5025 1 13 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.966 0.151 25887 5026 1 13 . 1 1 117 117 ARG H H 117 7.629 7.629 8.441 -0.812 25887 5027 1 13 . 1 1 118 118 CYS N N 118 122.932 122.932 123.435 -0.503 25887 5028 1 13 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.271 0.603 25887 5029 1 13 . 1 1 118 118 CYS C C 118 174.577 174.577 174.316 0.261 25887 5030 1 13 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.666 -6.670 25887 5031 1 13 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.715 11.582 25887 5032 1 13 . 1 1 118 118 CYS H H 118 7.852 7.852 7.721 0.131 25887 5033 1 13 . 1 1 119 119 LEU N N 119 120.027 120.027 121.587 -1.560 25887 5034 1 13 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.168 0.133 25887 5035 1 13 . 1 1 119 119 LEU C C 119 178.394 178.394 178.703 -0.309 25887 5036 1 13 . 1 1 119 119 LEU CA C 119 55.216 55.216 55.314 -0.098 25887 5037 1 13 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.433 -0.742 25887 5038 1 13 . 1 1 119 119 LEU H H 119 7.980 7.980 8.501 -0.521 25887 5039 1 13 . 1 1 120 120 ARG N N 120 120.159 120.159 122.750 -2.591 25887 5040 1 13 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.926 0.112 25887 5041 1 13 . 1 1 120 120 ARG C C 120 175.624 175.624 176.889 -1.265 25887 5042 1 13 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.571 -0.155 25887 5043 1 13 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.958 0.030 25887 5044 1 13 . 1 1 120 120 ARG H H 120 8.523 8.523 8.509 0.014 25887 5045 1 13 . 1 1 121 121 ASP N N 121 115.199 115.199 116.716 -1.517 25887 5046 1 13 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.533 -0.003 25887 5047 1 13 . 1 1 121 121 ASP C C 121 175.593 175.593 175.654 -0.061 25887 5048 1 13 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.255 -0.831 25887 5049 1 13 . 1 1 121 121 ASP CB C 121 40.034 40.034 41.091 -1.057 25887 5050 1 13 . 1 1 121 121 ASP H H 121 8.252 8.252 8.138 0.114 25887 5051 1 13 . 1 1 122 122 SER N N 122 114.383 114.383 114.940 -0.557 25887 5052 1 13 . 1 1 122 122 SER HA H 122 4.124 4.124 4.279 -0.155 25887 5053 1 13 . 1 1 122 122 SER C C 122 173.264 173.264 174.036 -0.772 25887 5054 1 13 . 1 1 122 122 SER CA C 122 60.703 60.703 58.637 2.066 25887 5055 1 13 . 1 1 122 122 SER CB C 122 62.879 62.879 63.453 -0.574 25887 5056 1 13 . 1 1 122 122 SER H H 122 7.612 7.612 7.757 -0.145 25887 5057 1 13 . 1 1 123 123 THR N N 123 111.852 111.852 119.599 -7.747 25887 5058 1 13 . 1 1 123 123 THR HA H 123 4.519 4.519 4.468 0.051 25887 5059 1 13 . 1 1 123 123 THR C C 123 173.356 173.356 173.566 -0.210 25887 5060 1 13 . 1 1 123 123 THR CA C 123 61.888 61.888 61.331 0.557 25887 5061 1 13 . 1 1 123 123 THR CB C 123 70.830 70.830 69.391 1.438 25887 5062 1 13 . 1 1 123 123 THR H H 123 8.413 8.413 8.242 0.171 25887 5063 1 13 . 1 1 124 124 HIS N N 124 120.615 120.615 117.915 2.700 25887 5064 1 13 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.909 0.247 25887 5065 1 13 . 1 1 124 124 HIS C C 124 174.177 174.177 173.959 0.218 25887 5066 1 13 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.800 1.200 25887 5067 1 13 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.654 1.089 25887 5068 1 13 . 1 1 124 124 HIS H H 124 8.630 8.630 7.527 1.103 25887 5069 1 13 . 1 1 125 125 CYS N N 125 115.755 115.755 118.606 -2.851 25887 5070 1 13 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.267 0.449 25887 5071 1 13 . 1 1 125 125 CYS C C 125 174.906 174.906 173.491 1.415 25887 5072 1 13 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.974 -5.802 25887 5073 1 13 . 1 1 125 125 CYS CB C 125 36.484 36.484 28.552 7.933 25887 5074 1 13 . 1 1 125 125 CYS H H 125 9.102 9.102 8.579 0.523 25887 5075 1 13 . 1 1 126 126 VAL N N 126 121.353 121.353 119.398 1.955 25887 5076 1 13 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.961 0.238 25887 5077 1 13 . 1 1 126 126 VAL C C 126 176.004 176.004 175.198 0.806 25887 5078 1 13 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.090 0.465 25887 5079 1 13 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.628 -0.023 25887 5080 1 13 . 1 1 126 126 VAL H H 126 9.077 9.077 9.215 -0.138 25887 5081 1 13 . 1 1 127 127 THR N N 127 125.497 125.497 119.237 6.260 25887 5082 1 13 . 1 1 127 127 THR HA H 127 5.192 5.192 4.996 0.196 25887 5083 1 13 . 1 1 127 127 THR C C 127 173.510 173.510 173.391 0.119 25887 5084 1 13 . 1 1 127 127 THR CA C 127 61.909 61.909 61.383 0.526 25887 5085 1 13 . 1 1 127 127 THR CB C 127 71.018 71.018 71.725 -0.707 25887 5086 1 13 . 1 1 127 127 THR H H 127 9.031 9.031 8.330 0.701 25887 5087 1 13 . 1 1 128 128 THR N N 128 121.196 121.196 117.929 3.267 25887 5088 1 13 . 1 1 128 128 THR HA H 128 5.500 5.500 5.304 0.196 25887 5089 1 13 . 1 1 128 128 THR C C 128 172.228 172.228 172.544 -0.316 25887 5090 1 13 . 1 1 128 128 THR CA C 128 59.004 59.004 60.027 -1.023 25887 5091 1 13 . 1 1 128 128 THR CB C 128 70.306 70.306 69.867 0.439 25887 5092 1 13 . 1 1 128 128 THR H H 128 9.625 9.625 8.929 0.696 25887 5093 1 13 . 1 1 129 129 ALA N N 129 124.169 124.169 129.974 -5.805 25887 5094 1 13 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.155 0.345 25887 5095 1 13 . 1 1 129 129 ALA C C 129 176.424 176.424 176.434 -0.010 25887 5096 1 13 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.588 -0.093 25887 5097 1 13 . 1 1 129 129 ALA CB C 129 21.348 21.348 20.374 0.974 25887 5098 1 13 . 1 1 129 129 ALA H H 129 8.539 8.539 8.268 0.271 25887 5099 1 13 . 1 1 130 130 THR N N 130 116.687 116.687 115.933 0.754 25887 5100 1 13 . 1 1 130 130 THR HA H 130 4.890 4.890 4.845 0.045 25887 5101 1 13 . 1 1 130 130 THR C C 130 172.854 172.854 173.152 -0.298 25887 5102 1 13 . 1 1 130 130 THR CA C 130 60.678 60.678 59.734 0.944 25887 5103 1 13 . 1 1 130 130 THR CB C 130 70.352 70.352 72.033 -1.681 25887 5104 1 13 . 1 1 130 130 THR H H 130 8.636 8.636 8.791 -0.155 25887 5105 1 13 . 1 1 131 131 ARG N N 131 124.260 124.260 119.465 4.795 25887 5106 1 13 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.823 -0.173 25887 5107 1 13 . 1 1 131 131 ARG C C 131 175.603 175.603 173.971 1.632 25887 5108 1 13 . 1 1 131 131 ARG CA C 131 55.458 55.458 54.823 0.635 25887 5109 1 13 . 1 1 131 131 ARG CB C 131 30.755 30.755 32.358 -1.603 25887 5110 1 13 . 1 1 131 131 ARG H H 131 8.540 8.540 8.411 0.130 25887 5111 1 13 . 1 1 132 132 VAL N N 132 121.349 121.349 119.388 1.961 25887 5112 1 13 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.273 -0.041 25887 5113 1 13 . 1 1 132 132 VAL C C 132 175.727 175.727 174.994 0.733 25887 5114 1 13 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.861 -0.026 25887 5115 1 13 . 1 1 132 132 VAL CB C 132 32.636 32.636 34.145 -1.508 25887 5116 1 13 . 1 1 132 132 VAL H H 132 8.430 8.430 8.434 -0.004 25887 5117 1 13 . 1 1 133 133 LEU N N 133 124.364 124.364 127.938 -3.574 25887 5118 1 13 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.736 -0.284 25887 5119 1 13 . 1 1 133 133 LEU C C 133 176.753 176.753 177.455 -0.702 25887 5120 1 13 . 1 1 133 133 LEU CA C 133 54.748 54.748 55.201 -0.453 25887 5121 1 13 . 1 1 133 133 LEU CB C 133 41.873 41.873 43.394 -1.521 25887 5122 1 13 . 1 1 133 133 LEU H H 133 8.246 8.246 8.481 -0.235 25887 5123 1 13 . 1 1 134 134 SER N N 134 114.791 114.791 117.550 -2.759 25887 5124 1 13 . 1 1 134 134 SER HA H 134 4.490 4.490 4.172 0.318 25887 5125 1 13 . 1 1 134 134 SER C C 134 173.900 173.900 174.246 -0.346 25887 5126 1 13 . 1 1 134 134 SER CA C 134 57.970 57.970 59.376 -1.406 25887 5127 1 13 . 1 1 134 134 SER CB C 134 63.375 63.375 62.599 0.776 25887 5128 1 13 . 1 1 134 134 SER H H 134 8.078 8.078 8.666 -0.588 25887 5129 1 13 . 1 1 135 135 ASN N N 135 119.634 119.634 119.813 -0.179 25887 5130 1 13 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.737 0.040 25887 5131 1 13 . 1 1 135 135 ASN C C 135 175.337 175.337 174.712 0.625 25887 5132 1 13 . 1 1 135 135 ASN CA C 135 53.070 53.070 53.392 -0.323 25887 5133 1 13 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.750 -0.404 25887 5134 1 13 . 1 1 135 135 ASN H H 135 8.287 8.287 8.266 0.021 25887 5135 1 13 . 1 1 136 136 THR N N 136 112.097 112.097 114.381 -2.284 25887 5136 1 13 . 1 1 136 136 THR HA H 136 4.311 4.311 4.023 0.288 25887 5137 1 13 . 1 1 136 136 THR C C 136 174.280 174.280 173.601 0.679 25887 5138 1 13 . 1 1 136 136 THR CA C 136 62.131 62.131 63.770 -1.639 25887 5139 1 13 . 1 1 136 136 THR CB C 136 69.106 69.106 68.324 0.782 25887 5140 1 13 . 1 1 136 136 THR H H 136 8.085 8.085 7.768 0.317 25887 5141 1 13 . 1 1 137 137 GLU N N 137 120.207 120.207 121.105 -0.898 25887 5142 1 13 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.576 -0.212 25887 5143 1 13 . 1 1 137 137 GLU C C 137 175.296 175.296 175.090 0.206 25887 5144 1 13 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.674 0.080 25887 5145 1 13 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.113 -2.924 25887 5146 1 13 . 1 1 137 137 GLU H H 137 8.035 8.035 8.051 -0.016 25887 5147 1 13 . 1 1 138 138 ASP N N 138 119.742 119.742 124.809 -5.067 25887 5148 1 13 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.631 -0.026 25887 5149 1 13 . 1 1 138 138 ASP C C 138 174.978 174.978 176.748 -1.770 25887 5150 1 13 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.023 -1.143 25887 5151 1 13 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.566 -1.331 25887 5152 1 13 . 1 1 138 138 ASP H H 138 8.097 8.097 8.718 -0.621 25887 5153 1 13 . 1 1 139 139 LEU N N 139 121.008 121.008 119.432 1.576 25887 5154 1 13 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.610 0.167 25887 5155 1 13 . 1 1 139 139 LEU CA C 139 52.011 52.011 53.367 -1.356 25887 5156 1 13 . 1 1 139 139 LEU CB C 139 42.693 42.693 40.951 1.742 25887 5157 1 13 . 1 1 139 139 LEU H H 139 8.021 8.021 7.934 0.087 25887 5158 1 13 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.361 0.273 25887 5159 1 13 . 1 1 140 140 PRO C C 140 175.419 175.419 175.118 0.301 25887 5160 1 13 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.549 -0.486 25887 5161 1 13 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.687 -0.797 25887 5162 1 13 . 1 1 141 141 LEU N N 141 123.715 123.715 120.552 3.163 25887 5163 1 13 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.431 -0.255 25887 5164 1 13 . 1 1 141 141 LEU C C 141 175.870 175.870 175.576 0.294 25887 5165 1 13 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.501 1.689 25887 5166 1 13 . 1 1 141 141 LEU CB C 141 41.678 41.678 44.061 -2.383 25887 5167 1 13 . 1 1 141 141 LEU H H 141 8.569 8.569 8.233 0.336 25887 5168 1 13 . 1 1 142 142 VAL N N 142 131.573 131.573 125.166 6.407 25887 5169 1 13 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.674 0.476 25887 5170 1 13 . 1 1 142 142 VAL C C 142 174.198 174.198 175.661 -1.463 25887 5171 1 13 . 1 1 142 142 VAL CA C 142 60.583 60.583 61.136 -0.553 25887 5172 1 13 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.610 -0.380 25887 5173 1 13 . 1 1 142 142 VAL H H 142 9.005 9.005 8.331 0.674 25887 5174 1 13 . 1 1 143 143 THR N N 143 121.430 121.430 124.947 -3.517 25887 5175 1 13 . 1 1 143 143 THR HA H 143 4.967 4.967 4.948 0.019 25887 5176 1 13 . 1 1 143 143 THR C C 143 172.546 172.546 173.582 -1.036 25887 5177 1 13 . 1 1 143 143 THR CA C 143 61.343 61.343 62.990 -1.647 25887 5178 1 13 . 1 1 143 143 THR CB C 143 69.917 69.917 70.045 -0.128 25887 5179 1 13 . 1 1 143 143 THR H H 143 8.744 8.744 8.450 0.294 25887 5180 1 13 . 1 1 144 144 LYS N N 144 126.310 126.310 124.908 1.402 25887 5181 1 13 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.282 0.307 25887 5182 1 13 . 1 1 144 144 LYS C C 144 175.839 175.839 175.336 0.503 25887 5183 1 13 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.340 0.327 25887 5184 1 13 . 1 1 144 144 LYS CB C 144 35.577 35.577 36.127 -0.550 25887 5185 1 13 . 1 1 144 144 LYS H H 144 9.397 9.397 8.307 1.090 25887 5186 1 13 . 1 1 145 145 MET N N 145 117.942 117.942 117.056 0.886 25887 5187 1 13 . 1 1 145 145 MET HA H 145 5.058 5.058 4.865 0.193 25887 5188 1 13 . 1 1 145 145 MET C C 145 174.454 174.454 173.656 0.798 25887 5189 1 13 . 1 1 145 145 MET CA C 145 54.843 54.843 54.458 0.385 25887 5190 1 13 . 1 1 145 145 MET CB C 145 35.827 35.827 35.670 0.157 25887 5191 1 13 . 1 1 145 145 MET H H 145 8.729 8.729 8.702 0.027 25887 5192 1 13 . 1 1 146 146 CYS N N 146 119.031 119.031 118.868 0.163 25887 5193 1 13 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.465 0.043 25887 5194 1 13 . 1 1 146 146 CYS C C 146 175.029 175.029 174.707 0.322 25887 5195 1 13 . 1 1 146 146 CYS CA C 146 56.669 56.669 58.083 -1.414 25887 5196 1 13 . 1 1 146 146 CYS CB C 146 46.298 46.298 31.311 14.987 25887 5197 1 13 . 1 1 146 146 CYS H H 146 8.642 8.642 8.534 0.108 25887 5198 1 13 . 1 1 147 147 HIS N N 147 120.858 120.858 119.600 1.258 25887 5199 1 13 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.884 -0.241 25887 5200 1 13 . 1 1 147 147 HIS C C 147 173.223 173.223 174.605 -1.382 25887 5201 1 13 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.655 1.946 25887 5202 1 13 . 1 1 147 147 HIS CB C 147 33.820 33.820 34.439 -0.619 25887 5203 1 13 . 1 1 147 147 HIS H H 147 9.423 9.423 8.925 0.498 25887 5204 1 13 . 1 1 148 148 ILE N N 148 125.370 125.370 121.765 3.605 25887 5205 1 13 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.068 0.302 25887 5206 1 13 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.164 1.374 25887 5207 1 13 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.085 0.011 25887 5208 1 13 . 1 1 148 148 ILE H H 148 8.374 8.374 8.123 0.251 25887 5209 1 13 . 1 1 149 149 GLY N N 149 118.093 118.093 110.892 7.201 25887 5210 1 13 . 1 1 149 149 GLY C C 149 170.853 170.853 172.164 -1.311 25887 5211 1 13 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.297 -1.756 25887 5212 1 13 . 1 1 149 149 GLY H H 149 8.367 8.367 8.021 0.346 25887 5213 1 13 . 1 1 150 150 CYS N N 150 118.529 118.529 121.030 -2.501 25887 5214 1 13 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.943 -0.125 25887 5215 1 13 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.351 -6.086 25887 5216 1 13 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.451 12.301 25887 5217 1 13 . 1 1 150 150 CYS H H 150 8.187 8.187 8.581 -0.394 25887 5218 1 13 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.655 -0.311 25887 5219 1 13 . 1 1 151 151 PRO CA C 151 62.428 62.428 63.285 -0.857 25887 5220 1 13 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.870 -1.198 25887 5221 1 13 . 1 1 152 152 ASP N N 152 117.148 117.148 119.783 -2.635 25887 5222 1 13 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.688 -0.048 25887 5223 1 13 . 1 1 152 152 ASP C C 152 175.624 175.624 175.501 0.123 25887 5224 1 13 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.464 -2.054 25887 5225 1 13 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.709 0.982 25887 5226 1 13 . 1 1 152 152 ASP H H 152 7.668 7.668 8.240 -0.572 25887 5227 1 13 . 1 1 153 153 ILE N N 153 119.719 119.719 120.901 -1.182 25887 5228 1 13 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.932 -0.019 25887 5229 1 13 . 1 1 153 153 ILE CA C 153 64.996 64.996 61.121 3.874 25887 5230 1 13 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.996 -2.002 25887 5231 1 13 . 1 1 153 153 ILE H H 153 8.327 8.327 7.662 0.665 25887 5232 1 13 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.340 0.024 25887 5233 1 13 . 1 1 154 154 PRO C C 154 178.333 178.333 177.797 0.536 25887 5234 1 13 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.321 0.682 25887 5235 1 13 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.896 -1.119 25887 5236 1 13 . 1 1 155 155 SER N N 155 112.667 112.667 114.916 -2.249 25887 5237 1 13 . 1 1 155 155 SER HA H 155 4.303 4.303 4.300 0.003 25887 5238 1 13 . 1 1 155 155 SER C C 155 175.450 175.450 174.999 0.451 25887 5239 1 13 . 1 1 155 155 SER CA C 155 60.312 60.312 60.338 -0.026 25887 5240 1 13 . 1 1 155 155 SER CB C 155 62.816 62.816 62.627 0.189 25887 5241 1 13 . 1 1 155 155 SER H H 155 7.883 7.883 8.322 -0.439 25887 5242 1 13 . 1 1 156 156 LEU N N 156 120.903 120.903 120.885 0.018 25887 5243 1 13 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.374 -0.069 25887 5244 1 13 . 1 1 156 156 LEU C C 156 177.974 177.974 175.976 1.998 25887 5245 1 13 . 1 1 156 156 LEU CA C 156 55.516 55.516 54.279 1.237 25887 5246 1 13 . 1 1 156 156 LEU CB C 156 42.080 42.080 41.042 1.038 25887 5247 1 13 . 1 1 156 156 LEU H H 156 7.770 7.770 7.188 0.582 25887 5248 1 13 . 1 1 157 157 GLY N N 157 105.004 105.004 106.782 -1.778 25887 5249 1 13 . 1 1 157 157 GLY C C 157 174.321 174.321 174.742 -0.421 25887 5250 1 13 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.023 1.164 25887 5251 1 13 . 1 1 157 157 GLY H H 157 7.666 7.666 7.436 0.230 25887 5252 1 13 . 1 1 158 158 LEU N N 158 119.534 119.534 119.321 0.213 25887 5253 1 13 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.281 0.251 25887 5254 1 13 . 1 1 158 158 LEU C C 158 176.712 176.712 177.557 -0.845 25887 5255 1 13 . 1 1 158 158 LEU CA C 158 53.760 53.760 56.156 -2.396 25887 5256 1 13 . 1 1 158 158 LEU CB C 158 42.761 42.761 41.972 0.789 25887 5257 1 13 . 1 1 158 158 LEU H H 158 8.203 8.203 7.472 0.731 25887 5258 1 13 . 1 1 159 159 GLY N N 159 108.700 108.700 107.200 1.500 25887 5259 1 13 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.304 -0.888 25887 5260 1 13 . 1 1 159 159 GLY H H 159 8.055 8.055 8.043 0.012 25887 5261 1 13 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.320 0.056 25887 5262 1 13 . 1 1 160 160 PRO C C 160 177.112 177.112 175.909 1.203 25887 5263 1 13 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.016 -0.705 25887 5264 1 13 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.239 -0.677 25887 5265 1 13 . 1 1 161 161 TYR N N 161 119.287 119.287 118.858 0.429 25887 5266 1 13 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.604 0.214 25887 5267 1 13 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.795 -1.377 25887 5268 1 13 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.873 -1.913 25887 5269 1 13 . 1 1 161 161 TYR H H 161 8.130 8.130 7.452 0.678 25887 5270 1 13 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.085 0.648 25887 5271 1 13 . 1 1 162 162 VAL CA C 162 60.346 60.346 61.590 -1.244 25887 5272 1 13 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.730 5.678 25887 5273 1 13 . 1 1 163 163 SER N N 163 119.428 119.428 124.642 -5.214 25887 5274 1 13 . 1 1 163 163 SER HA H 163 4.788 4.788 4.581 0.207 25887 5275 1 13 . 1 1 163 163 SER C C 163 173.141 173.141 172.970 0.171 25887 5276 1 13 . 1 1 163 163 SER CA C 163 56.672 56.672 57.622 -0.950 25887 5277 1 13 . 1 1 163 163 SER CB C 163 64.650 64.650 64.156 0.494 25887 5278 1 13 . 1 1 163 163 SER H H 163 8.641 8.641 8.460 0.181 25887 5279 1 13 . 1 1 164 164 ILE N N 164 123.448 123.448 126.539 -3.091 25887 5280 1 13 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.992 -0.246 25887 5281 1 13 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.119 0.510 25887 5282 1 13 . 1 1 164 164 ILE CB C 164 41.311 41.311 39.832 1.479 25887 5283 1 13 . 1 1 164 164 ILE H H 164 8.496 8.496 8.705 -0.209 25887 5284 1 13 . 1 1 165 165 ALA N N 165 129.783 129.783 132.050 -2.267 25887 5285 1 13 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.807 0.063 25887 5286 1 13 . 1 1 165 165 ALA C C 165 176.219 176.219 175.744 0.475 25887 5287 1 13 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.682 0.098 25887 5288 1 13 . 1 1 165 165 ALA CB C 165 21.348 21.348 19.826 1.522 25887 5289 1 13 . 1 1 165 165 ALA H H 165 8.941 8.941 8.493 0.448 25887 5290 1 13 . 1 1 166 166 CYS N N 166 119.842 119.842 120.576 -0.734 25887 5291 1 13 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.550 0.002 25887 5292 1 13 . 1 1 166 166 CYS C C 166 172.289 172.289 174.908 -2.619 25887 5293 1 13 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.111 -3.993 25887 5294 1 13 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.272 19.554 25887 5295 1 13 . 1 1 166 166 CYS H H 166 9.049 9.049 8.470 0.579 25887 5296 1 13 . 1 1 167 167 CYS N N 167 118.569 118.569 118.605 -0.036 25887 5297 1 13 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.732 0.504 25887 5298 1 13 . 1 1 167 167 CYS C C 167 173.562 173.562 174.204 -0.642 25887 5299 1 13 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.579 -3.438 25887 5300 1 13 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.107 15.356 25887 5301 1 13 . 1 1 167 167 CYS H H 167 9.297 9.297 8.964 0.333 25887 5302 1 13 . 1 1 168 168 GLN N N 168 118.916 118.916 120.586 -1.670 25887 5303 1 13 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.468 0.362 25887 5304 1 13 . 1 1 168 168 GLN C C 168 174.362 174.362 174.639 -0.277 25887 5305 1 13 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.770 0.215 25887 5306 1 13 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.414 4.274 25887 5307 1 13 . 1 1 168 168 GLN H H 168 9.105 9.105 8.570 0.535 25887 5308 1 13 . 1 1 169 169 THR N N 169 110.926 110.926 112.221 -1.295 25887 5309 1 13 . 1 1 169 169 THR HA H 169 4.813 4.813 4.607 0.206 25887 5310 1 13 . 1 1 169 169 THR C C 169 173.859 173.859 173.950 -0.091 25887 5311 1 13 . 1 1 169 169 THR CA C 169 60.038 60.038 60.711 -0.673 25887 5312 1 13 . 1 1 169 169 THR CB C 169 71.377 71.377 71.903 -0.526 25887 5313 1 13 . 1 1 169 169 THR H H 169 7.540 7.540 7.557 -0.017 25887 5314 1 13 . 1 1 170 170 SER N N 170 117.386 117.386 119.007 -1.621 25887 5315 1 13 . 1 1 170 170 SER HA H 170 4.850 4.850 4.327 0.523 25887 5316 1 13 . 1 1 170 170 SER C C 170 175.757 175.757 175.604 0.153 25887 5317 1 13 . 1 1 170 170 SER CA C 170 60.987 60.987 58.789 2.198 25887 5318 1 13 . 1 1 170 170 SER CB C 170 63.104 63.104 63.347 -0.243 25887 5319 1 13 . 1 1 170 170 SER H H 170 8.814 8.814 8.584 0.230 25887 5320 1 13 . 1 1 171 171 LEU N N 171 116.724 116.724 118.899 -2.175 25887 5321 1 13 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.837 -0.177 25887 5322 1 13 . 1 1 171 171 LEU C C 171 176.055 176.055 177.536 -1.481 25887 5323 1 13 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.170 0.855 25887 5324 1 13 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.700 -1.413 25887 5325 1 13 . 1 1 171 171 LEU H H 171 9.570 9.570 8.651 0.919 25887 5326 1 13 . 1 1 172 172 CYS N N 172 113.842 113.842 112.877 0.965 25887 5327 1 13 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.699 -0.085 25887 5328 1 13 . 1 1 172 172 CYS C C 172 174.424 174.424 175.200 -0.776 25887 5329 1 13 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.409 0.401 25887 5330 1 13 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.099 19.473 25887 5331 1 13 . 1 1 172 172 CYS H H 172 8.221 8.221 7.702 0.519 25887 5332 1 13 . 1 1 173 173 ASN N N 173 121.019 121.019 117.814 3.205 25887 5333 1 13 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.803 -0.046 25887 5334 1 13 . 1 1 173 173 ASN C C 173 174.239 174.239 175.454 -1.215 25887 5335 1 13 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.941 -2.176 25887 5336 1 13 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.918 -3.517 25887 5337 1 13 . 1 1 173 173 ASN H H 173 8.458 8.458 8.275 0.183 25887 5338 1 13 . 1 1 174 174 HIS N N 174 115.973 115.973 117.873 -1.900 25887 5339 1 13 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.656 -0.344 25887 5340 1 13 . 1 1 174 174 HIS C C 174 173.213 173.213 174.940 -1.727 25887 5341 1 13 . 1 1 174 174 HIS CA C 174 53.844 53.844 54.584 -0.740 25887 5342 1 13 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.459 -1.349 25887 5343 1 13 . 1 1 174 174 HIS H H 174 7.170 7.170 7.759 -0.589 25887 5344 1 14 . 1 1 101 101 ILE N N 101 123.543 123.543 116.159 7.384 25887 5345 1 14 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.882 -0.274 25887 5346 1 14 . 1 1 101 101 ILE C C 101 172.659 172.659 173.719 -1.060 25887 5347 1 14 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.083 0.571 25887 5348 1 14 . 1 1 101 101 ILE CB C 101 41.301 41.301 40.681 0.620 25887 5349 1 14 . 1 1 101 101 ILE H H 101 8.681 8.681 7.628 1.054 25887 5350 1 14 . 1 1 102 102 TRP N N 102 123.817 123.817 120.551 3.266 25887 5351 1 14 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.261 -0.163 25887 5352 1 14 . 1 1 102 102 TRP C C 102 175.757 175.757 175.898 -0.141 25887 5353 1 14 . 1 1 102 102 TRP CA C 102 55.779 55.779 55.755 0.024 25887 5354 1 14 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.204 0.002 25887 5355 1 14 . 1 1 102 102 TRP H H 102 8.008 8.008 8.465 -0.457 25887 5356 1 14 . 1 1 103 103 CYS N N 103 116.424 116.424 119.975 -3.551 25887 5357 1 14 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.776 0.319 25887 5358 1 14 . 1 1 103 103 CYS C C 103 175.070 175.070 173.050 2.020 25887 5359 1 14 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.421 -5.410 25887 5360 1 14 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.760 10.184 25887 5361 1 14 . 1 1 103 103 CYS H H 103 8.481 8.481 8.918 -0.437 25887 5362 1 14 . 1 1 104 104 HIS N N 104 123.159 123.159 118.797 4.362 25887 5363 1 14 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.179 -0.583 25887 5364 1 14 . 1 1 104 104 HIS C C 104 176.075 176.075 175.402 0.673 25887 5365 1 14 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.452 3.281 25887 5366 1 14 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.098 0.886 25887 5367 1 14 . 1 1 104 104 HIS H H 104 9.364 9.364 8.608 0.756 25887 5368 1 14 . 1 1 105 105 GLN N N 105 123.570 123.570 122.916 0.654 25887 5369 1 14 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.740 0.238 25887 5370 1 14 . 1 1 105 105 GLN C C 105 173.623 173.623 174.699 -1.076 25887 5371 1 14 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.362 -0.993 25887 5372 1 14 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.459 1.323 25887 5373 1 14 . 1 1 105 105 GLN H H 105 8.108 8.108 8.148 -0.040 25887 5374 1 14 . 1 1 106 106 CYS N N 106 118.604 118.604 119.751 -1.147 25887 5375 1 14 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.438 0.513 25887 5376 1 14 . 1 1 106 106 CYS C C 106 171.120 171.120 176.446 -5.326 25887 5377 1 14 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.870 -4.963 25887 5378 1 14 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.426 11.213 25887 5379 1 14 . 1 1 106 106 CYS H H 106 8.458 8.458 8.183 0.275 25887 5380 1 14 . 1 1 107 107 THR N N 107 113.541 113.541 119.205 -5.664 25887 5381 1 14 . 1 1 107 107 THR HA H 107 5.500 5.500 4.113 1.387 25887 5382 1 14 . 1 1 107 107 THR C C 107 173.592 173.592 174.152 -0.560 25887 5383 1 14 . 1 1 107 107 THR CA C 107 60.161 60.161 64.531 -4.370 25887 5384 1 14 . 1 1 107 107 THR CB C 107 71.879 71.879 68.817 3.062 25887 5385 1 14 . 1 1 107 107 THR H H 107 8.400 8.400 8.763 -0.363 25887 5386 1 14 . 1 1 108 108 GLY N N 108 110.549 110.549 108.872 1.677 25887 5387 1 14 . 1 1 108 108 GLY C C 108 171.694 171.694 173.086 -1.392 25887 5388 1 14 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.679 0.769 25887 5389 1 14 . 1 1 108 108 GLY H H 108 8.817 8.817 7.700 1.117 25887 5390 1 14 . 1 1 109 109 PHE N N 109 120.830 120.830 123.539 -2.709 25887 5391 1 14 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.641 0.483 25887 5392 1 14 . 1 1 109 109 PHE C C 109 177.225 177.225 175.191 2.034 25887 5393 1 14 . 1 1 109 109 PHE CA C 109 58.438 58.438 56.792 1.645 25887 5394 1 14 . 1 1 109 109 PHE CB C 109 38.408 38.408 40.243 -1.835 25887 5395 1 14 . 1 1 109 109 PHE H H 109 8.924 8.924 8.522 0.402 25887 5396 1 14 . 1 1 110 110 GLY N N 110 113.069 113.069 107.996 5.073 25887 5397 1 14 . 1 1 110 110 GLY C C 110 172.546 172.546 174.993 -2.447 25887 5398 1 14 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.227 0.481 25887 5399 1 14 . 1 1 110 110 GLY H H 110 9.442 9.442 8.381 1.061 25887 5400 1 14 . 1 1 111 111 GLY N N 111 106.335 106.335 105.479 0.856 25887 5401 1 14 . 1 1 111 111 GLY C C 111 171.664 171.664 174.898 -3.234 25887 5402 1 14 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.456 -0.200 25887 5403 1 14 . 1 1 111 111 GLY H H 111 7.095 7.095 8.241 -1.146 25887 5404 1 14 . 1 1 112 112 CYS N N 112 111.804 111.804 119.357 -7.553 25887 5405 1 14 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.434 0.322 25887 5406 1 14 . 1 1 112 112 CYS C C 112 171.027 171.027 174.309 -3.282 25887 5407 1 14 . 1 1 112 112 CYS CA C 112 56.123 56.123 59.315 -3.192 25887 5408 1 14 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.325 13.465 25887 5409 1 14 . 1 1 112 112 CYS H H 112 8.477 8.477 8.302 0.175 25887 5410 1 14 . 1 1 113 113 SER N N 113 116.083 116.083 118.607 -2.524 25887 5411 1 14 . 1 1 113 113 SER HA H 113 4.603 4.603 4.194 0.409 25887 5412 1 14 . 1 1 113 113 SER C C 113 174.536 174.536 173.023 1.513 25887 5413 1 14 . 1 1 113 113 SER CA C 113 56.493 56.493 57.612 -1.119 25887 5414 1 14 . 1 1 113 113 SER CB C 113 65.160 65.160 64.957 0.203 25887 5415 1 14 . 1 1 113 113 SER H H 113 8.693 8.693 8.550 0.143 25887 5416 1 14 . 1 1 114 114 HIS N N 114 126.668 126.668 122.734 3.934 25887 5417 1 14 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.618 -0.050 25887 5418 1 14 . 1 1 114 114 HIS C C 114 172.515 172.515 174.017 -1.502 25887 5419 1 14 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.687 0.200 25887 5420 1 14 . 1 1 114 114 HIS CB C 114 27.276 27.276 31.462 -4.186 25887 5421 1 14 . 1 1 114 114 HIS H H 114 11.587 11.587 8.173 3.414 25887 5422 1 14 . 1 1 115 115 GLY N N 115 119.128 119.128 111.648 7.480 25887 5423 1 14 . 1 1 115 115 GLY C C 115 173.018 173.018 173.405 -0.387 25887 5424 1 14 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.580 0.878 25887 5425 1 14 . 1 1 115 115 GLY H H 115 9.361 9.361 8.585 0.776 25887 5426 1 14 . 1 1 116 116 SER N N 116 118.656 118.656 119.916 -1.260 25887 5427 1 14 . 1 1 116 116 SER HA H 116 4.451 4.451 4.791 -0.340 25887 5428 1 14 . 1 1 116 116 SER C C 116 171.848 171.848 173.288 -1.440 25887 5429 1 14 . 1 1 116 116 SER CA C 116 57.256 57.256 55.945 1.311 25887 5430 1 14 . 1 1 116 116 SER CB C 116 64.697 64.697 65.325 -0.628 25887 5431 1 14 . 1 1 116 116 SER H H 116 8.151 8.151 8.850 -0.699 25887 5432 1 14 . 1 1 117 117 ARG N N 117 124.682 124.682 120.857 3.825 25887 5433 1 14 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.429 -0.475 25887 5434 1 14 . 1 1 117 117 ARG C C 117 176.671 176.671 175.758 0.913 25887 5435 1 14 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.264 0.491 25887 5436 1 14 . 1 1 117 117 ARG CB C 117 30.117 30.117 30.080 0.037 25887 5437 1 14 . 1 1 117 117 ARG H H 117 7.629 7.629 8.045 -0.416 25887 5438 1 14 . 1 1 118 118 CYS N N 118 122.932 122.932 120.895 2.037 25887 5439 1 14 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.445 0.429 25887 5440 1 14 . 1 1 118 118 CYS C C 118 174.577 174.577 174.660 -0.083 25887 5441 1 14 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.627 -5.631 25887 5442 1 14 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.617 10.680 25887 5443 1 14 . 1 1 118 118 CYS H H 118 7.852 7.852 7.825 0.027 25887 5444 1 14 . 1 1 119 119 LEU N N 119 120.027 120.027 123.958 -3.931 25887 5445 1 14 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.084 0.217 25887 5446 1 14 . 1 1 119 119 LEU C C 119 178.394 178.394 178.000 0.394 25887 5447 1 14 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.820 0.396 25887 5448 1 14 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.505 -0.813 25887 5449 1 14 . 1 1 119 119 LEU H H 119 7.980 7.980 8.568 -0.588 25887 5450 1 14 . 1 1 120 120 ARG N N 120 120.159 120.159 124.427 -4.268 25887 5451 1 14 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.962 0.076 25887 5452 1 14 . 1 1 120 120 ARG C C 120 175.624 175.624 175.813 -0.189 25887 5453 1 14 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.753 -0.337 25887 5454 1 14 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.169 0.819 25887 5455 1 14 . 1 1 120 120 ARG H H 120 8.523 8.523 8.753 -0.230 25887 5456 1 14 . 1 1 121 121 ASP N N 121 115.199 115.199 118.439 -3.240 25887 5457 1 14 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.540 -0.010 25887 5458 1 14 . 1 1 121 121 ASP C C 121 175.593 175.593 175.638 -0.045 25887 5459 1 14 . 1 1 121 121 ASP CA C 121 54.424 54.424 54.977 -0.553 25887 5460 1 14 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.859 -0.825 25887 5461 1 14 . 1 1 121 121 ASP H H 121 8.252 8.252 8.360 -0.108 25887 5462 1 14 . 1 1 122 122 SER N N 122 114.383 114.383 115.218 -0.835 25887 5463 1 14 . 1 1 122 122 SER HA H 122 4.124 4.124 4.311 -0.187 25887 5464 1 14 . 1 1 122 122 SER C C 122 173.264 173.264 174.265 -1.001 25887 5465 1 14 . 1 1 122 122 SER CA C 122 60.703 60.703 58.601 2.102 25887 5466 1 14 . 1 1 122 122 SER CB C 122 62.879 62.879 62.600 0.279 25887 5467 1 14 . 1 1 122 122 SER H H 122 7.612 7.612 7.723 -0.111 25887 5468 1 14 . 1 1 123 123 THR N N 123 111.852 111.852 118.942 -7.090 25887 5469 1 14 . 1 1 123 123 THR HA H 123 4.519 4.519 4.545 -0.026 25887 5470 1 14 . 1 1 123 123 THR C C 123 173.356 173.356 173.765 -0.409 25887 5471 1 14 . 1 1 123 123 THR CA C 123 61.888 61.888 61.608 0.280 25887 5472 1 14 . 1 1 123 123 THR CB C 123 70.830 70.830 69.032 1.798 25887 5473 1 14 . 1 1 123 123 THR H H 123 8.413 8.413 8.281 0.132 25887 5474 1 14 . 1 1 124 124 HIS N N 124 120.615 120.615 117.726 2.889 25887 5475 1 14 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.883 0.273 25887 5476 1 14 . 1 1 124 124 HIS C C 124 174.177 174.177 173.997 0.180 25887 5477 1 14 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.683 0.317 25887 5478 1 14 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.476 1.268 25887 5479 1 14 . 1 1 124 124 HIS H H 124 8.630 8.630 7.752 0.878 25887 5480 1 14 . 1 1 125 125 CYS N N 125 115.755 115.755 117.894 -2.139 25887 5481 1 14 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.257 0.459 25887 5482 1 14 . 1 1 125 125 CYS C C 125 174.906 174.906 173.293 1.613 25887 5483 1 14 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.837 -5.665 25887 5484 1 14 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.992 6.492 25887 5485 1 14 . 1 1 125 125 CYS H H 125 9.102 9.102 8.572 0.530 25887 5486 1 14 . 1 1 126 126 VAL N N 126 121.353 121.353 121.199 0.154 25887 5487 1 14 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.499 0.700 25887 5488 1 14 . 1 1 126 126 VAL C C 126 176.004 176.004 174.773 1.231 25887 5489 1 14 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.892 -0.338 25887 5490 1 14 . 1 1 126 126 VAL CB C 126 35.605 35.605 34.463 1.142 25887 5491 1 14 . 1 1 126 126 VAL H H 126 9.077 9.077 9.229 -0.152 25887 5492 1 14 . 1 1 127 127 THR N N 127 125.497 125.497 123.715 1.782 25887 5493 1 14 . 1 1 127 127 THR HA H 127 5.192 5.192 5.079 0.113 25887 5494 1 14 . 1 1 127 127 THR C C 127 173.510 173.510 174.159 -0.649 25887 5495 1 14 . 1 1 127 127 THR CA C 127 61.909 61.909 61.033 0.876 25887 5496 1 14 . 1 1 127 127 THR CB C 127 71.018 71.018 69.553 1.465 25887 5497 1 14 . 1 1 127 127 THR H H 127 9.031 9.031 8.780 0.251 25887 5498 1 14 . 1 1 128 128 THR N N 128 121.196 121.196 118.151 3.045 25887 5499 1 14 . 1 1 128 128 THR HA H 128 5.500 5.500 5.236 0.264 25887 5500 1 14 . 1 1 128 128 THR C C 128 172.228 172.228 172.449 -0.221 25887 5501 1 14 . 1 1 128 128 THR CA C 128 59.004 59.004 59.094 -0.090 25887 5502 1 14 . 1 1 128 128 THR CB C 128 70.306 70.306 71.607 -1.301 25887 5503 1 14 . 1 1 128 128 THR H H 128 9.625 9.625 8.298 1.327 25887 5504 1 14 . 1 1 129 129 ALA N N 129 124.169 124.169 120.829 3.340 25887 5505 1 14 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.123 0.377 25887 5506 1 14 . 1 1 129 129 ALA C C 129 176.424 176.424 176.054 0.370 25887 5507 1 14 . 1 1 129 129 ALA CA C 129 50.495 50.495 51.254 -0.759 25887 5508 1 14 . 1 1 129 129 ALA CB C 129 21.348 21.348 22.080 -0.732 25887 5509 1 14 . 1 1 129 129 ALA H H 129 8.539 8.539 8.180 0.359 25887 5510 1 14 . 1 1 130 130 THR N N 130 116.687 116.687 115.896 0.791 25887 5511 1 14 . 1 1 130 130 THR HA H 130 4.890 4.890 4.755 0.135 25887 5512 1 14 . 1 1 130 130 THR C C 130 172.854 172.854 174.139 -1.285 25887 5513 1 14 . 1 1 130 130 THR CA C 130 60.678 60.678 59.106 1.572 25887 5514 1 14 . 1 1 130 130 THR CB C 130 70.352 70.352 72.240 -1.888 25887 5515 1 14 . 1 1 130 130 THR H H 130 8.636 8.636 8.579 0.057 25887 5516 1 14 . 1 1 131 131 ARG N N 131 124.260 124.260 120.209 4.051 25887 5517 1 14 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.185 0.465 25887 5518 1 14 . 1 1 131 131 ARG C C 131 175.603 175.603 177.409 -1.806 25887 5519 1 14 . 1 1 131 131 ARG CA C 131 55.458 55.458 56.865 -1.407 25887 5520 1 14 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.080 -0.325 25887 5521 1 14 . 1 1 131 131 ARG H H 131 8.540 8.540 8.491 0.049 25887 5522 1 14 . 1 1 132 132 VAL N N 132 121.349 121.349 124.565 -3.216 25887 5523 1 14 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.002 0.230 25887 5524 1 14 . 1 1 132 132 VAL C C 132 175.727 175.727 176.573 -0.846 25887 5525 1 14 . 1 1 132 132 VAL CA C 132 61.835 61.835 63.468 -1.633 25887 5526 1 14 . 1 1 132 132 VAL CB C 132 32.636 32.636 29.636 3.000 25887 5527 1 14 . 1 1 132 132 VAL H H 132 8.430 8.430 8.692 -0.262 25887 5528 1 14 . 1 1 133 133 LEU N N 133 124.364 124.364 124.224 0.140 25887 5529 1 14 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.189 0.263 25887 5530 1 14 . 1 1 133 133 LEU C C 133 176.753 176.753 177.512 -0.759 25887 5531 1 14 . 1 1 133 133 LEU CA C 133 54.748 54.748 57.442 -2.694 25887 5532 1 14 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.741 0.132 25887 5533 1 14 . 1 1 133 133 LEU H H 133 8.246 8.246 8.469 -0.223 25887 5534 1 14 . 1 1 134 134 SER N N 134 114.791 114.791 114.307 0.484 25887 5535 1 14 . 1 1 134 134 SER HA H 134 4.490 4.490 4.327 0.163 25887 5536 1 14 . 1 1 134 134 SER C C 134 173.900 173.900 175.006 -1.106 25887 5537 1 14 . 1 1 134 134 SER CA C 134 57.970 57.970 58.642 -0.671 25887 5538 1 14 . 1 1 134 134 SER CB C 134 63.375 63.375 63.329 0.046 25887 5539 1 14 . 1 1 134 134 SER H H 134 8.078 8.078 8.112 -0.034 25887 5540 1 14 . 1 1 135 135 ASN N N 135 119.634 119.634 116.989 2.645 25887 5541 1 14 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.437 0.340 25887 5542 1 14 . 1 1 135 135 ASN C C 135 175.337 175.337 173.951 1.386 25887 5543 1 14 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.515 -1.445 25887 5544 1 14 . 1 1 135 135 ASN CB C 135 38.346 38.346 37.383 0.963 25887 5545 1 14 . 1 1 135 135 ASN H H 135 8.287 8.287 7.934 0.353 25887 5546 1 14 . 1 1 136 136 THR N N 136 112.097 112.097 113.685 -1.588 25887 5547 1 14 . 1 1 136 136 THR HA H 136 4.311 4.311 4.322 -0.011 25887 5548 1 14 . 1 1 136 136 THR C C 136 174.280 174.280 174.622 -0.342 25887 5549 1 14 . 1 1 136 136 THR CA C 136 62.131 62.131 62.398 -0.266 25887 5550 1 14 . 1 1 136 136 THR CB C 136 69.106 69.106 69.620 -0.514 25887 5551 1 14 . 1 1 136 136 THR H H 136 8.085 8.085 7.903 0.182 25887 5552 1 14 . 1 1 137 137 GLU N N 137 120.207 120.207 126.425 -6.218 25887 5553 1 14 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.387 -0.023 25887 5554 1 14 . 1 1 137 137 GLU C C 137 175.296 175.296 175.797 -0.501 25887 5555 1 14 . 1 1 137 137 GLU CA C 137 55.754 55.754 56.873 -1.119 25887 5556 1 14 . 1 1 137 137 GLU CB C 137 29.189 29.189 29.566 -0.377 25887 5557 1 14 . 1 1 137 137 GLU H H 137 8.035 8.035 8.808 -0.773 25887 5558 1 14 . 1 1 138 138 ASP N N 138 119.742 119.742 119.815 -0.073 25887 5559 1 14 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.628 -0.023 25887 5560 1 14 . 1 1 138 138 ASP C C 138 174.978 174.978 176.234 -1.256 25887 5561 1 14 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.814 -1.934 25887 5562 1 14 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.644 -1.409 25887 5563 1 14 . 1 1 138 138 ASP H H 138 8.097 8.097 7.961 0.136 25887 5564 1 14 . 1 1 139 139 LEU N N 139 121.008 121.008 118.748 2.260 25887 5565 1 14 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.765 0.012 25887 5566 1 14 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.232 -0.221 25887 5567 1 14 . 1 1 139 139 LEU CB C 139 42.693 42.693 43.900 -1.207 25887 5568 1 14 . 1 1 139 139 LEU H H 139 8.021 8.021 7.649 0.372 25887 5569 1 14 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.456 0.178 25887 5570 1 14 . 1 1 140 140 PRO C C 140 175.419 175.419 175.685 -0.266 25887 5571 1 14 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.192 -0.129 25887 5572 1 14 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.629 -0.739 25887 5573 1 14 . 1 1 141 141 LEU N N 141 123.715 123.715 120.212 3.503 25887 5574 1 14 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.535 -0.359 25887 5575 1 14 . 1 1 141 141 LEU C C 141 175.870 175.870 175.722 0.148 25887 5576 1 14 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.819 1.371 25887 5577 1 14 . 1 1 141 141 LEU CB C 141 41.678 41.678 42.836 -1.158 25887 5578 1 14 . 1 1 141 141 LEU H H 141 8.569 8.569 7.900 0.669 25887 5579 1 14 . 1 1 142 142 VAL N N 142 131.573 131.573 123.676 7.897 25887 5580 1 14 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.800 0.350 25887 5581 1 14 . 1 1 142 142 VAL C C 142 174.198 174.198 175.439 -1.241 25887 5582 1 14 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.455 0.128 25887 5583 1 14 . 1 1 142 142 VAL CB C 142 33.230 33.230 35.519 -2.289 25887 5584 1 14 . 1 1 142 142 VAL H H 142 9.005 9.005 8.239 0.766 25887 5585 1 14 . 1 1 143 143 THR N N 143 121.430 121.430 120.011 1.419 25887 5586 1 14 . 1 1 143 143 THR HA H 143 4.967 4.967 4.602 0.365 25887 5587 1 14 . 1 1 143 143 THR C C 143 172.546 172.546 172.890 -0.344 25887 5588 1 14 . 1 1 143 143 THR CA C 143 61.343 61.343 62.149 -0.806 25887 5589 1 14 . 1 1 143 143 THR CB C 143 69.917 69.917 70.118 -0.201 25887 5590 1 14 . 1 1 143 143 THR H H 143 8.744 8.744 8.631 0.113 25887 5591 1 14 . 1 1 144 144 LYS N N 144 126.310 126.310 128.360 -2.050 25887 5592 1 14 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.572 0.017 25887 5593 1 14 . 1 1 144 144 LYS C C 144 175.839 175.839 176.571 -0.732 25887 5594 1 14 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.254 -0.587 25887 5595 1 14 . 1 1 144 144 LYS CB C 144 35.577 35.577 34.969 0.608 25887 5596 1 14 . 1 1 144 144 LYS H H 144 9.397 9.397 8.123 1.274 25887 5597 1 14 . 1 1 145 145 MET N N 145 117.942 117.942 118.440 -0.498 25887 5598 1 14 . 1 1 145 145 MET HA H 145 5.058 5.058 4.896 0.162 25887 5599 1 14 . 1 1 145 145 MET C C 145 174.454 174.454 173.501 0.953 25887 5600 1 14 . 1 1 145 145 MET CA C 145 54.843 54.843 54.508 0.335 25887 5601 1 14 . 1 1 145 145 MET CB C 145 35.827 35.827 35.761 0.066 25887 5602 1 14 . 1 1 145 145 MET H H 145 8.729 8.729 8.574 0.155 25887 5603 1 14 . 1 1 146 146 CYS N N 146 119.031 119.031 117.023 2.008 25887 5604 1 14 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.476 0.032 25887 5605 1 14 . 1 1 146 146 CYS C C 146 175.029 175.029 174.359 0.670 25887 5606 1 14 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.634 -0.965 25887 5607 1 14 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.117 16.181 25887 5608 1 14 . 1 1 146 146 CYS H H 146 8.642 8.642 8.547 0.095 25887 5609 1 14 . 1 1 147 147 HIS N N 147 120.858 120.858 119.525 1.333 25887 5610 1 14 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.666 -0.023 25887 5611 1 14 . 1 1 147 147 HIS C C 147 173.223 173.223 174.329 -1.106 25887 5612 1 14 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.321 1.280 25887 5613 1 14 . 1 1 147 147 HIS CB C 147 33.820 33.820 32.882 0.938 25887 5614 1 14 . 1 1 147 147 HIS H H 147 9.423 9.423 8.599 0.824 25887 5615 1 14 . 1 1 148 148 ILE N N 148 125.370 125.370 121.149 4.221 25887 5616 1 14 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.366 0.004 25887 5617 1 14 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.576 0.962 25887 5618 1 14 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.757 -0.661 25887 5619 1 14 . 1 1 148 148 ILE H H 148 8.374 8.374 8.044 0.330 25887 5620 1 14 . 1 1 149 149 GLY N N 149 118.093 118.093 110.316 7.777 25887 5621 1 14 . 1 1 149 149 GLY C C 149 170.853 170.853 172.142 -1.289 25887 5622 1 14 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.895 -1.354 25887 5623 1 14 . 1 1 149 149 GLY H H 149 8.367 8.367 7.505 0.862 25887 5624 1 14 . 1 1 150 150 CYS N N 150 118.529 118.529 120.881 -2.352 25887 5625 1 14 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.871 -0.053 25887 5626 1 14 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.681 -6.416 25887 5627 1 14 . 1 1 150 150 CYS CB C 150 38.752 38.752 25.918 12.834 25887 5628 1 14 . 1 1 150 150 CYS H H 150 8.187 8.187 8.519 -0.332 25887 5629 1 14 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.528 -0.184 25887 5630 1 14 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.868 -0.440 25887 5631 1 14 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.316 -0.644 25887 5632 1 14 . 1 1 152 152 ASP N N 152 117.148 117.148 118.991 -1.843 25887 5633 1 14 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.733 -0.093 25887 5634 1 14 . 1 1 152 152 ASP C C 152 175.624 175.624 175.451 0.173 25887 5635 1 14 . 1 1 152 152 ASP CA C 152 51.410 51.410 53.669 -2.259 25887 5636 1 14 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.449 0.242 25887 5637 1 14 . 1 1 152 152 ASP H H 152 7.668 7.668 8.223 -0.555 25887 5638 1 14 . 1 1 153 153 ILE N N 153 119.719 119.719 123.148 -3.429 25887 5639 1 14 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.470 -0.557 25887 5640 1 14 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.689 6.307 25887 5641 1 14 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.769 -2.775 25887 5642 1 14 . 1 1 153 153 ILE H H 153 8.327 8.327 8.483 -0.156 25887 5643 1 14 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.434 -0.070 25887 5644 1 14 . 1 1 154 154 PRO C C 154 178.333 178.333 177.967 0.366 25887 5645 1 14 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.472 0.532 25887 5646 1 14 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.892 -1.115 25887 5647 1 14 . 1 1 155 155 SER N N 155 112.667 112.667 112.718 -0.051 25887 5648 1 14 . 1 1 155 155 SER HA H 155 4.303 4.303 4.242 0.061 25887 5649 1 14 . 1 1 155 155 SER C C 155 175.450 175.450 175.729 -0.279 25887 5650 1 14 . 1 1 155 155 SER CA C 155 60.312 60.312 59.737 0.575 25887 5651 1 14 . 1 1 155 155 SER CB C 155 62.816 62.816 62.568 0.248 25887 5652 1 14 . 1 1 155 155 SER H H 155 7.883 7.883 8.111 -0.228 25887 5653 1 14 . 1 1 156 156 LEU N N 156 120.903 120.903 121.382 -0.479 25887 5654 1 14 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.154 0.151 25887 5655 1 14 . 1 1 156 156 LEU C C 156 177.974 177.974 176.772 1.202 25887 5656 1 14 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.256 -0.740 25887 5657 1 14 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.305 -0.225 25887 5658 1 14 . 1 1 156 156 LEU H H 156 7.770 7.770 7.493 0.277 25887 5659 1 14 . 1 1 157 157 GLY N N 157 105.004 105.004 104.438 0.566 25887 5660 1 14 . 1 1 157 157 GLY C C 157 174.321 174.321 174.073 0.248 25887 5661 1 14 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.958 1.229 25887 5662 1 14 . 1 1 157 157 GLY H H 157 7.666 7.666 7.428 0.238 25887 5663 1 14 . 1 1 158 158 LEU N N 158 119.534 119.534 122.744 -3.210 25887 5664 1 14 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.289 0.243 25887 5665 1 14 . 1 1 158 158 LEU C C 158 176.712 176.712 176.814 -0.102 25887 5666 1 14 . 1 1 158 158 LEU CA C 158 53.760 53.760 57.090 -3.330 25887 5667 1 14 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.545 0.216 25887 5668 1 14 . 1 1 158 158 LEU H H 158 8.203 8.203 8.459 -0.256 25887 5669 1 14 . 1 1 159 159 GLY N N 159 108.700 108.700 102.586 6.114 25887 5670 1 14 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.219 -0.803 25887 5671 1 14 . 1 1 159 159 GLY H H 159 8.055 8.055 7.703 0.352 25887 5672 1 14 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.363 0.013 25887 5673 1 14 . 1 1 160 160 PRO C C 160 177.112 177.112 176.585 0.527 25887 5674 1 14 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.970 -0.659 25887 5675 1 14 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.823 -0.261 25887 5676 1 14 . 1 1 161 161 TYR N N 161 119.287 119.287 117.083 2.204 25887 5677 1 14 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.431 0.387 25887 5678 1 14 . 1 1 161 161 TYR CA C 161 56.419 56.419 58.097 -1.678 25887 5679 1 14 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.008 -1.047 25887 5680 1 14 . 1 1 161 161 TYR H H 161 8.130 8.130 8.012 0.118 25887 5681 1 14 . 1 1 162 162 VAL HA H 162 4.733 4.733 3.978 0.755 25887 5682 1 14 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.891 -2.545 25887 5683 1 14 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.351 6.057 25887 5684 1 14 . 1 1 163 163 SER N N 163 119.428 119.428 115.927 3.501 25887 5685 1 14 . 1 1 163 163 SER HA H 163 4.788 4.788 4.757 0.031 25887 5686 1 14 . 1 1 163 163 SER C C 163 173.141 173.141 173.332 -0.191 25887 5687 1 14 . 1 1 163 163 SER CA C 163 56.672 56.672 57.780 -1.108 25887 5688 1 14 . 1 1 163 163 SER CB C 163 64.650 64.650 65.301 -0.651 25887 5689 1 14 . 1 1 163 163 SER H H 163 8.641 8.641 7.878 0.763 25887 5690 1 14 . 1 1 164 164 ILE N N 164 123.448 123.448 123.397 0.051 25887 5691 1 14 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.245 0.501 25887 5692 1 14 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.606 0.023 25887 5693 1 14 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.621 0.690 25887 5694 1 14 . 1 1 164 164 ILE H H 164 8.496 8.496 8.517 -0.021 25887 5695 1 14 . 1 1 165 165 ALA N N 165 129.783 129.783 130.578 -0.795 25887 5696 1 14 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.761 0.109 25887 5697 1 14 . 1 1 165 165 ALA C C 165 176.219 176.219 176.008 0.211 25887 5698 1 14 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.562 -0.782 25887 5699 1 14 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.465 0.882 25887 5700 1 14 . 1 1 165 165 ALA H H 165 8.941 8.941 8.314 0.627 25887 5701 1 14 . 1 1 166 166 CYS N N 166 119.842 119.842 120.527 -0.685 25887 5702 1 14 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.524 0.028 25887 5703 1 14 . 1 1 166 166 CYS C C 166 172.289 172.289 174.905 -2.616 25887 5704 1 14 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.241 -4.122 25887 5705 1 14 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.913 18.913 25887 5706 1 14 . 1 1 166 166 CYS H H 166 9.049 9.049 8.430 0.619 25887 5707 1 14 . 1 1 167 167 CYS N N 167 118.569 118.569 117.341 1.228 25887 5708 1 14 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.883 0.353 25887 5709 1 14 . 1 1 167 167 CYS C C 167 173.562 173.562 173.171 0.391 25887 5710 1 14 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.445 -3.304 25887 5711 1 14 . 1 1 167 167 CYS CB C 167 45.463 45.463 29.775 15.688 25887 5712 1 14 . 1 1 167 167 CYS H H 167 9.297 9.297 8.959 0.338 25887 5713 1 14 . 1 1 168 168 GLN N N 168 118.916 118.916 120.327 -1.411 25887 5714 1 14 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.490 0.340 25887 5715 1 14 . 1 1 168 168 GLN C C 168 174.362 174.362 174.617 -0.255 25887 5716 1 14 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.693 0.292 25887 5717 1 14 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.887 3.801 25887 5718 1 14 . 1 1 168 168 GLN H H 168 9.105 9.105 8.637 0.468 25887 5719 1 14 . 1 1 169 169 THR N N 169 110.926 110.926 113.377 -2.451 25887 5720 1 14 . 1 1 169 169 THR HA H 169 4.813 4.813 4.573 0.240 25887 5721 1 14 . 1 1 169 169 THR C C 169 173.859 173.859 173.916 -0.057 25887 5722 1 14 . 1 1 169 169 THR CA C 169 60.038 60.038 60.444 -0.406 25887 5723 1 14 . 1 1 169 169 THR CB C 169 71.377 71.377 71.926 -0.549 25887 5724 1 14 . 1 1 169 169 THR H H 169 7.540 7.540 7.553 -0.013 25887 5725 1 14 . 1 1 170 170 SER N N 170 117.386 117.386 119.105 -1.719 25887 5726 1 14 . 1 1 170 170 SER HA H 170 4.850 4.850 4.297 0.553 25887 5727 1 14 . 1 1 170 170 SER C C 170 175.757 175.757 175.697 0.060 25887 5728 1 14 . 1 1 170 170 SER CA C 170 60.987 60.987 58.842 2.145 25887 5729 1 14 . 1 1 170 170 SER CB C 170 63.104 63.104 63.296 -0.192 25887 5730 1 14 . 1 1 170 170 SER H H 170 8.814 8.814 8.494 0.320 25887 5731 1 14 . 1 1 171 171 LEU N N 171 116.724 116.724 118.429 -1.705 25887 5732 1 14 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.674 -0.014 25887 5733 1 14 . 1 1 171 171 LEU C C 171 176.055 176.055 177.232 -1.177 25887 5734 1 14 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.471 0.554 25887 5735 1 14 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.880 -1.592 25887 5736 1 14 . 1 1 171 171 LEU H H 171 9.570 9.570 8.401 1.169 25887 5737 1 14 . 1 1 172 172 CYS N N 172 113.842 113.842 112.954 0.888 25887 5738 1 14 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.691 -0.077 25887 5739 1 14 . 1 1 172 172 CYS C C 172 174.424 174.424 174.884 -0.460 25887 5740 1 14 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.751 0.060 25887 5741 1 14 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.181 19.390 25887 5742 1 14 . 1 1 172 172 CYS H H 172 8.221 8.221 7.790 0.431 25887 5743 1 14 . 1 1 173 173 ASN N N 173 121.019 121.019 117.314 3.705 25887 5744 1 14 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.925 -0.168 25887 5745 1 14 . 1 1 173 173 ASN C C 173 174.239 174.239 175.906 -1.667 25887 5746 1 14 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.566 -1.801 25887 5747 1 14 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.733 -3.332 25887 5748 1 14 . 1 1 173 173 ASN H H 173 8.458 8.458 8.156 0.302 25887 5749 1 14 . 1 1 174 174 HIS N N 174 115.973 115.973 118.638 -2.665 25887 5750 1 14 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.773 -0.461 25887 5751 1 14 . 1 1 174 174 HIS C C 174 173.213 173.213 174.285 -1.072 25887 5752 1 14 . 1 1 174 174 HIS CA C 174 53.844 53.844 54.754 -0.910 25887 5753 1 14 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.682 -1.572 25887 5754 1 14 . 1 1 174 174 HIS H H 174 7.170 7.170 7.691 -0.521 25887 5755 1 15 . 1 1 101 101 ILE N N 101 123.543 123.543 116.495 7.048 25887 5756 1 15 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.630 -0.022 25887 5757 1 15 . 1 1 101 101 ILE C C 101 172.659 172.659 174.302 -1.643 25887 5758 1 15 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.631 0.023 25887 5759 1 15 . 1 1 101 101 ILE CB C 101 41.301 41.301 39.683 1.618 25887 5760 1 15 . 1 1 101 101 ILE H H 101 8.681 8.681 7.759 0.922 25887 5761 1 15 . 1 1 102 102 TRP N N 102 123.817 123.817 121.150 2.667 25887 5762 1 15 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.191 -0.093 25887 5763 1 15 . 1 1 102 102 TRP C C 102 175.757 175.757 175.952 -0.195 25887 5764 1 15 . 1 1 102 102 TRP CA C 102 55.779 55.779 55.865 -0.086 25887 5765 1 15 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.133 0.073 25887 5766 1 15 . 1 1 102 102 TRP H H 102 8.008 8.008 8.533 -0.525 25887 5767 1 15 . 1 1 103 103 CYS N N 103 116.424 116.424 119.859 -3.435 25887 5768 1 15 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.776 0.319 25887 5769 1 15 . 1 1 103 103 CYS C C 103 175.070 175.070 172.903 2.167 25887 5770 1 15 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.416 -5.405 25887 5771 1 15 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.783 10.161 25887 5772 1 15 . 1 1 103 103 CYS H H 103 8.481 8.481 8.818 -0.337 25887 5773 1 15 . 1 1 104 104 HIS N N 104 123.159 123.159 119.206 3.953 25887 5774 1 15 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.378 -0.782 25887 5775 1 15 . 1 1 104 104 HIS C C 104 176.075 176.075 175.846 0.229 25887 5776 1 15 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.441 3.292 25887 5777 1 15 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.926 1.058 25887 5778 1 15 . 1 1 104 104 HIS H H 104 9.364 9.364 8.551 0.813 25887 5779 1 15 . 1 1 105 105 GLN N N 105 123.570 123.570 125.644 -2.074 25887 5780 1 15 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.630 0.348 25887 5781 1 15 . 1 1 105 105 GLN C C 105 173.623 173.623 174.766 -1.143 25887 5782 1 15 . 1 1 105 105 GLN CA C 105 54.369 54.369 54.441 -0.071 25887 5783 1 15 . 1 1 105 105 GLN CB C 105 30.782 30.782 27.470 3.312 25887 5784 1 15 . 1 1 105 105 GLN H H 105 8.108 8.108 8.197 -0.089 25887 5785 1 15 . 1 1 106 106 CYS N N 106 118.604 118.604 119.714 -1.110 25887 5786 1 15 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.605 0.346 25887 5787 1 15 . 1 1 106 106 CYS C C 106 171.120 171.120 176.234 -5.114 25887 5788 1 15 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.666 -4.759 25887 5789 1 15 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.201 11.438 25887 5790 1 15 . 1 1 106 106 CYS H H 106 8.458 8.458 7.798 0.660 25887 5791 1 15 . 1 1 107 107 THR N N 107 113.541 113.541 119.614 -6.073 25887 5792 1 15 . 1 1 107 107 THR HA H 107 5.500 5.500 4.294 1.206 25887 5793 1 15 . 1 1 107 107 THR C C 107 173.592 173.592 174.552 -0.960 25887 5794 1 15 . 1 1 107 107 THR CA C 107 60.161 60.161 64.488 -4.327 25887 5795 1 15 . 1 1 107 107 THR CB C 107 71.879 71.879 69.462 2.417 25887 5796 1 15 . 1 1 107 107 THR H H 107 8.400 8.400 9.008 -0.608 25887 5797 1 15 . 1 1 108 108 GLY N N 108 110.549 110.549 107.242 3.307 25887 5798 1 15 . 1 1 108 108 GLY C C 108 171.694 171.694 172.525 -0.831 25887 5799 1 15 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.311 1.137 25887 5800 1 15 . 1 1 108 108 GLY H H 108 8.817 8.817 7.303 1.514 25887 5801 1 15 . 1 1 109 109 PHE N N 109 120.830 120.830 118.455 2.375 25887 5802 1 15 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.127 0.997 25887 5803 1 15 . 1 1 109 109 PHE C C 109 177.225 177.225 176.899 0.326 25887 5804 1 15 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.080 0.358 25887 5805 1 15 . 1 1 109 109 PHE CB C 109 38.408 38.408 35.693 2.715 25887 5806 1 15 . 1 1 109 109 PHE H H 109 8.924 8.924 8.247 0.677 25887 5807 1 15 . 1 1 110 110 GLY N N 110 113.069 113.069 107.379 5.690 25887 5808 1 15 . 1 1 110 110 GLY C C 110 172.546 172.546 175.490 -2.944 25887 5809 1 15 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.323 0.385 25887 5810 1 15 . 1 1 110 110 GLY H H 110 9.442 9.442 8.169 1.273 25887 5811 1 15 . 1 1 111 111 GLY N N 111 106.335 106.335 107.319 -0.984 25887 5812 1 15 . 1 1 111 111 GLY C C 111 171.664 171.664 175.511 -3.847 25887 5813 1 15 . 1 1 111 111 GLY CA C 111 44.256 44.256 45.195 -0.939 25887 5814 1 15 . 1 1 111 111 GLY H H 111 7.095 7.095 8.133 -1.038 25887 5815 1 15 . 1 1 112 112 CYS N N 112 111.804 111.804 117.773 -5.969 25887 5816 1 15 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.331 0.425 25887 5817 1 15 . 1 1 112 112 CYS C C 112 171.027 171.027 174.106 -3.079 25887 5818 1 15 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.295 -2.172 25887 5819 1 15 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.742 13.048 25887 5820 1 15 . 1 1 112 112 CYS H H 112 8.477 8.477 7.865 0.612 25887 5821 1 15 . 1 1 113 113 SER N N 113 116.083 116.083 116.033 0.050 25887 5822 1 15 . 1 1 113 113 SER HA H 113 4.603 4.603 4.037 0.566 25887 5823 1 15 . 1 1 113 113 SER C C 113 174.536 174.536 172.716 1.820 25887 5824 1 15 . 1 1 113 113 SER CA C 113 56.493 56.493 57.301 -0.808 25887 5825 1 15 . 1 1 113 113 SER CB C 113 65.160 65.160 64.321 0.839 25887 5826 1 15 . 1 1 113 113 SER H H 113 8.693 8.693 7.914 0.779 25887 5827 1 15 . 1 1 114 114 HIS N N 114 126.668 126.668 121.970 4.698 25887 5828 1 15 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.622 -0.054 25887 5829 1 15 . 1 1 114 114 HIS C C 114 172.515 172.515 173.964 -1.449 25887 5830 1 15 . 1 1 114 114 HIS CA C 114 56.887 56.887 55.952 0.935 25887 5831 1 15 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.276 -5.000 25887 5832 1 15 . 1 1 114 114 HIS H H 114 11.587 11.587 8.008 3.579 25887 5833 1 15 . 1 1 115 115 GLY N N 115 119.128 119.128 112.472 6.656 25887 5834 1 15 . 1 1 115 115 GLY C C 115 173.018 173.018 174.154 -1.136 25887 5835 1 15 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.764 0.694 25887 5836 1 15 . 1 1 115 115 GLY H H 115 9.361 9.361 8.763 0.598 25887 5837 1 15 . 1 1 116 116 SER N N 116 118.656 118.656 120.664 -2.008 25887 5838 1 15 . 1 1 116 116 SER HA H 116 4.451 4.451 4.749 -0.298 25887 5839 1 15 . 1 1 116 116 SER C C 116 171.848 171.848 173.774 -1.926 25887 5840 1 15 . 1 1 116 116 SER CA C 116 57.256 57.256 57.179 0.077 25887 5841 1 15 . 1 1 116 116 SER CB C 116 64.697 64.697 66.776 -2.079 25887 5842 1 15 . 1 1 116 116 SER H H 116 8.151 8.151 8.958 -0.807 25887 5843 1 15 . 1 1 117 117 ARG N N 117 124.682 124.682 121.839 2.843 25887 5844 1 15 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.464 -0.510 25887 5845 1 15 . 1 1 117 117 ARG C C 117 176.671 176.671 176.244 0.427 25887 5846 1 15 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.073 0.682 25887 5847 1 15 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.766 0.351 25887 5848 1 15 . 1 1 117 117 ARG H H 117 7.629 7.629 8.181 -0.552 25887 5849 1 15 . 1 1 118 118 CYS N N 118 122.932 122.932 123.369 -0.437 25887 5850 1 15 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.327 0.547 25887 5851 1 15 . 1 1 118 118 CYS C C 118 174.577 174.577 174.169 0.408 25887 5852 1 15 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.337 -6.341 25887 5853 1 15 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.873 11.424 25887 5854 1 15 . 1 1 118 118 CYS H H 118 7.852 7.852 7.668 0.184 25887 5855 1 15 . 1 1 119 119 LEU N N 119 120.027 120.027 121.401 -1.374 25887 5856 1 15 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.074 0.227 25887 5857 1 15 . 1 1 119 119 LEU C C 119 178.394 178.394 178.058 0.336 25887 5858 1 15 . 1 1 119 119 LEU CA C 119 55.216 55.216 55.208 0.008 25887 5859 1 15 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.289 -0.598 25887 5860 1 15 . 1 1 119 119 LEU H H 119 7.980 7.980 8.370 -0.390 25887 5861 1 15 . 1 1 120 120 ARG N N 120 120.159 120.159 121.072 -0.913 25887 5862 1 15 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.943 0.095 25887 5863 1 15 . 1 1 120 120 ARG C C 120 175.624 175.624 176.284 -0.660 25887 5864 1 15 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.422 -0.006 25887 5865 1 15 . 1 1 120 120 ARG CB C 120 29.988 29.988 30.003 -0.015 25887 5866 1 15 . 1 1 120 120 ARG H H 120 8.523 8.523 8.373 0.150 25887 5867 1 15 . 1 1 121 121 ASP N N 121 115.199 115.199 118.231 -3.032 25887 5868 1 15 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.633 -0.103 25887 5869 1 15 . 1 1 121 121 ASP C C 121 175.593 175.593 176.041 -0.448 25887 5870 1 15 . 1 1 121 121 ASP CA C 121 54.424 54.424 54.923 -0.499 25887 5871 1 15 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.654 -0.620 25887 5872 1 15 . 1 1 121 121 ASP H H 121 8.252 8.252 8.249 0.003 25887 5873 1 15 . 1 1 122 122 SER N N 122 114.383 114.383 115.973 -1.590 25887 5874 1 15 . 1 1 122 122 SER HA H 122 4.124 4.124 4.448 -0.324 25887 5875 1 15 . 1 1 122 122 SER C C 122 173.264 173.264 174.311 -1.047 25887 5876 1 15 . 1 1 122 122 SER CA C 122 60.703 60.703 59.364 1.339 25887 5877 1 15 . 1 1 122 122 SER CB C 122 62.879 62.879 62.027 0.852 25887 5878 1 15 . 1 1 122 122 SER H H 122 7.612 7.612 8.026 -0.414 25887 5879 1 15 . 1 1 123 123 THR N N 123 111.852 111.852 119.403 -7.551 25887 5880 1 15 . 1 1 123 123 THR HA H 123 4.519 4.519 4.368 0.151 25887 5881 1 15 . 1 1 123 123 THR C C 123 173.356 173.356 173.335 0.021 25887 5882 1 15 . 1 1 123 123 THR CA C 123 61.888 61.888 61.477 0.411 25887 5883 1 15 . 1 1 123 123 THR CB C 123 70.830 70.830 68.849 1.981 25887 5884 1 15 . 1 1 123 123 THR H H 123 8.413 8.413 8.160 0.253 25887 5885 1 15 . 1 1 124 124 HIS N N 124 120.615 120.615 118.148 2.467 25887 5886 1 15 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.943 0.213 25887 5887 1 15 . 1 1 124 124 HIS C C 124 174.177 174.177 173.707 0.470 25887 5888 1 15 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.191 0.808 25887 5889 1 15 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.642 1.102 25887 5890 1 15 . 1 1 124 124 HIS H H 124 8.630 8.630 7.714 0.916 25887 5891 1 15 . 1 1 125 125 CYS N N 125 115.755 115.755 118.255 -2.500 25887 5892 1 15 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.386 0.330 25887 5893 1 15 . 1 1 125 125 CYS C C 125 174.906 174.906 173.533 1.373 25887 5894 1 15 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.496 -5.324 25887 5895 1 15 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.696 6.788 25887 5896 1 15 . 1 1 125 125 CYS H H 125 9.102 9.102 8.552 0.550 25887 5897 1 15 . 1 1 126 126 VAL N N 126 121.353 121.353 120.087 1.266 25887 5898 1 15 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.938 0.261 25887 5899 1 15 . 1 1 126 126 VAL C C 126 176.004 176.004 175.073 0.931 25887 5900 1 15 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.856 -0.301 25887 5901 1 15 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.508 0.097 25887 5902 1 15 . 1 1 126 126 VAL H H 126 9.077 9.077 9.199 -0.122 25887 5903 1 15 . 1 1 127 127 THR N N 127 125.497 125.497 123.104 2.393 25887 5904 1 15 . 1 1 127 127 THR HA H 127 5.192 5.192 4.817 0.375 25887 5905 1 15 . 1 1 127 127 THR C C 127 173.510 173.510 173.818 -0.308 25887 5906 1 15 . 1 1 127 127 THR CA C 127 61.909 61.909 61.351 0.558 25887 5907 1 15 . 1 1 127 127 THR CB C 127 71.018 71.018 69.343 1.675 25887 5908 1 15 . 1 1 127 127 THR H H 127 9.031 9.031 9.121 -0.090 25887 5909 1 15 . 1 1 128 128 THR N N 128 121.196 121.196 118.154 3.042 25887 5910 1 15 . 1 1 128 128 THR HA H 128 5.500 5.500 5.343 0.157 25887 5911 1 15 . 1 1 128 128 THR C C 128 172.228 172.228 172.787 -0.559 25887 5912 1 15 . 1 1 128 128 THR CA C 128 59.004 59.004 58.929 0.075 25887 5913 1 15 . 1 1 128 128 THR CB C 128 70.306 70.306 71.802 -1.496 25887 5914 1 15 . 1 1 128 128 THR H H 128 9.625 9.625 9.066 0.559 25887 5915 1 15 . 1 1 129 129 ALA N N 129 124.169 124.169 122.407 1.762 25887 5916 1 15 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.990 0.510 25887 5917 1 15 . 1 1 129 129 ALA C C 129 176.424 176.424 175.844 0.580 25887 5918 1 15 . 1 1 129 129 ALA CA C 129 50.495 50.495 51.368 -0.873 25887 5919 1 15 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.194 0.154 25887 5920 1 15 . 1 1 129 129 ALA H H 129 8.539 8.539 8.120 0.419 25887 5921 1 15 . 1 1 130 130 THR N N 130 116.687 116.687 115.763 0.924 25887 5922 1 15 . 1 1 130 130 THR HA H 130 4.890 4.890 4.720 0.170 25887 5923 1 15 . 1 1 130 130 THR C C 130 172.854 172.854 173.606 -0.752 25887 5924 1 15 . 1 1 130 130 THR CA C 130 60.678 60.678 60.318 0.360 25887 5925 1 15 . 1 1 130 130 THR CB C 130 70.352 70.352 70.848 -0.496 25887 5926 1 15 . 1 1 130 130 THR H H 130 8.636 8.636 9.036 -0.400 25887 5927 1 15 . 1 1 131 131 ARG N N 131 124.260 124.260 122.999 1.261 25887 5928 1 15 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.701 -0.051 25887 5929 1 15 . 1 1 131 131 ARG C C 131 175.603 175.603 174.732 0.871 25887 5930 1 15 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.806 -0.348 25887 5931 1 15 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.608 -0.853 25887 5932 1 15 . 1 1 131 131 ARG H H 131 8.540 8.540 8.413 0.127 25887 5933 1 15 . 1 1 132 132 VAL N N 132 121.349 121.349 122.033 -0.684 25887 5934 1 15 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.359 -0.127 25887 5935 1 15 . 1 1 132 132 VAL C C 132 175.727 175.727 176.074 -0.347 25887 5936 1 15 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.211 0.625 25887 5937 1 15 . 1 1 132 132 VAL CB C 132 32.636 32.636 34.976 -2.340 25887 5938 1 15 . 1 1 132 132 VAL H H 132 8.430 8.430 8.454 -0.024 25887 5939 1 15 . 1 1 133 133 LEU N N 133 124.364 124.364 125.804 -1.440 25887 5940 1 15 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.553 -0.101 25887 5941 1 15 . 1 1 133 133 LEU C C 133 176.753 176.753 177.573 -0.820 25887 5942 1 15 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.917 -2.169 25887 5943 1 15 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.911 -0.038 25887 5944 1 15 . 1 1 133 133 LEU H H 133 8.246 8.246 8.578 -0.332 25887 5945 1 15 . 1 1 134 134 SER N N 134 114.791 114.791 114.705 0.086 25887 5946 1 15 . 1 1 134 134 SER HA H 134 4.490 4.490 4.457 0.033 25887 5947 1 15 . 1 1 134 134 SER C C 134 173.900 173.900 174.519 -0.619 25887 5948 1 15 . 1 1 134 134 SER CA C 134 57.970 57.970 59.981 -2.011 25887 5949 1 15 . 1 1 134 134 SER CB C 134 63.375 63.375 63.350 0.025 25887 5950 1 15 . 1 1 134 134 SER H H 134 8.078 8.078 8.296 -0.218 25887 5951 1 15 . 1 1 135 135 ASN N N 135 119.634 119.634 118.880 0.754 25887 5952 1 15 . 1 1 135 135 ASN HA H 135 4.777 4.777 5.266 -0.489 25887 5953 1 15 . 1 1 135 135 ASN C C 135 175.337 175.337 174.127 1.210 25887 5954 1 15 . 1 1 135 135 ASN CA C 135 53.070 53.070 52.114 0.956 25887 5955 1 15 . 1 1 135 135 ASN CB C 135 38.346 38.346 39.014 -0.668 25887 5956 1 15 . 1 1 135 135 ASN H H 135 8.287 8.287 7.710 0.577 25887 5957 1 15 . 1 1 136 136 THR N N 136 112.097 112.097 117.623 -5.526 25887 5958 1 15 . 1 1 136 136 THR HA H 136 4.311 4.311 4.341 -0.030 25887 5959 1 15 . 1 1 136 136 THR C C 136 174.280 174.280 174.391 -0.111 25887 5960 1 15 . 1 1 136 136 THR CA C 136 62.131 62.131 63.239 -1.109 25887 5961 1 15 . 1 1 136 136 THR CB C 136 69.106 69.106 67.997 1.109 25887 5962 1 15 . 1 1 136 136 THR H H 136 8.085 8.085 7.726 0.359 25887 5963 1 15 . 1 1 137 137 GLU N N 137 120.207 120.207 126.413 -6.206 25887 5964 1 15 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.481 -0.117 25887 5965 1 15 . 1 1 137 137 GLU C C 137 175.296 175.296 176.342 -1.046 25887 5966 1 15 . 1 1 137 137 GLU CA C 137 55.754 55.754 56.896 -1.142 25887 5967 1 15 . 1 1 137 137 GLU CB C 137 29.189 29.189 29.563 -0.374 25887 5968 1 15 . 1 1 137 137 GLU H H 137 8.035 8.035 8.025 0.010 25887 5969 1 15 . 1 1 138 138 ASP N N 138 119.742 119.742 119.868 -0.126 25887 5970 1 15 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.737 -0.132 25887 5971 1 15 . 1 1 138 138 ASP C C 138 174.978 174.978 175.805 -0.827 25887 5972 1 15 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.312 -1.432 25887 5973 1 15 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.730 -1.495 25887 5974 1 15 . 1 1 138 138 ASP H H 138 8.097 8.097 8.540 -0.443 25887 5975 1 15 . 1 1 139 139 LEU N N 139 121.008 121.008 119.794 1.214 25887 5976 1 15 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.850 -0.073 25887 5977 1 15 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.111 -0.100 25887 5978 1 15 . 1 1 139 139 LEU CB C 139 42.693 42.693 43.621 -0.928 25887 5979 1 15 . 1 1 139 139 LEU H H 139 8.021 8.021 7.720 0.301 25887 5980 1 15 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.464 0.170 25887 5981 1 15 . 1 1 140 140 PRO C C 140 175.419 175.419 176.009 -0.590 25887 5982 1 15 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.426 -0.363 25887 5983 1 15 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.787 -0.897 25887 5984 1 15 . 1 1 141 141 LEU N N 141 123.715 123.715 120.481 3.234 25887 5985 1 15 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.449 -0.273 25887 5986 1 15 . 1 1 141 141 LEU C C 141 175.870 175.870 175.328 0.542 25887 5987 1 15 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.830 1.360 25887 5988 1 15 . 1 1 141 141 LEU CB C 141 41.678 41.678 42.715 -1.036 25887 5989 1 15 . 1 1 141 141 LEU H H 141 8.569 8.569 7.776 0.793 25887 5990 1 15 . 1 1 142 142 VAL N N 142 131.573 131.573 126.978 4.595 25887 5991 1 15 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.139 1.011 25887 5992 1 15 . 1 1 142 142 VAL C C 142 174.198 174.198 175.379 -1.181 25887 5993 1 15 . 1 1 142 142 VAL CA C 142 60.583 60.583 62.319 -1.736 25887 5994 1 15 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.304 -0.074 25887 5995 1 15 . 1 1 142 142 VAL H H 142 9.005 9.005 8.275 0.730 25887 5996 1 15 . 1 1 143 143 THR N N 143 121.430 121.430 120.000 1.430 25887 5997 1 15 . 1 1 143 143 THR HA H 143 4.967 4.967 4.568 0.399 25887 5998 1 15 . 1 1 143 143 THR C C 143 172.546 172.546 173.016 -0.470 25887 5999 1 15 . 1 1 143 143 THR CA C 143 61.343 61.343 62.155 -0.812 25887 6000 1 15 . 1 1 143 143 THR CB C 143 69.917 69.917 71.033 -1.116 25887 6001 1 15 . 1 1 143 143 THR H H 143 8.744 8.744 8.339 0.405 25887 6002 1 15 . 1 1 144 144 LYS N N 144 126.310 126.310 127.459 -1.149 25887 6003 1 15 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.583 0.006 25887 6004 1 15 . 1 1 144 144 LYS C C 144 175.839 175.839 175.802 0.037 25887 6005 1 15 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.661 0.006 25887 6006 1 15 . 1 1 144 144 LYS CB C 144 35.577 35.577 36.385 -0.808 25887 6007 1 15 . 1 1 144 144 LYS H H 144 9.397 9.397 8.162 1.235 25887 6008 1 15 . 1 1 145 145 MET N N 145 117.942 117.942 116.638 1.304 25887 6009 1 15 . 1 1 145 145 MET HA H 145 5.058 5.058 5.060 -0.002 25887 6010 1 15 . 1 1 145 145 MET C C 145 174.454 174.454 173.390 1.064 25887 6011 1 15 . 1 1 145 145 MET CA C 145 54.843 54.843 54.853 -0.010 25887 6012 1 15 . 1 1 145 145 MET CB C 145 35.827 35.827 35.931 -0.104 25887 6013 1 15 . 1 1 145 145 MET H H 145 8.729 8.729 8.750 -0.021 25887 6014 1 15 . 1 1 146 146 CYS N N 146 119.031 119.031 118.438 0.593 25887 6015 1 15 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.551 -0.043 25887 6016 1 15 . 1 1 146 146 CYS C C 146 175.029 175.029 174.057 0.972 25887 6017 1 15 . 1 1 146 146 CYS CA C 146 56.669 56.669 58.082 -1.413 25887 6018 1 15 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.899 15.399 25887 6019 1 15 . 1 1 146 146 CYS H H 146 8.642 8.642 8.514 0.128 25887 6020 1 15 . 1 1 147 147 HIS N N 147 120.858 120.858 118.369 2.489 25887 6021 1 15 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.845 -0.202 25887 6022 1 15 . 1 1 147 147 HIS C C 147 173.223 173.223 173.452 -0.229 25887 6023 1 15 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.949 1.652 25887 6024 1 15 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.832 -0.012 25887 6025 1 15 . 1 1 147 147 HIS H H 147 9.423 9.423 9.006 0.417 25887 6026 1 15 . 1 1 148 148 ILE N N 148 125.370 125.370 120.796 4.574 25887 6027 1 15 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.327 0.043 25887 6028 1 15 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.647 0.891 25887 6029 1 15 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.230 -0.134 25887 6030 1 15 . 1 1 148 148 ILE H H 148 8.374 8.374 8.016 0.358 25887 6031 1 15 . 1 1 149 149 GLY N N 149 118.093 118.093 109.527 8.566 25887 6032 1 15 . 1 1 149 149 GLY C C 149 170.853 170.853 172.437 -1.584 25887 6033 1 15 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.390 -1.849 25887 6034 1 15 . 1 1 149 149 GLY H H 149 8.367 8.367 7.337 1.030 25887 6035 1 15 . 1 1 150 150 CYS N N 150 118.529 118.529 122.022 -3.493 25887 6036 1 15 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.977 -0.159 25887 6037 1 15 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.517 -6.252 25887 6038 1 15 . 1 1 150 150 CYS CB C 150 38.752 38.752 27.674 11.078 25887 6039 1 15 . 1 1 150 150 CYS H H 150 8.187 8.187 8.274 -0.087 25887 6040 1 15 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.433 -0.089 25887 6041 1 15 . 1 1 151 151 PRO CA C 151 62.428 62.428 63.076 -0.648 25887 6042 1 15 . 1 1 151 151 PRO CB C 151 31.672 31.672 30.442 1.230 25887 6043 1 15 . 1 1 152 152 ASP N N 152 117.148 117.148 123.416 -6.268 25887 6044 1 15 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.294 0.346 25887 6045 1 15 . 1 1 152 152 ASP C C 152 175.624 175.624 176.412 -0.788 25887 6046 1 15 . 1 1 152 152 ASP CA C 152 51.410 51.410 55.836 -4.426 25887 6047 1 15 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.049 0.642 25887 6048 1 15 . 1 1 152 152 ASP H H 152 7.668 7.668 8.275 -0.607 25887 6049 1 15 . 1 1 153 153 ILE N N 153 119.719 119.719 117.931 1.788 25887 6050 1 15 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.957 -0.044 25887 6051 1 15 . 1 1 153 153 ILE CA C 153 64.996 64.996 60.709 4.287 25887 6052 1 15 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.456 -1.462 25887 6053 1 15 . 1 1 153 153 ILE H H 153 8.327 8.327 8.175 0.152 25887 6054 1 15 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.331 0.033 25887 6055 1 15 . 1 1 154 154 PRO C C 154 178.333 178.333 178.145 0.188 25887 6056 1 15 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.561 0.442 25887 6057 1 15 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.930 -1.153 25887 6058 1 15 . 1 1 155 155 SER N N 155 112.667 112.667 114.718 -2.051 25887 6059 1 15 . 1 1 155 155 SER HA H 155 4.303 4.303 4.315 -0.012 25887 6060 1 15 . 1 1 155 155 SER C C 155 175.450 175.450 175.742 -0.292 25887 6061 1 15 . 1 1 155 155 SER CA C 155 60.312 60.312 60.204 0.108 25887 6062 1 15 . 1 1 155 155 SER CB C 155 62.816 62.816 62.988 -0.172 25887 6063 1 15 . 1 1 155 155 SER H H 155 7.883 7.883 8.200 -0.317 25887 6064 1 15 . 1 1 156 156 LEU N N 156 120.903 120.903 117.413 3.490 25887 6065 1 15 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.336 -0.031 25887 6066 1 15 . 1 1 156 156 LEU C C 156 177.974 177.974 177.137 0.837 25887 6067 1 15 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.156 -0.640 25887 6068 1 15 . 1 1 156 156 LEU CB C 156 42.080 42.080 41.951 0.129 25887 6069 1 15 . 1 1 156 156 LEU H H 156 7.770 7.770 7.496 0.274 25887 6070 1 15 . 1 1 157 157 GLY N N 157 105.004 105.004 108.090 -3.086 25887 6071 1 15 . 1 1 157 157 GLY C C 157 174.321 174.321 173.599 0.722 25887 6072 1 15 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.512 0.675 25887 6073 1 15 . 1 1 157 157 GLY H H 157 7.666 7.666 7.574 0.092 25887 6074 1 15 . 1 1 158 158 LEU N N 158 119.534 119.534 120.045 -0.511 25887 6075 1 15 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.634 -0.102 25887 6076 1 15 . 1 1 158 158 LEU C C 158 176.712 176.712 175.920 0.792 25887 6077 1 15 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.429 -1.669 25887 6078 1 15 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.726 0.035 25887 6079 1 15 . 1 1 158 158 LEU H H 158 8.203 8.203 8.352 -0.149 25887 6080 1 15 . 1 1 159 159 GLY N N 159 108.700 108.700 107.279 1.421 25887 6081 1 15 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.337 -0.921 25887 6082 1 15 . 1 1 159 159 GLY H H 159 8.055 8.055 7.791 0.264 25887 6083 1 15 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.393 -0.017 25887 6084 1 15 . 1 1 160 160 PRO C C 160 177.112 177.112 176.872 0.240 25887 6085 1 15 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.168 -0.857 25887 6086 1 15 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.077 -0.515 25887 6087 1 15 . 1 1 161 161 TYR N N 161 119.287 119.287 118.595 0.692 25887 6088 1 15 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.460 0.358 25887 6089 1 15 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.384 -0.965 25887 6090 1 15 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.097 -1.136 25887 6091 1 15 . 1 1 161 161 TYR H H 161 8.130 8.130 7.702 0.428 25887 6092 1 15 . 1 1 162 162 VAL HA H 162 4.733 4.733 3.775 0.958 25887 6093 1 15 . 1 1 162 162 VAL CA C 162 60.346 60.346 63.361 -3.015 25887 6094 1 15 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.481 5.927 25887 6095 1 15 . 1 1 163 163 SER N N 163 119.428 119.428 124.809 -5.381 25887 6096 1 15 . 1 1 163 163 SER HA H 163 4.788 4.788 4.422 0.366 25887 6097 1 15 . 1 1 163 163 SER C C 163 173.141 173.141 173.083 0.058 25887 6098 1 15 . 1 1 163 163 SER CA C 163 56.672 56.672 58.849 -2.177 25887 6099 1 15 . 1 1 163 163 SER CB C 163 64.650 64.650 63.495 1.155 25887 6100 1 15 . 1 1 163 163 SER H H 163 8.641 8.641 8.322 0.319 25887 6101 1 15 . 1 1 164 164 ILE N N 164 123.448 123.448 123.983 -0.535 25887 6102 1 15 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.682 0.064 25887 6103 1 15 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.202 0.428 25887 6104 1 15 . 1 1 164 164 ILE CB C 164 41.311 41.311 42.403 -1.092 25887 6105 1 15 . 1 1 164 164 ILE H H 164 8.496 8.496 8.346 0.150 25887 6106 1 15 . 1 1 165 165 ALA N N 165 129.783 129.783 128.264 1.519 25887 6107 1 15 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.771 0.099 25887 6108 1 15 . 1 1 165 165 ALA C C 165 176.219 176.219 175.361 0.858 25887 6109 1 15 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.352 -0.572 25887 6110 1 15 . 1 1 165 165 ALA CB C 165 21.348 21.348 21.309 0.039 25887 6111 1 15 . 1 1 165 165 ALA H H 165 8.941 8.941 8.550 0.391 25887 6112 1 15 . 1 1 166 166 CYS N N 166 119.842 119.842 121.247 -1.405 25887 6113 1 15 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.589 -0.037 25887 6114 1 15 . 1 1 166 166 CYS C C 166 172.289 172.289 175.178 -2.889 25887 6115 1 15 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.130 -4.011 25887 6116 1 15 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.286 19.540 25887 6117 1 15 . 1 1 166 166 CYS H H 166 9.049 9.049 8.506 0.543 25887 6118 1 15 . 1 1 167 167 CYS N N 167 118.569 118.569 119.828 -1.259 25887 6119 1 15 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.909 0.327 25887 6120 1 15 . 1 1 167 167 CYS C C 167 173.562 173.562 174.443 -0.881 25887 6121 1 15 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.312 -3.171 25887 6122 1 15 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.681 14.782 25887 6123 1 15 . 1 1 167 167 CYS H H 167 9.297 9.297 9.012 0.285 25887 6124 1 15 . 1 1 168 168 GLN N N 168 118.916 118.916 120.023 -1.107 25887 6125 1 15 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.416 0.414 25887 6126 1 15 . 1 1 168 168 GLN C C 168 174.362 174.362 174.778 -0.416 25887 6127 1 15 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.830 0.155 25887 6128 1 15 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.485 4.203 25887 6129 1 15 . 1 1 168 168 GLN H H 168 9.105 9.105 8.713 0.392 25887 6130 1 15 . 1 1 169 169 THR N N 169 110.926 110.926 112.014 -1.088 25887 6131 1 15 . 1 1 169 169 THR HA H 169 4.813 4.813 4.572 0.241 25887 6132 1 15 . 1 1 169 169 THR C C 169 173.859 173.859 173.876 -0.017 25887 6133 1 15 . 1 1 169 169 THR CA C 169 60.038 60.038 60.160 -0.123 25887 6134 1 15 . 1 1 169 169 THR CB C 169 71.377 71.377 71.895 -0.518 25887 6135 1 15 . 1 1 169 169 THR H H 169 7.540 7.540 7.433 0.107 25887 6136 1 15 . 1 1 170 170 SER N N 170 117.386 117.386 119.038 -1.652 25887 6137 1 15 . 1 1 170 170 SER HA H 170 4.850 4.850 4.317 0.533 25887 6138 1 15 . 1 1 170 170 SER C C 170 175.757 175.757 175.556 0.201 25887 6139 1 15 . 1 1 170 170 SER CA C 170 60.987 60.987 58.766 2.221 25887 6140 1 15 . 1 1 170 170 SER CB C 170 63.104 63.104 63.517 -0.413 25887 6141 1 15 . 1 1 170 170 SER H H 170 8.814 8.814 8.491 0.323 25887 6142 1 15 . 1 1 171 171 LEU N N 171 116.724 116.724 118.888 -2.164 25887 6143 1 15 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.785 -0.125 25887 6144 1 15 . 1 1 171 171 LEU C C 171 176.055 176.055 177.136 -1.081 25887 6145 1 15 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.605 0.420 25887 6146 1 15 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.510 -2.222 25887 6147 1 15 . 1 1 171 171 LEU H H 171 9.570 9.570 8.559 1.011 25887 6148 1 15 . 1 1 172 172 CYS N N 172 113.842 113.842 114.403 -0.561 25887 6149 1 15 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.489 0.125 25887 6150 1 15 . 1 1 172 172 CYS C C 172 174.424 174.424 175.289 -0.865 25887 6151 1 15 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.858 -0.048 25887 6152 1 15 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.905 19.666 25887 6153 1 15 . 1 1 172 172 CYS H H 172 8.221 8.221 7.690 0.531 25887 6154 1 15 . 1 1 173 173 ASN N N 173 121.019 121.019 117.773 3.246 25887 6155 1 15 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.871 -0.114 25887 6156 1 15 . 1 1 173 173 ASN C C 173 174.239 174.239 175.576 -1.337 25887 6157 1 15 . 1 1 173 173 ASN CA C 173 51.765 51.765 52.773 -1.008 25887 6158 1 15 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.296 -2.895 25887 6159 1 15 . 1 1 173 173 ASN H H 173 8.458 8.458 8.046 0.412 25887 6160 1 15 . 1 1 174 174 HIS N N 174 115.973 115.973 120.458 -4.485 25887 6161 1 15 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.512 -0.200 25887 6162 1 15 . 1 1 174 174 HIS C C 174 173.213 173.213 175.391 -2.178 25887 6163 1 15 . 1 1 174 174 HIS CA C 174 53.844 53.844 58.202 -4.358 25887 6164 1 15 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.543 -1.433 25887 6165 1 15 . 1 1 174 174 HIS H H 174 7.170 7.170 7.648 -0.478 25887 6166 1 16 . 1 1 101 101 ILE N N 101 123.543 123.543 117.962 5.581 25887 6167 1 16 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.838 -0.230 25887 6168 1 16 . 1 1 101 101 ILE C C 101 172.659 172.659 173.870 -1.211 25887 6169 1 16 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.000 0.654 25887 6170 1 16 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.592 -0.291 25887 6171 1 16 . 1 1 101 101 ILE H H 101 8.681 8.681 8.299 0.382 25887 6172 1 16 . 1 1 102 102 TRP N N 102 123.817 123.817 123.712 0.105 25887 6173 1 16 . 1 1 102 102 TRP HA H 102 5.098 5.098 4.794 0.304 25887 6174 1 16 . 1 1 102 102 TRP C C 102 175.757 175.757 175.697 0.060 25887 6175 1 16 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.592 -0.813 25887 6176 1 16 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.776 0.430 25887 6177 1 16 . 1 1 102 102 TRP H H 102 8.008 8.008 8.619 -0.611 25887 6178 1 16 . 1 1 103 103 CYS N N 103 116.424 116.424 118.235 -1.811 25887 6179 1 16 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.806 0.289 25887 6180 1 16 . 1 1 103 103 CYS C C 103 175.070 175.070 173.692 1.378 25887 6181 1 16 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.832 -5.821 25887 6182 1 16 . 1 1 103 103 CYS CB C 103 41.944 41.944 32.417 9.527 25887 6183 1 16 . 1 1 103 103 CYS H H 103 8.481 8.481 9.303 -0.822 25887 6184 1 16 . 1 1 104 104 HIS N N 104 123.159 123.159 119.650 3.509 25887 6185 1 16 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.276 -0.680 25887 6186 1 16 . 1 1 104 104 HIS C C 104 176.075 176.075 175.668 0.407 25887 6187 1 16 . 1 1 104 104 HIS CA C 104 58.733 58.733 56.041 2.692 25887 6188 1 16 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.351 0.633 25887 6189 1 16 . 1 1 104 104 HIS H H 104 9.364 9.364 8.756 0.608 25887 6190 1 16 . 1 1 105 105 GLN N N 105 123.570 123.570 125.684 -2.114 25887 6191 1 16 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.798 0.180 25887 6192 1 16 . 1 1 105 105 GLN C C 105 173.623 173.623 174.837 -1.214 25887 6193 1 16 . 1 1 105 105 GLN CA C 105 54.369 54.369 54.922 -0.553 25887 6194 1 16 . 1 1 105 105 GLN CB C 105 30.782 30.782 28.674 2.108 25887 6195 1 16 . 1 1 105 105 GLN H H 105 8.108 8.108 8.144 -0.036 25887 6196 1 16 . 1 1 106 106 CYS N N 106 118.604 118.604 120.877 -2.273 25887 6197 1 16 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.737 0.214 25887 6198 1 16 . 1 1 106 106 CYS C C 106 171.120 171.120 176.192 -5.072 25887 6199 1 16 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.267 -4.360 25887 6200 1 16 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.595 11.044 25887 6201 1 16 . 1 1 106 106 CYS H H 106 8.458 8.458 8.105 0.353 25887 6202 1 16 . 1 1 107 107 THR N N 107 113.541 113.541 120.023 -6.482 25887 6203 1 16 . 1 1 107 107 THR HA H 107 5.500 5.500 4.268 1.232 25887 6204 1 16 . 1 1 107 107 THR C C 107 173.592 173.592 175.351 -1.759 25887 6205 1 16 . 1 1 107 107 THR CA C 107 60.161 60.161 65.871 -5.710 25887 6206 1 16 . 1 1 107 107 THR CB C 107 71.879 71.879 69.507 2.372 25887 6207 1 16 . 1 1 107 107 THR H H 107 8.400 8.400 9.061 -0.661 25887 6208 1 16 . 1 1 108 108 GLY N N 108 110.549 110.549 107.049 3.500 25887 6209 1 16 . 1 1 108 108 GLY C C 108 171.694 171.694 172.940 -1.246 25887 6210 1 16 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.835 0.613 25887 6211 1 16 . 1 1 108 108 GLY H H 108 8.817 8.817 7.557 1.260 25887 6212 1 16 . 1 1 109 109 PHE N N 109 120.830 120.830 119.371 1.459 25887 6213 1 16 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.091 1.033 25887 6214 1 16 . 1 1 109 109 PHE C C 109 177.225 177.225 176.041 1.184 25887 6215 1 16 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.764 -0.326 25887 6216 1 16 . 1 1 109 109 PHE CB C 109 38.408 38.408 35.694 2.714 25887 6217 1 16 . 1 1 109 109 PHE H H 109 8.924 8.924 8.194 0.730 25887 6218 1 16 . 1 1 110 110 GLY N N 110 113.069 113.069 105.910 7.159 25887 6219 1 16 . 1 1 110 110 GLY C C 110 172.546 172.546 174.936 -2.390 25887 6220 1 16 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.242 0.466 25887 6221 1 16 . 1 1 110 110 GLY H H 110 9.442 9.442 7.962 1.480 25887 6222 1 16 . 1 1 111 111 GLY N N 111 106.335 106.335 108.235 -1.900 25887 6223 1 16 . 1 1 111 111 GLY C C 111 171.664 171.664 175.666 -4.002 25887 6224 1 16 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.458 -0.202 25887 6225 1 16 . 1 1 111 111 GLY H H 111 7.095 7.095 7.971 -0.876 25887 6226 1 16 . 1 1 112 112 CYS N N 112 111.804 111.804 117.824 -6.020 25887 6227 1 16 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.371 0.385 25887 6228 1 16 . 1 1 112 112 CYS C C 112 171.027 171.027 173.525 -2.498 25887 6229 1 16 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.109 -1.986 25887 6230 1 16 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.790 14.000 25887 6231 1 16 . 1 1 112 112 CYS H H 112 8.477 8.477 7.814 0.663 25887 6232 1 16 . 1 1 113 113 SER N N 113 116.083 116.083 115.320 0.763 25887 6233 1 16 . 1 1 113 113 SER HA H 113 4.603 4.603 4.463 0.140 25887 6234 1 16 . 1 1 113 113 SER C C 113 174.536 174.536 173.469 1.067 25887 6235 1 16 . 1 1 113 113 SER CA C 113 56.493 56.493 57.680 -1.187 25887 6236 1 16 . 1 1 113 113 SER CB C 113 65.160 65.160 65.443 -0.283 25887 6237 1 16 . 1 1 113 113 SER H H 113 8.693 8.693 7.987 0.706 25887 6238 1 16 . 1 1 114 114 HIS N N 114 126.668 126.668 120.611 6.057 25887 6239 1 16 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.693 -0.125 25887 6240 1 16 . 1 1 114 114 HIS C C 114 172.515 172.515 174.382 -1.867 25887 6241 1 16 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.596 0.291 25887 6242 1 16 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.948 -5.672 25887 6243 1 16 . 1 1 114 114 HIS H H 114 11.587 11.587 8.690 2.897 25887 6244 1 16 . 1 1 115 115 GLY N N 115 119.128 119.128 112.320 6.808 25887 6245 1 16 . 1 1 115 115 GLY C C 115 173.018 173.018 173.976 -0.958 25887 6246 1 16 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.323 1.134 25887 6247 1 16 . 1 1 115 115 GLY H H 115 9.361 9.361 8.610 0.751 25887 6248 1 16 . 1 1 116 116 SER N N 116 118.656 118.656 121.124 -2.468 25887 6249 1 16 . 1 1 116 116 SER HA H 116 4.451 4.451 4.880 -0.429 25887 6250 1 16 . 1 1 116 116 SER C C 116 171.848 171.848 173.282 -1.434 25887 6251 1 16 . 1 1 116 116 SER CA C 116 57.256 57.256 56.954 0.302 25887 6252 1 16 . 1 1 116 116 SER CB C 116 64.697 64.697 66.630 -1.933 25887 6253 1 16 . 1 1 116 116 SER H H 116 8.151 8.151 8.883 -0.732 25887 6254 1 16 . 1 1 117 117 ARG N N 117 124.682 124.682 122.604 2.078 25887 6255 1 16 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.641 -0.687 25887 6256 1 16 . 1 1 117 117 ARG C C 117 176.671 176.671 176.042 0.629 25887 6257 1 16 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.870 0.885 25887 6258 1 16 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.498 0.619 25887 6259 1 16 . 1 1 117 117 ARG H H 117 7.629 7.629 8.272 -0.643 25887 6260 1 16 . 1 1 118 118 CYS N N 118 122.932 122.932 124.575 -1.643 25887 6261 1 16 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.217 0.657 25887 6262 1 16 . 1 1 118 118 CYS C C 118 174.577 174.577 174.775 -0.198 25887 6263 1 16 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.439 -6.443 25887 6264 1 16 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.424 11.873 25887 6265 1 16 . 1 1 118 118 CYS H H 118 7.852 7.852 7.847 0.005 25887 6266 1 16 . 1 1 119 119 LEU N N 119 120.027 120.027 121.689 -1.662 25887 6267 1 16 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.424 -0.123 25887 6268 1 16 . 1 1 119 119 LEU C C 119 178.394 178.394 178.750 -0.356 25887 6269 1 16 . 1 1 119 119 LEU CA C 119 55.216 55.216 53.129 2.087 25887 6270 1 16 . 1 1 119 119 LEU CB C 119 41.691 41.691 43.196 -1.505 25887 6271 1 16 . 1 1 119 119 LEU H H 119 7.980 7.980 8.345 -0.365 25887 6272 1 16 . 1 1 120 120 ARG N N 120 120.159 120.159 123.584 -3.425 25887 6273 1 16 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.852 0.186 25887 6274 1 16 . 1 1 120 120 ARG C C 120 175.624 175.624 176.234 -0.610 25887 6275 1 16 . 1 1 120 120 ARG CA C 120 58.416 58.416 59.123 -0.707 25887 6276 1 16 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.991 -0.003 25887 6277 1 16 . 1 1 120 120 ARG H H 120 8.523 8.523 8.699 -0.176 25887 6278 1 16 . 1 1 121 121 ASP N N 121 115.199 115.199 115.447 -0.248 25887 6279 1 16 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.425 0.105 25887 6280 1 16 . 1 1 121 121 ASP C C 121 175.593 175.593 175.825 -0.232 25887 6281 1 16 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.455 -1.031 25887 6282 1 16 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.159 -0.125 25887 6283 1 16 . 1 1 121 121 ASP H H 121 8.252 8.252 8.189 0.063 25887 6284 1 16 . 1 1 122 122 SER N N 122 114.383 114.383 114.079 0.304 25887 6285 1 16 . 1 1 122 122 SER HA H 122 4.124 4.124 4.388 -0.264 25887 6286 1 16 . 1 1 122 122 SER C C 122 173.264 173.264 174.117 -0.853 25887 6287 1 16 . 1 1 122 122 SER CA C 122 60.703 60.703 58.750 1.953 25887 6288 1 16 . 1 1 122 122 SER CB C 122 62.879 62.879 63.353 -0.474 25887 6289 1 16 . 1 1 122 122 SER H H 122 7.612 7.612 7.387 0.225 25887 6290 1 16 . 1 1 123 123 THR N N 123 111.852 111.852 117.017 -5.165 25887 6291 1 16 . 1 1 123 123 THR HA H 123 4.519 4.519 4.638 -0.119 25887 6292 1 16 . 1 1 123 123 THR C C 123 173.356 173.356 173.462 -0.106 25887 6293 1 16 . 1 1 123 123 THR CA C 123 61.888 61.888 61.529 0.359 25887 6294 1 16 . 1 1 123 123 THR CB C 123 70.830 70.830 70.602 0.228 25887 6295 1 16 . 1 1 123 123 THR H H 123 8.413 8.413 8.259 0.154 25887 6296 1 16 . 1 1 124 124 HIS N N 124 120.615 120.615 118.787 1.828 25887 6297 1 16 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.876 0.280 25887 6298 1 16 . 1 1 124 124 HIS C C 124 174.177 174.177 173.207 0.970 25887 6299 1 16 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.967 1.033 25887 6300 1 16 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.691 1.053 25887 6301 1 16 . 1 1 124 124 HIS H H 124 8.630 8.630 7.863 0.767 25887 6302 1 16 . 1 1 125 125 CYS N N 125 115.755 115.755 121.194 -5.439 25887 6303 1 16 . 1 1 125 125 CYS HA H 125 5.716 5.716 4.694 1.022 25887 6304 1 16 . 1 1 125 125 CYS C C 125 174.906 174.906 173.800 1.106 25887 6305 1 16 . 1 1 125 125 CYS CA C 125 52.172 52.172 59.386 -7.215 25887 6306 1 16 . 1 1 125 125 CYS CB C 125 36.484 36.484 27.324 9.160 25887 6307 1 16 . 1 1 125 125 CYS H H 125 9.102 9.102 8.553 0.549 25887 6308 1 16 . 1 1 126 126 VAL N N 126 121.353 121.353 125.272 -3.919 25887 6309 1 16 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.910 0.289 25887 6310 1 16 . 1 1 126 126 VAL C C 126 176.004 176.004 175.408 0.596 25887 6311 1 16 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.895 -0.340 25887 6312 1 16 . 1 1 126 126 VAL CB C 126 35.605 35.605 34.671 0.934 25887 6313 1 16 . 1 1 126 126 VAL H H 126 9.077 9.077 9.121 -0.044 25887 6314 1 16 . 1 1 127 127 THR N N 127 125.497 125.497 121.946 3.551 25887 6315 1 16 . 1 1 127 127 THR HA H 127 5.192 5.192 4.768 0.424 25887 6316 1 16 . 1 1 127 127 THR C C 127 173.510 173.510 172.819 0.691 25887 6317 1 16 . 1 1 127 127 THR CA C 127 61.909 61.909 62.095 -0.186 25887 6318 1 16 . 1 1 127 127 THR CB C 127 71.018 71.018 71.474 -0.456 25887 6319 1 16 . 1 1 127 127 THR H H 127 9.031 9.031 8.451 0.580 25887 6320 1 16 . 1 1 128 128 THR N N 128 121.196 121.196 116.244 4.952 25887 6321 1 16 . 1 1 128 128 THR HA H 128 5.500 5.500 5.268 0.232 25887 6322 1 16 . 1 1 128 128 THR C C 128 172.228 172.228 172.760 -0.532 25887 6323 1 16 . 1 1 128 128 THR CA C 128 59.004 59.004 59.236 -0.232 25887 6324 1 16 . 1 1 128 128 THR CB C 128 70.306 70.306 72.345 -2.039 25887 6325 1 16 . 1 1 128 128 THR H H 128 9.625 9.625 8.923 0.702 25887 6326 1 16 . 1 1 129 129 ALA N N 129 124.169 124.169 122.836 1.333 25887 6327 1 16 . 1 1 129 129 ALA HA H 129 5.500 5.500 4.624 0.876 25887 6328 1 16 . 1 1 129 129 ALA C C 129 176.424 176.424 175.443 0.981 25887 6329 1 16 . 1 1 129 129 ALA CA C 129 50.495 50.495 52.075 -1.581 25887 6330 1 16 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.644 -0.296 25887 6331 1 16 . 1 1 129 129 ALA H H 129 8.539 8.539 7.864 0.675 25887 6332 1 16 . 1 1 130 130 THR N N 130 116.687 116.687 112.889 3.798 25887 6333 1 16 . 1 1 130 130 THR HA H 130 4.890 4.890 4.568 0.322 25887 6334 1 16 . 1 1 130 130 THR C C 130 172.854 172.854 174.308 -1.454 25887 6335 1 16 . 1 1 130 130 THR CA C 130 60.678 60.678 60.707 -0.029 25887 6336 1 16 . 1 1 130 130 THR CB C 130 70.352 70.352 70.577 -0.225 25887 6337 1 16 . 1 1 130 130 THR H H 130 8.636 8.636 8.858 -0.222 25887 6338 1 16 . 1 1 131 131 ARG N N 131 124.260 124.260 126.764 -2.504 25887 6339 1 16 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.324 0.326 25887 6340 1 16 . 1 1 131 131 ARG C C 131 175.603 175.603 175.464 0.139 25887 6341 1 16 . 1 1 131 131 ARG CA C 131 55.458 55.458 57.188 -1.730 25887 6342 1 16 . 1 1 131 131 ARG CB C 131 30.755 30.755 30.878 -0.123 25887 6343 1 16 . 1 1 131 131 ARG H H 131 8.540 8.540 8.590 -0.050 25887 6344 1 16 . 1 1 132 132 VAL N N 132 121.349 121.349 122.839 -1.490 25887 6345 1 16 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.314 -0.082 25887 6346 1 16 . 1 1 132 132 VAL C C 132 175.727 175.727 175.451 0.276 25887 6347 1 16 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.723 0.112 25887 6348 1 16 . 1 1 132 132 VAL CB C 132 32.636 32.636 33.551 -0.915 25887 6349 1 16 . 1 1 132 132 VAL H H 132 8.430 8.430 8.269 0.161 25887 6350 1 16 . 1 1 133 133 LEU N N 133 124.364 124.364 126.365 -2.001 25887 6351 1 16 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.229 0.223 25887 6352 1 16 . 1 1 133 133 LEU C C 133 176.753 176.753 176.994 -0.241 25887 6353 1 16 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.134 -1.386 25887 6354 1 16 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.349 -0.476 25887 6355 1 16 . 1 1 133 133 LEU H H 133 8.246 8.246 8.346 -0.100 25887 6356 1 16 . 1 1 134 134 SER N N 134 114.791 114.791 115.720 -0.929 25887 6357 1 16 . 1 1 134 134 SER HA H 134 4.490 4.490 4.385 0.105 25887 6358 1 16 . 1 1 134 134 SER C C 134 173.900 173.900 174.519 -0.619 25887 6359 1 16 . 1 1 134 134 SER CA C 134 57.970 57.970 59.303 -1.333 25887 6360 1 16 . 1 1 134 134 SER CB C 134 63.375 63.375 63.543 -0.168 25887 6361 1 16 . 1 1 134 134 SER H H 134 8.078 8.078 7.830 0.248 25887 6362 1 16 . 1 1 135 135 ASN N N 135 119.634 119.634 122.116 -2.482 25887 6363 1 16 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.824 -0.047 25887 6364 1 16 . 1 1 135 135 ASN C C 135 175.337 175.337 175.467 -0.130 25887 6365 1 16 . 1 1 135 135 ASN CA C 135 53.070 53.070 53.110 -0.040 25887 6366 1 16 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.779 -0.433 25887 6367 1 16 . 1 1 135 135 ASN H H 135 8.287 8.287 8.680 -0.393 25887 6368 1 16 . 1 1 136 136 THR N N 136 112.097 112.097 114.918 -2.821 25887 6369 1 16 . 1 1 136 136 THR HA H 136 4.311 4.311 4.282 0.029 25887 6370 1 16 . 1 1 136 136 THR C C 136 174.280 174.280 175.903 -1.623 25887 6371 1 16 . 1 1 136 136 THR CA C 136 62.131 62.131 62.021 0.110 25887 6372 1 16 . 1 1 136 136 THR CB C 136 69.106 69.106 69.563 -0.457 25887 6373 1 16 . 1 1 136 136 THR H H 136 8.085 8.085 7.408 0.677 25887 6374 1 16 . 1 1 137 137 GLU N N 137 120.207 120.207 120.395 -0.188 25887 6375 1 16 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.160 0.204 25887 6376 1 16 . 1 1 137 137 GLU C C 137 175.296 175.296 176.561 -1.265 25887 6377 1 16 . 1 1 137 137 GLU CA C 137 55.754 55.754 58.155 -2.401 25887 6378 1 16 . 1 1 137 137 GLU CB C 137 29.189 29.189 28.975 0.214 25887 6379 1 16 . 1 1 137 137 GLU H H 137 8.035 8.035 8.656 -0.621 25887 6380 1 16 . 1 1 138 138 ASP N N 138 119.742 119.742 118.230 1.512 25887 6381 1 16 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.499 0.106 25887 6382 1 16 . 1 1 138 138 ASP C C 138 174.978 174.978 176.285 -1.307 25887 6383 1 16 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.285 -1.405 25887 6384 1 16 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.108 -0.873 25887 6385 1 16 . 1 1 138 138 ASP H H 138 8.097 8.097 8.040 0.057 25887 6386 1 16 . 1 1 139 139 LEU N N 139 121.008 121.008 116.326 4.682 25887 6387 1 16 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.064 0.713 25887 6388 1 16 . 1 1 139 139 LEU CA C 139 52.011 52.011 54.363 -2.352 25887 6389 1 16 . 1 1 139 139 LEU CB C 139 42.693 42.693 40.897 1.796 25887 6390 1 16 . 1 1 139 139 LEU H H 139 8.021 8.021 7.498 0.523 25887 6391 1 16 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.407 0.227 25887 6392 1 16 . 1 1 140 140 PRO C C 140 175.419 175.419 175.295 0.124 25887 6393 1 16 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.137 -0.074 25887 6394 1 16 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.799 -0.909 25887 6395 1 16 . 1 1 141 141 LEU N N 141 123.715 123.715 121.133 2.582 25887 6396 1 16 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.494 -0.318 25887 6397 1 16 . 1 1 141 141 LEU C C 141 175.870 175.870 174.849 1.021 25887 6398 1 16 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.357 1.833 25887 6399 1 16 . 1 1 141 141 LEU CB C 141 41.678 41.678 44.340 -2.663 25887 6400 1 16 . 1 1 141 141 LEU H H 141 8.569 8.569 7.794 0.775 25887 6401 1 16 . 1 1 142 142 VAL N N 142 131.573 131.573 124.554 7.019 25887 6402 1 16 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.488 0.662 25887 6403 1 16 . 1 1 142 142 VAL C C 142 174.198 174.198 174.766 -0.568 25887 6404 1 16 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.637 -0.054 25887 6405 1 16 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.623 -0.394 25887 6406 1 16 . 1 1 142 142 VAL H H 142 9.005 9.005 8.339 0.666 25887 6407 1 16 . 1 1 143 143 THR N N 143 121.430 121.430 124.098 -2.668 25887 6408 1 16 . 1 1 143 143 THR HA H 143 4.967 4.967 5.111 -0.144 25887 6409 1 16 . 1 1 143 143 THR C C 143 172.546 172.546 173.978 -1.432 25887 6410 1 16 . 1 1 143 143 THR CA C 143 61.343 61.343 61.590 -0.247 25887 6411 1 16 . 1 1 143 143 THR CB C 143 69.917 69.917 70.555 -0.637 25887 6412 1 16 . 1 1 143 143 THR H H 143 8.744 8.744 8.400 0.344 25887 6413 1 16 . 1 1 144 144 LYS N N 144 126.310 126.310 127.500 -1.190 25887 6414 1 16 . 1 1 144 144 LYS HA H 144 5.589 5.589 4.790 0.799 25887 6415 1 16 . 1 1 144 144 LYS C C 144 175.839 175.839 175.425 0.414 25887 6416 1 16 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.525 -0.858 25887 6417 1 16 . 1 1 144 144 LYS CB C 144 35.577 35.577 36.326 -0.749 25887 6418 1 16 . 1 1 144 144 LYS H H 144 9.397 9.397 8.359 1.038 25887 6419 1 16 . 1 1 145 145 MET N N 145 117.942 117.942 118.242 -0.300 25887 6420 1 16 . 1 1 145 145 MET HA H 145 5.058 5.058 4.966 0.092 25887 6421 1 16 . 1 1 145 145 MET C C 145 174.454 174.454 173.279 1.175 25887 6422 1 16 . 1 1 145 145 MET CA C 145 54.843 54.843 54.323 0.520 25887 6423 1 16 . 1 1 145 145 MET CB C 145 35.827 35.827 34.545 1.282 25887 6424 1 16 . 1 1 145 145 MET H H 145 8.729 8.729 8.736 -0.007 25887 6425 1 16 . 1 1 146 146 CYS N N 146 119.031 119.031 116.937 2.094 25887 6426 1 16 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.440 0.068 25887 6427 1 16 . 1 1 146 146 CYS C C 146 175.029 175.029 174.382 0.647 25887 6428 1 16 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.446 -0.777 25887 6429 1 16 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.951 15.347 25887 6430 1 16 . 1 1 146 146 CYS H H 146 8.642 8.642 8.449 0.193 25887 6431 1 16 . 1 1 147 147 HIS N N 147 120.858 120.858 118.029 2.829 25887 6432 1 16 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.772 -0.129 25887 6433 1 16 . 1 1 147 147 HIS C C 147 173.223 173.223 174.780 -1.557 25887 6434 1 16 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.279 1.321 25887 6435 1 16 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.408 0.412 25887 6436 1 16 . 1 1 147 147 HIS H H 147 9.423 9.423 8.607 0.816 25887 6437 1 16 . 1 1 148 148 ILE N N 148 125.370 125.370 122.835 2.535 25887 6438 1 16 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.288 0.082 25887 6439 1 16 . 1 1 148 148 ILE CA C 148 62.538 62.538 62.295 0.243 25887 6440 1 16 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.447 -0.351 25887 6441 1 16 . 1 1 148 148 ILE H H 148 8.374 8.374 8.407 -0.033 25887 6442 1 16 . 1 1 149 149 GLY N N 149 118.093 118.093 109.522 8.571 25887 6443 1 16 . 1 1 149 149 GLY C C 149 170.853 170.853 173.817 -2.964 25887 6444 1 16 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.766 -1.225 25887 6445 1 16 . 1 1 149 149 GLY H H 149 8.367 8.367 7.582 0.785 25887 6446 1 16 . 1 1 150 150 CYS N N 150 118.529 118.529 120.397 -1.868 25887 6447 1 16 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.183 0.635 25887 6448 1 16 . 1 1 150 150 CYS CA C 150 50.265 50.265 57.423 -7.158 25887 6449 1 16 . 1 1 150 150 CYS CB C 150 38.752 38.752 25.379 13.373 25887 6450 1 16 . 1 1 150 150 CYS H H 150 8.187 8.187 8.355 -0.168 25887 6451 1 16 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.477 -0.133 25887 6452 1 16 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.529 -0.101 25887 6453 1 16 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.355 -0.683 25887 6454 1 16 . 1 1 152 152 ASP N N 152 117.148 117.148 118.724 -1.576 25887 6455 1 16 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.438 0.202 25887 6456 1 16 . 1 1 152 152 ASP C C 152 175.624 175.624 176.502 -0.878 25887 6457 1 16 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.373 -2.963 25887 6458 1 16 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.946 0.745 25887 6459 1 16 . 1 1 152 152 ASP H H 152 7.668 7.668 8.172 -0.504 25887 6460 1 16 . 1 1 153 153 ILE N N 153 119.719 119.719 121.058 -1.339 25887 6461 1 16 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.955 -0.042 25887 6462 1 16 . 1 1 153 153 ILE CA C 153 64.996 64.996 60.889 4.107 25887 6463 1 16 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.038 -1.044 25887 6464 1 16 . 1 1 153 153 ILE H H 153 8.327 8.327 8.012 0.315 25887 6465 1 16 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.425 -0.061 25887 6466 1 16 . 1 1 154 154 PRO C C 154 178.333 178.333 178.153 0.180 25887 6467 1 16 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.532 0.471 25887 6468 1 16 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.934 -1.157 25887 6469 1 16 . 1 1 155 155 SER N N 155 112.667 112.667 114.431 -1.764 25887 6470 1 16 . 1 1 155 155 SER HA H 155 4.303 4.303 4.290 0.013 25887 6471 1 16 . 1 1 155 155 SER C C 155 175.450 175.450 175.791 -0.341 25887 6472 1 16 . 1 1 155 155 SER CA C 155 60.312 60.312 59.926 0.386 25887 6473 1 16 . 1 1 155 155 SER CB C 155 62.816 62.816 62.972 -0.156 25887 6474 1 16 . 1 1 155 155 SER H H 155 7.883 7.883 8.119 -0.236 25887 6475 1 16 . 1 1 156 156 LEU N N 156 120.903 120.903 120.770 0.133 25887 6476 1 16 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.227 0.078 25887 6477 1 16 . 1 1 156 156 LEU C C 156 177.974 177.974 177.448 0.526 25887 6478 1 16 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.727 -0.211 25887 6479 1 16 . 1 1 156 156 LEU CB C 156 42.080 42.080 41.355 0.725 25887 6480 1 16 . 1 1 156 156 LEU H H 156 7.770 7.770 7.527 0.243 25887 6481 1 16 . 1 1 157 157 GLY N N 157 105.004 105.004 105.809 -0.805 25887 6482 1 16 . 1 1 157 157 GLY C C 157 174.321 174.321 174.187 0.134 25887 6483 1 16 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.925 1.262 25887 6484 1 16 . 1 1 157 157 GLY H H 157 7.666 7.666 7.616 0.050 25887 6485 1 16 . 1 1 158 158 LEU N N 158 119.534 119.534 120.439 -0.905 25887 6486 1 16 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.700 -0.168 25887 6487 1 16 . 1 1 158 158 LEU C C 158 176.712 176.712 177.834 -1.122 25887 6488 1 16 . 1 1 158 158 LEU CA C 158 53.760 53.760 54.580 -0.820 25887 6489 1 16 . 1 1 158 158 LEU CB C 158 42.761 42.761 41.934 0.828 25887 6490 1 16 . 1 1 158 158 LEU H H 158 8.203 8.203 8.228 -0.025 25887 6491 1 16 . 1 1 159 159 GLY N N 159 108.700 108.700 106.995 1.705 25887 6492 1 16 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.478 -1.062 25887 6493 1 16 . 1 1 159 159 GLY H H 159 8.055 8.055 8.389 -0.334 25887 6494 1 16 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.486 -0.110 25887 6495 1 16 . 1 1 160 160 PRO C C 160 177.112 177.112 176.235 0.877 25887 6496 1 16 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.022 -0.711 25887 6497 1 16 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.254 -0.692 25887 6498 1 16 . 1 1 161 161 TYR N N 161 119.287 119.287 113.416 5.871 25887 6499 1 16 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.842 -0.024 25887 6500 1 16 . 1 1 161 161 TYR CA C 161 56.419 56.419 56.854 -0.435 25887 6501 1 16 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.652 -1.691 25887 6502 1 16 . 1 1 161 161 TYR H H 161 8.130 8.130 7.456 0.674 25887 6503 1 16 . 1 1 162 162 VAL HA H 162 4.733 4.733 3.898 0.835 25887 6504 1 16 . 1 1 162 162 VAL CA C 162 60.346 60.346 63.038 -2.692 25887 6505 1 16 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.564 5.844 25887 6506 1 16 . 1 1 163 163 SER N N 163 119.428 119.428 115.060 4.368 25887 6507 1 16 . 1 1 163 163 SER HA H 163 4.788 4.788 4.851 -0.063 25887 6508 1 16 . 1 1 163 163 SER C C 163 173.141 173.141 172.658 0.483 25887 6509 1 16 . 1 1 163 163 SER CA C 163 56.672 56.672 59.044 -2.372 25887 6510 1 16 . 1 1 163 163 SER CB C 163 64.650 64.650 64.300 0.350 25887 6511 1 16 . 1 1 163 163 SER H H 163 8.641 8.641 8.097 0.544 25887 6512 1 16 . 1 1 164 164 ILE N N 164 123.448 123.448 125.372 -1.924 25887 6513 1 16 . 1 1 164 164 ILE HA H 164 4.746 4.746 5.119 -0.373 25887 6514 1 16 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.069 0.560 25887 6515 1 16 . 1 1 164 164 ILE CB C 164 41.311 41.311 42.120 -0.809 25887 6516 1 16 . 1 1 164 164 ILE H H 164 8.496 8.496 8.455 0.041 25887 6517 1 16 . 1 1 165 165 ALA N N 165 129.783 129.783 128.567 1.216 25887 6518 1 16 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.752 0.118 25887 6519 1 16 . 1 1 165 165 ALA C C 165 176.219 176.219 175.605 0.614 25887 6520 1 16 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.926 -1.146 25887 6521 1 16 . 1 1 165 165 ALA CB C 165 21.348 21.348 21.104 0.244 25887 6522 1 16 . 1 1 165 165 ALA H H 165 8.941 8.941 8.709 0.232 25887 6523 1 16 . 1 1 166 166 CYS N N 166 119.842 119.842 121.730 -1.888 25887 6524 1 16 . 1 1 166 166 CYS HA H 166 5.552 5.552 4.798 0.754 25887 6525 1 16 . 1 1 166 166 CYS C C 166 172.289 172.289 174.911 -2.622 25887 6526 1 16 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.979 -4.860 25887 6527 1 16 . 1 1 166 166 CYS CB C 166 48.826 48.826 26.562 22.264 25887 6528 1 16 . 1 1 166 166 CYS H H 166 9.049 9.049 8.517 0.532 25887 6529 1 16 . 1 1 167 167 CYS N N 167 118.569 118.569 123.072 -4.503 25887 6530 1 16 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.905 0.331 25887 6531 1 16 . 1 1 167 167 CYS C C 167 173.562 173.562 173.696 -0.134 25887 6532 1 16 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.166 -3.025 25887 6533 1 16 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.519 14.944 25887 6534 1 16 . 1 1 167 167 CYS H H 167 9.297 9.297 9.071 0.226 25887 6535 1 16 . 1 1 168 168 GLN N N 168 118.916 118.916 121.383 -2.467 25887 6536 1 16 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.314 0.516 25887 6537 1 16 . 1 1 168 168 GLN C C 168 174.362 174.362 174.515 -0.153 25887 6538 1 16 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.353 0.632 25887 6539 1 16 . 1 1 168 168 GLN CB C 168 31.688 31.688 26.521 5.167 25887 6540 1 16 . 1 1 168 168 GLN H H 168 9.105 9.105 8.703 0.402 25887 6541 1 16 . 1 1 169 169 THR N N 169 110.926 110.926 112.614 -1.688 25887 6542 1 16 . 1 1 169 169 THR HA H 169 4.813 4.813 4.574 0.239 25887 6543 1 16 . 1 1 169 169 THR C C 169 173.859 173.859 174.186 -0.327 25887 6544 1 16 . 1 1 169 169 THR CA C 169 60.038 60.038 59.750 0.288 25887 6545 1 16 . 1 1 169 169 THR CB C 169 71.377 71.377 71.569 -0.192 25887 6546 1 16 . 1 1 169 169 THR H H 169 7.540 7.540 7.487 0.053 25887 6547 1 16 . 1 1 170 170 SER N N 170 117.386 117.386 120.061 -2.675 25887 6548 1 16 . 1 1 170 170 SER HA H 170 4.850 4.850 4.317 0.532 25887 6549 1 16 . 1 1 170 170 SER C C 170 175.757 175.757 175.319 0.438 25887 6550 1 16 . 1 1 170 170 SER CA C 170 60.987 60.987 59.258 1.729 25887 6551 1 16 . 1 1 170 170 SER CB C 170 63.104 63.104 63.138 -0.034 25887 6552 1 16 . 1 1 170 170 SER H H 170 8.814 8.814 8.640 0.174 25887 6553 1 16 . 1 1 171 171 LEU N N 171 116.724 116.724 119.890 -3.166 25887 6554 1 16 . 1 1 171 171 LEU HA H 171 3.660 3.660 4.019 -0.359 25887 6555 1 16 . 1 1 171 171 LEU C C 171 176.055 176.055 177.490 -1.435 25887 6556 1 16 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.133 0.892 25887 6557 1 16 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.861 -1.573 25887 6558 1 16 . 1 1 171 171 LEU H H 171 9.570 9.570 8.885 0.685 25887 6559 1 16 . 1 1 172 172 CYS N N 172 113.842 113.842 113.354 0.488 25887 6560 1 16 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.505 0.109 25887 6561 1 16 . 1 1 172 172 CYS C C 172 174.424 174.424 175.200 -0.776 25887 6562 1 16 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.491 0.319 25887 6563 1 16 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.067 19.504 25887 6564 1 16 . 1 1 172 172 CYS H H 172 8.221 8.221 7.876 0.345 25887 6565 1 16 . 1 1 173 173 ASN N N 173 121.019 121.019 118.033 2.986 25887 6566 1 16 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.697 0.060 25887 6567 1 16 . 1 1 173 173 ASN C C 173 174.239 174.239 175.357 -1.118 25887 6568 1 16 . 1 1 173 173 ASN CA C 173 51.765 51.765 54.057 -2.292 25887 6569 1 16 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.741 -3.340 25887 6570 1 16 . 1 1 173 173 ASN H H 173 8.458 8.458 8.108 0.350 25887 6571 1 16 . 1 1 174 174 HIS N N 174 115.973 115.973 118.124 -2.151 25887 6572 1 16 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.536 -0.224 25887 6573 1 16 . 1 1 174 174 HIS C C 174 173.213 173.213 174.821 -1.608 25887 6574 1 16 . 1 1 174 174 HIS CA C 174 53.844 53.844 54.354 -0.510 25887 6575 1 16 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.229 -1.119 25887 6576 1 16 . 1 1 174 174 HIS H H 174 7.170 7.170 7.264 -0.094 25887 6577 1 17 . 1 1 101 101 ILE N N 101 123.543 123.543 118.356 5.187 25887 6578 1 17 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.992 -0.384 25887 6579 1 17 . 1 1 101 101 ILE C C 101 172.659 172.659 173.703 -1.044 25887 6580 1 17 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.023 0.631 25887 6581 1 17 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.589 -0.288 25887 6582 1 17 . 1 1 101 101 ILE H H 101 8.681 8.681 8.265 0.416 25887 6583 1 17 . 1 1 102 102 TRP N N 102 123.817 123.817 121.316 2.501 25887 6584 1 17 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.214 -0.116 25887 6585 1 17 . 1 1 102 102 TRP C C 102 175.757 175.757 175.924 -0.167 25887 6586 1 17 . 1 1 102 102 TRP CA C 102 55.779 55.779 55.840 -0.062 25887 6587 1 17 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.105 0.101 25887 6588 1 17 . 1 1 102 102 TRP H H 102 8.008 8.008 8.515 -0.507 25887 6589 1 17 . 1 1 103 103 CYS N N 103 116.424 116.424 119.718 -3.294 25887 6590 1 17 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.811 0.284 25887 6591 1 17 . 1 1 103 103 CYS C C 103 175.070 175.070 173.073 1.997 25887 6592 1 17 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.477 -5.466 25887 6593 1 17 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.464 10.480 25887 6594 1 17 . 1 1 103 103 CYS H H 103 8.481 8.481 8.957 -0.476 25887 6595 1 17 . 1 1 104 104 HIS N N 104 123.159 123.159 118.561 4.598 25887 6596 1 17 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.422 -0.826 25887 6597 1 17 . 1 1 104 104 HIS C C 104 176.075 176.075 175.345 0.730 25887 6598 1 17 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.708 3.025 25887 6599 1 17 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.816 0.168 25887 6600 1 17 . 1 1 104 104 HIS H H 104 9.364 9.364 8.641 0.723 25887 6601 1 17 . 1 1 105 105 GLN N N 105 123.570 123.570 120.602 2.968 25887 6602 1 17 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.748 0.230 25887 6603 1 17 . 1 1 105 105 GLN C C 105 173.623 173.623 174.981 -1.358 25887 6604 1 17 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.365 -0.996 25887 6605 1 17 . 1 1 105 105 GLN CB C 105 30.782 30.782 30.012 0.770 25887 6606 1 17 . 1 1 105 105 GLN H H 105 8.108 8.108 8.449 -0.341 25887 6607 1 17 . 1 1 106 106 CYS N N 106 118.604 118.604 119.948 -1.344 25887 6608 1 17 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.798 0.153 25887 6609 1 17 . 1 1 106 106 CYS C C 106 171.120 171.120 174.865 -3.745 25887 6610 1 17 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.170 -4.263 25887 6611 1 17 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.701 10.938 25887 6612 1 17 . 1 1 106 106 CYS H H 106 8.458 8.458 8.236 0.222 25887 6613 1 17 . 1 1 107 107 THR N N 107 113.541 113.541 117.785 -4.244 25887 6614 1 17 . 1 1 107 107 THR HA H 107 5.500 5.500 4.270 1.230 25887 6615 1 17 . 1 1 107 107 THR C C 107 173.592 173.592 174.177 -0.585 25887 6616 1 17 . 1 1 107 107 THR CA C 107 60.161 60.161 62.783 -2.622 25887 6617 1 17 . 1 1 107 107 THR CB C 107 71.879 71.879 69.717 2.162 25887 6618 1 17 . 1 1 107 107 THR H H 107 8.400 8.400 8.540 -0.140 25887 6619 1 17 . 1 1 108 108 GLY N N 108 110.549 110.549 107.500 3.049 25887 6620 1 17 . 1 1 108 108 GLY C C 108 171.694 171.694 173.168 -1.474 25887 6621 1 17 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.622 0.826 25887 6622 1 17 . 1 1 108 108 GLY H H 108 8.817 8.817 7.950 0.867 25887 6623 1 17 . 1 1 109 109 PHE N N 109 120.830 120.830 123.489 -2.659 25887 6624 1 17 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.665 0.459 25887 6625 1 17 . 1 1 109 109 PHE C C 109 177.225 177.225 175.198 2.027 25887 6626 1 17 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.760 0.678 25887 6627 1 17 . 1 1 109 109 PHE CB C 109 38.408 38.408 40.359 -1.951 25887 6628 1 17 . 1 1 109 109 PHE H H 109 8.924 8.924 8.396 0.528 25887 6629 1 17 . 1 1 110 110 GLY N N 110 113.069 113.069 106.771 6.298 25887 6630 1 17 . 1 1 110 110 GLY C C 110 172.546 172.546 174.675 -2.129 25887 6631 1 17 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.526 0.182 25887 6632 1 17 . 1 1 110 110 GLY H H 110 9.442 9.442 8.324 1.118 25887 6633 1 17 . 1 1 111 111 GLY N N 111 106.335 106.335 108.141 -1.806 25887 6634 1 17 . 1 1 111 111 GLY C C 111 171.664 171.664 175.120 -3.456 25887 6635 1 17 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.598 -0.342 25887 6636 1 17 . 1 1 111 111 GLY H H 111 7.095 7.095 8.030 -0.935 25887 6637 1 17 . 1 1 112 112 CYS N N 112 111.804 111.804 120.417 -8.613 25887 6638 1 17 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.482 0.274 25887 6639 1 17 . 1 1 112 112 CYS C C 112 171.027 171.027 174.353 -3.326 25887 6640 1 17 . 1 1 112 112 CYS CA C 112 56.123 56.123 59.199 -3.076 25887 6641 1 17 . 1 1 112 112 CYS CB C 112 41.790 41.790 28.270 13.520 25887 6642 1 17 . 1 1 112 112 CYS H H 112 8.477 8.477 8.384 0.093 25887 6643 1 17 . 1 1 113 113 SER N N 113 116.083 116.083 119.882 -3.799 25887 6644 1 17 . 1 1 113 113 SER HA H 113 4.603 4.603 4.211 0.392 25887 6645 1 17 . 1 1 113 113 SER C C 113 174.536 174.536 172.849 1.687 25887 6646 1 17 . 1 1 113 113 SER CA C 113 56.493 56.493 57.771 -1.278 25887 6647 1 17 . 1 1 113 113 SER CB C 113 65.160 65.160 64.342 0.818 25887 6648 1 17 . 1 1 113 113 SER H H 113 8.693 8.693 8.563 0.130 25887 6649 1 17 . 1 1 114 114 HIS N N 114 126.668 126.668 124.789 1.879 25887 6650 1 17 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.702 -0.134 25887 6651 1 17 . 1 1 114 114 HIS C C 114 172.515 172.515 173.877 -1.362 25887 6652 1 17 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.895 -0.008 25887 6653 1 17 . 1 1 114 114 HIS CB C 114 27.276 27.276 31.987 -4.711 25887 6654 1 17 . 1 1 114 114 HIS H H 114 11.587 11.587 7.812 3.775 25887 6655 1 17 . 1 1 115 115 GLY N N 115 119.128 119.128 113.432 5.696 25887 6656 1 17 . 1 1 115 115 GLY C C 115 173.018 173.018 173.418 -0.400 25887 6657 1 17 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.283 1.174 25887 6658 1 17 . 1 1 115 115 GLY H H 115 9.361 9.361 8.546 0.815 25887 6659 1 17 . 1 1 116 116 SER N N 116 118.656 118.656 119.072 -0.416 25887 6660 1 17 . 1 1 116 116 SER HA H 116 4.451 4.451 4.768 -0.317 25887 6661 1 17 . 1 1 116 116 SER C C 116 171.848 171.848 173.296 -1.448 25887 6662 1 17 . 1 1 116 116 SER CA C 116 57.256 57.256 56.090 1.166 25887 6663 1 17 . 1 1 116 116 SER CB C 116 64.697 64.697 65.048 -0.351 25887 6664 1 17 . 1 1 116 116 SER H H 116 8.151 8.151 8.996 -0.845 25887 6665 1 17 . 1 1 117 117 ARG N N 117 124.682 124.682 121.718 2.964 25887 6666 1 17 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.440 -0.486 25887 6667 1 17 . 1 1 117 117 ARG C C 117 176.671 176.671 175.933 0.738 25887 6668 1 17 . 1 1 117 117 ARG CA C 117 56.755 56.755 56.563 0.192 25887 6669 1 17 . 1 1 117 117 ARG CB C 117 30.117 30.117 30.206 -0.089 25887 6670 1 17 . 1 1 117 117 ARG H H 117 7.629 7.629 8.040 -0.411 25887 6671 1 17 . 1 1 118 118 CYS N N 118 122.932 122.932 123.127 -0.195 25887 6672 1 17 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.344 0.530 25887 6673 1 17 . 1 1 118 118 CYS C C 118 174.577 174.577 174.770 -0.193 25887 6674 1 17 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.158 -6.162 25887 6675 1 17 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.875 11.422 25887 6676 1 17 . 1 1 118 118 CYS H H 118 7.852 7.852 7.806 0.046 25887 6677 1 17 . 1 1 119 119 LEU N N 119 120.027 120.027 123.512 -3.485 25887 6678 1 17 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.149 0.152 25887 6679 1 17 . 1 1 119 119 LEU C C 119 178.394 178.394 178.674 -0.280 25887 6680 1 17 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.477 0.739 25887 6681 1 17 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.553 -0.862 25887 6682 1 17 . 1 1 119 119 LEU H H 119 7.980 7.980 8.423 -0.443 25887 6683 1 17 . 1 1 120 120 ARG N N 120 120.159 120.159 123.168 -3.009 25887 6684 1 17 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.941 0.097 25887 6685 1 17 . 1 1 120 120 ARG C C 120 175.624 175.624 175.785 -0.161 25887 6686 1 17 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.754 -0.338 25887 6687 1 17 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.282 0.706 25887 6688 1 17 . 1 1 120 120 ARG H H 120 8.523 8.523 8.648 -0.125 25887 6689 1 17 . 1 1 121 121 ASP N N 121 115.199 115.199 118.141 -2.942 25887 6690 1 17 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.537 -0.007 25887 6691 1 17 . 1 1 121 121 ASP C C 121 175.593 175.593 176.099 -0.506 25887 6692 1 17 . 1 1 121 121 ASP CA C 121 54.424 54.424 54.370 0.054 25887 6693 1 17 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.144 -0.110 25887 6694 1 17 . 1 1 121 121 ASP H H 121 8.252 8.252 8.235 0.017 25887 6695 1 17 . 1 1 122 122 SER N N 122 114.383 114.383 115.188 -0.805 25887 6696 1 17 . 1 1 122 122 SER HA H 122 4.124 4.124 4.250 -0.126 25887 6697 1 17 . 1 1 122 122 SER C C 122 173.264 173.264 174.887 -1.623 25887 6698 1 17 . 1 1 122 122 SER CA C 122 60.703 60.703 59.442 1.261 25887 6699 1 17 . 1 1 122 122 SER CB C 122 62.879 62.879 63.294 -0.415 25887 6700 1 17 . 1 1 122 122 SER H H 122 7.612 7.612 7.970 -0.358 25887 6701 1 17 . 1 1 123 123 THR N N 123 111.852 111.852 117.069 -5.217 25887 6702 1 17 . 1 1 123 123 THR HA H 123 4.519 4.519 4.345 0.174 25887 6703 1 17 . 1 1 123 123 THR C C 123 173.356 173.356 173.918 -0.562 25887 6704 1 17 . 1 1 123 123 THR CA C 123 61.888 61.888 61.320 0.568 25887 6705 1 17 . 1 1 123 123 THR CB C 123 70.830 70.830 69.887 0.943 25887 6706 1 17 . 1 1 123 123 THR H H 123 8.413 8.413 7.948 0.465 25887 6707 1 17 . 1 1 124 124 HIS N N 124 120.615 120.615 119.413 1.202 25887 6708 1 17 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.956 0.200 25887 6709 1 17 . 1 1 124 124 HIS C C 124 174.177 174.177 173.979 0.198 25887 6710 1 17 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.895 1.105 25887 6711 1 17 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.286 1.458 25887 6712 1 17 . 1 1 124 124 HIS H H 124 8.630 8.630 7.568 1.062 25887 6713 1 17 . 1 1 125 125 CYS N N 125 115.755 115.755 117.301 -1.546 25887 6714 1 17 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.133 0.583 25887 6715 1 17 . 1 1 125 125 CYS C C 125 174.906 174.906 173.653 1.253 25887 6716 1 17 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.938 -5.766 25887 6717 1 17 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.922 6.562 25887 6718 1 17 . 1 1 125 125 CYS H H 125 9.102 9.102 8.471 0.631 25887 6719 1 17 . 1 1 126 126 VAL N N 126 121.353 121.353 120.585 0.768 25887 6720 1 17 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.817 0.382 25887 6721 1 17 . 1 1 126 126 VAL C C 126 176.004 176.004 174.843 1.161 25887 6722 1 17 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.550 0.005 25887 6723 1 17 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.114 0.491 25887 6724 1 17 . 1 1 126 126 VAL H H 126 9.077 9.077 9.058 0.019 25887 6725 1 17 . 1 1 127 127 THR N N 127 125.497 125.497 122.552 2.945 25887 6726 1 17 . 1 1 127 127 THR HA H 127 5.192 5.192 4.901 0.291 25887 6727 1 17 . 1 1 127 127 THR C C 127 173.510 173.510 174.116 -0.606 25887 6728 1 17 . 1 1 127 127 THR CA C 127 61.909 61.909 60.950 0.959 25887 6729 1 17 . 1 1 127 127 THR CB C 127 71.018 71.018 70.159 0.859 25887 6730 1 17 . 1 1 127 127 THR H H 127 9.031 9.031 8.465 0.566 25887 6731 1 17 . 1 1 128 128 THR N N 128 121.196 121.196 119.595 1.601 25887 6732 1 17 . 1 1 128 128 THR HA H 128 5.500 5.500 4.926 0.574 25887 6733 1 17 . 1 1 128 128 THR C C 128 172.228 172.228 172.962 -0.734 25887 6734 1 17 . 1 1 128 128 THR CA C 128 59.004 59.004 59.612 -0.608 25887 6735 1 17 . 1 1 128 128 THR CB C 128 70.306 70.306 69.803 0.503 25887 6736 1 17 . 1 1 128 128 THR H H 128 9.625 9.625 8.364 1.261 25887 6737 1 17 . 1 1 129 129 ALA N N 129 124.169 124.169 128.078 -3.909 25887 6738 1 17 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.236 0.264 25887 6739 1 17 . 1 1 129 129 ALA C C 129 176.424 176.424 176.530 -0.106 25887 6740 1 17 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.452 0.043 25887 6741 1 17 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.028 0.320 25887 6742 1 17 . 1 1 129 129 ALA H H 129 8.539 8.539 8.105 0.434 25887 6743 1 17 . 1 1 130 130 THR N N 130 116.687 116.687 117.416 -0.729 25887 6744 1 17 . 1 1 130 130 THR HA H 130 4.890 4.890 4.388 0.502 25887 6745 1 17 . 1 1 130 130 THR C C 130 172.854 172.854 174.052 -1.198 25887 6746 1 17 . 1 1 130 130 THR CA C 130 60.678 60.678 61.436 -0.758 25887 6747 1 17 . 1 1 130 130 THR CB C 130 70.352 70.352 68.961 1.391 25887 6748 1 17 . 1 1 130 130 THR H H 130 8.636 8.636 8.216 0.420 25887 6749 1 17 . 1 1 131 131 ARG N N 131 124.260 124.260 128.018 -3.758 25887 6750 1 17 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.505 0.145 25887 6751 1 17 . 1 1 131 131 ARG C C 131 175.603 175.603 175.750 -0.147 25887 6752 1 17 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.552 -0.094 25887 6753 1 17 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.077 -0.322 25887 6754 1 17 . 1 1 131 131 ARG H H 131 8.540 8.540 8.291 0.249 25887 6755 1 17 . 1 1 132 132 VAL N N 132 121.349 121.349 124.092 -2.743 25887 6756 1 17 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.509 -0.277 25887 6757 1 17 . 1 1 132 132 VAL C C 132 175.727 175.727 175.939 -0.212 25887 6758 1 17 . 1 1 132 132 VAL CA C 132 61.835 61.835 60.932 0.903 25887 6759 1 17 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.859 -0.223 25887 6760 1 17 . 1 1 132 132 VAL H H 132 8.430 8.430 8.566 -0.136 25887 6761 1 17 . 1 1 133 133 LEU N N 133 124.364 124.364 125.687 -1.323 25887 6762 1 17 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.396 0.056 25887 6763 1 17 . 1 1 133 133 LEU C C 133 176.753 176.753 178.151 -1.398 25887 6764 1 17 . 1 1 133 133 LEU CA C 133 54.748 54.748 57.132 -2.384 25887 6765 1 17 . 1 1 133 133 LEU CB C 133 41.873 41.873 41.459 0.414 25887 6766 1 17 . 1 1 133 133 LEU H H 133 8.246 8.246 8.659 -0.413 25887 6767 1 17 . 1 1 134 134 SER N N 134 114.791 114.791 116.100 -1.309 25887 6768 1 17 . 1 1 134 134 SER HA H 134 4.490 4.490 4.297 0.193 25887 6769 1 17 . 1 1 134 134 SER C C 134 173.900 173.900 175.491 -1.591 25887 6770 1 17 . 1 1 134 134 SER CA C 134 57.970 57.970 60.832 -2.862 25887 6771 1 17 . 1 1 134 134 SER CB C 134 63.375 63.375 62.343 1.032 25887 6772 1 17 . 1 1 134 134 SER H H 134 8.078 8.078 8.406 -0.328 25887 6773 1 17 . 1 1 135 135 ASN N N 135 119.634 119.634 118.726 0.908 25887 6774 1 17 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.698 0.079 25887 6775 1 17 . 1 1 135 135 ASN C C 135 175.337 175.337 174.845 0.492 25887 6776 1 17 . 1 1 135 135 ASN CA C 135 53.070 53.070 53.601 -0.531 25887 6777 1 17 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.672 -0.326 25887 6778 1 17 . 1 1 135 135 ASN H H 135 8.287 8.287 7.659 0.628 25887 6779 1 17 . 1 1 136 136 THR N N 136 112.097 112.097 110.026 2.071 25887 6780 1 17 . 1 1 136 136 THR HA H 136 4.311 4.311 3.904 0.407 25887 6781 1 17 . 1 1 136 136 THR C C 136 174.280 174.280 174.493 -0.213 25887 6782 1 17 . 1 1 136 136 THR CA C 136 62.131 62.131 63.398 -1.267 25887 6783 1 17 . 1 1 136 136 THR CB C 136 69.106 69.106 67.634 1.472 25887 6784 1 17 . 1 1 136 136 THR H H 136 8.085 8.085 7.497 0.588 25887 6785 1 17 . 1 1 137 137 GLU N N 137 120.207 120.207 121.843 -1.636 25887 6786 1 17 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.368 -0.004 25887 6787 1 17 . 1 1 137 137 GLU C C 137 175.296 175.296 175.954 -0.658 25887 6788 1 17 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.260 0.494 25887 6789 1 17 . 1 1 137 137 GLU CB C 137 29.189 29.189 30.811 -1.622 25887 6790 1 17 . 1 1 137 137 GLU H H 137 8.035 8.035 8.046 -0.011 25887 6791 1 17 . 1 1 138 138 ASP N N 138 119.742 119.742 118.480 1.262 25887 6792 1 17 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.635 -0.030 25887 6793 1 17 . 1 1 138 138 ASP C C 138 174.978 174.978 176.035 -1.057 25887 6794 1 17 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.639 -1.759 25887 6795 1 17 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.160 -0.925 25887 6796 1 17 . 1 1 138 138 ASP H H 138 8.097 8.097 8.537 -0.440 25887 6797 1 17 . 1 1 139 139 LEU N N 139 121.008 121.008 115.254 5.754 25887 6798 1 17 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.716 0.061 25887 6799 1 17 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.247 -0.236 25887 6800 1 17 . 1 1 139 139 LEU CB C 139 42.693 42.693 43.005 -0.312 25887 6801 1 17 . 1 1 139 139 LEU H H 139 8.021 8.021 7.405 0.616 25887 6802 1 17 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.364 0.270 25887 6803 1 17 . 1 1 140 140 PRO C C 140 175.419 175.419 175.485 -0.066 25887 6804 1 17 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.248 -0.186 25887 6805 1 17 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.773 -0.883 25887 6806 1 17 . 1 1 141 141 LEU N N 141 123.715 123.715 120.366 3.349 25887 6807 1 17 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.437 -0.261 25887 6808 1 17 . 1 1 141 141 LEU C C 141 175.870 175.870 175.629 0.241 25887 6809 1 17 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.796 1.394 25887 6810 1 17 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.603 -1.925 25887 6811 1 17 . 1 1 141 141 LEU H H 141 8.569 8.569 7.814 0.755 25887 6812 1 17 . 1 1 142 142 VAL N N 142 131.573 131.573 119.716 11.857 25887 6813 1 17 . 1 1 142 142 VAL HA H 142 5.150 5.150 5.120 0.030 25887 6814 1 17 . 1 1 142 142 VAL C C 142 174.198 174.198 175.290 -1.092 25887 6815 1 17 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.357 0.226 25887 6816 1 17 . 1 1 142 142 VAL CB C 142 33.230 33.230 36.317 -3.087 25887 6817 1 17 . 1 1 142 142 VAL H H 142 9.005 9.005 7.986 1.019 25887 6818 1 17 . 1 1 143 143 THR N N 143 121.430 121.430 120.171 1.259 25887 6819 1 17 . 1 1 143 143 THR HA H 143 4.967 4.967 4.549 0.418 25887 6820 1 17 . 1 1 143 143 THR C C 143 172.546 172.546 172.928 -0.382 25887 6821 1 17 . 1 1 143 143 THR CA C 143 61.343 61.343 61.954 -0.611 25887 6822 1 17 . 1 1 143 143 THR CB C 143 69.917 69.917 70.469 -0.552 25887 6823 1 17 . 1 1 143 143 THR H H 143 8.744 8.744 8.488 0.256 25887 6824 1 17 . 1 1 144 144 LYS N N 144 126.310 126.310 128.111 -1.801 25887 6825 1 17 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.240 0.349 25887 6826 1 17 . 1 1 144 144 LYS C C 144 175.839 175.839 176.688 -0.849 25887 6827 1 17 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.905 -0.238 25887 6828 1 17 . 1 1 144 144 LYS CB C 144 35.577 35.577 34.239 1.338 25887 6829 1 17 . 1 1 144 144 LYS H H 144 9.397 9.397 8.150 1.247 25887 6830 1 17 . 1 1 145 145 MET N N 145 117.942 117.942 118.509 -0.567 25887 6831 1 17 . 1 1 145 145 MET HA H 145 5.058 5.058 4.914 0.144 25887 6832 1 17 . 1 1 145 145 MET C C 145 174.454 174.454 173.786 0.668 25887 6833 1 17 . 1 1 145 145 MET CA C 145 54.843 54.843 55.119 -0.276 25887 6834 1 17 . 1 1 145 145 MET CB C 145 35.827 35.827 36.154 -0.327 25887 6835 1 17 . 1 1 145 145 MET H H 145 8.729 8.729 8.606 0.123 25887 6836 1 17 . 1 1 146 146 CYS N N 146 119.031 119.031 117.720 1.311 25887 6837 1 17 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.325 0.183 25887 6838 1 17 . 1 1 146 146 CYS C C 146 175.029 175.029 174.155 0.874 25887 6839 1 17 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.858 -1.189 25887 6840 1 17 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.274 16.023 25887 6841 1 17 . 1 1 146 146 CYS H H 146 8.642 8.642 8.515 0.127 25887 6842 1 17 . 1 1 147 147 HIS N N 147 120.858 120.858 118.330 2.528 25887 6843 1 17 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.743 -0.100 25887 6844 1 17 . 1 1 147 147 HIS C C 147 173.223 173.223 174.643 -1.420 25887 6845 1 17 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.059 1.542 25887 6846 1 17 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.498 0.322 25887 6847 1 17 . 1 1 147 147 HIS H H 147 9.423 9.423 8.590 0.833 25887 6848 1 17 . 1 1 148 148 ILE N N 148 125.370 125.370 123.105 2.265 25887 6849 1 17 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.108 0.262 25887 6850 1 17 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.507 1.031 25887 6851 1 17 . 1 1 148 148 ILE CB C 148 36.096 36.096 35.797 0.299 25887 6852 1 17 . 1 1 148 148 ILE H H 148 8.374 8.374 8.208 0.166 25887 6853 1 17 . 1 1 149 149 GLY N N 149 118.093 118.093 113.732 4.361 25887 6854 1 17 . 1 1 149 149 GLY C C 149 170.853 170.853 172.509 -1.656 25887 6855 1 17 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.966 -1.425 25887 6856 1 17 . 1 1 149 149 GLY H H 149 8.367 8.367 8.322 0.045 25887 6857 1 17 . 1 1 150 150 CYS N N 150 118.529 118.529 122.776 -4.247 25887 6858 1 17 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.871 -0.053 25887 6859 1 17 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.951 -6.686 25887 6860 1 17 . 1 1 150 150 CYS CB C 150 38.752 38.752 27.433 11.319 25887 6861 1 17 . 1 1 150 150 CYS H H 150 8.187 8.187 8.446 -0.259 25887 6862 1 17 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.544 -0.200 25887 6863 1 17 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.579 -0.151 25887 6864 1 17 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.276 -0.604 25887 6865 1 17 . 1 1 152 152 ASP N N 152 117.148 117.148 122.430 -5.282 25887 6866 1 17 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.557 0.083 25887 6867 1 17 . 1 1 152 152 ASP C C 152 175.624 175.624 175.697 -0.073 25887 6868 1 17 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.549 -3.139 25887 6869 1 17 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.109 0.582 25887 6870 1 17 . 1 1 152 152 ASP H H 152 7.668 7.668 8.387 -0.719 25887 6871 1 17 . 1 1 153 153 ILE N N 153 119.719 119.719 124.232 -4.513 25887 6872 1 17 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.512 -0.599 25887 6873 1 17 . 1 1 153 153 ILE CA C 153 64.996 64.996 58.633 6.364 25887 6874 1 17 . 1 1 153 153 ILE CB C 153 35.994 35.994 38.496 -2.502 25887 6875 1 17 . 1 1 153 153 ILE H H 153 8.327 8.327 8.362 -0.035 25887 6876 1 17 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.379 -0.015 25887 6877 1 17 . 1 1 154 154 PRO C C 154 178.333 178.333 177.596 0.737 25887 6878 1 17 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.523 0.480 25887 6879 1 17 . 1 1 154 154 PRO CB C 154 30.777 30.777 32.103 -1.326 25887 6880 1 17 . 1 1 155 155 SER N N 155 112.667 112.667 113.429 -0.762 25887 6881 1 17 . 1 1 155 155 SER HA H 155 4.303 4.303 4.277 0.026 25887 6882 1 17 . 1 1 155 155 SER C C 155 175.450 175.450 175.569 -0.119 25887 6883 1 17 . 1 1 155 155 SER CA C 155 60.312 60.312 60.199 0.113 25887 6884 1 17 . 1 1 155 155 SER CB C 155 62.816 62.816 62.608 0.208 25887 6885 1 17 . 1 1 155 155 SER H H 155 7.883 7.883 8.295 -0.412 25887 6886 1 17 . 1 1 156 156 LEU N N 156 120.903 120.903 119.742 1.161 25887 6887 1 17 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.219 0.086 25887 6888 1 17 . 1 1 156 156 LEU C C 156 177.974 177.974 176.387 1.587 25887 6889 1 17 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.395 0.121 25887 6890 1 17 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.896 -0.816 25887 6891 1 17 . 1 1 156 156 LEU H H 156 7.770 7.770 7.316 0.454 25887 6892 1 17 . 1 1 157 157 GLY N N 157 105.004 105.004 104.011 0.993 25887 6893 1 17 . 1 1 157 157 GLY C C 157 174.321 174.321 173.256 1.065 25887 6894 1 17 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.803 1.384 25887 6895 1 17 . 1 1 157 157 GLY H H 157 7.666 7.666 7.317 0.349 25887 6896 1 17 . 1 1 158 158 LEU N N 158 119.534 119.534 124.619 -5.085 25887 6897 1 17 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.632 -0.100 25887 6898 1 17 . 1 1 158 158 LEU C C 158 176.712 176.712 177.682 -0.970 25887 6899 1 17 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.752 -1.992 25887 6900 1 17 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.391 0.370 25887 6901 1 17 . 1 1 158 158 LEU H H 158 8.203 8.203 8.121 0.082 25887 6902 1 17 . 1 1 159 159 GLY N N 159 108.700 108.700 109.646 -0.946 25887 6903 1 17 . 1 1 159 159 GLY CA C 159 44.416 44.416 46.615 -2.199 25887 6904 1 17 . 1 1 159 159 GLY H H 159 8.055 8.055 8.701 -0.646 25887 6905 1 17 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.362 0.014 25887 6906 1 17 . 1 1 160 160 PRO C C 160 177.112 177.112 175.769 1.343 25887 6907 1 17 . 1 1 160 160 PRO CA C 160 63.311 63.311 62.823 0.488 25887 6908 1 17 . 1 1 160 160 PRO CB C 160 31.562 31.562 32.148 -0.586 25887 6909 1 17 . 1 1 161 161 TYR N N 161 119.287 119.287 116.290 2.997 25887 6910 1 17 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.187 0.631 25887 6911 1 17 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.663 -1.244 25887 6912 1 17 . 1 1 161 161 TYR CB C 161 36.961 36.961 36.341 0.620 25887 6913 1 17 . 1 1 161 161 TYR H H 161 8.130 8.130 7.272 0.858 25887 6914 1 17 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.015 0.718 25887 6915 1 17 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.545 -2.199 25887 6916 1 17 . 1 1 162 162 VAL CB C 162 38.408 38.408 33.070 5.338 25887 6917 1 17 . 1 1 163 163 SER N N 163 119.428 119.428 123.929 -4.501 25887 6918 1 17 . 1 1 163 163 SER HA H 163 4.788 4.788 4.464 0.324 25887 6919 1 17 . 1 1 163 163 SER C C 163 173.141 173.141 173.324 -0.183 25887 6920 1 17 . 1 1 163 163 SER CA C 163 56.672 56.672 57.868 -1.196 25887 6921 1 17 . 1 1 163 163 SER CB C 163 64.650 64.650 64.057 0.593 25887 6922 1 17 . 1 1 163 163 SER H H 163 8.641 8.641 8.315 0.326 25887 6923 1 17 . 1 1 164 164 ILE N N 164 123.448 123.448 125.094 -1.646 25887 6924 1 17 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.726 0.020 25887 6925 1 17 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.001 0.628 25887 6926 1 17 . 1 1 164 164 ILE CB C 164 41.311 41.311 39.961 1.351 25887 6927 1 17 . 1 1 164 164 ILE H H 164 8.496 8.496 8.275 0.221 25887 6928 1 17 . 1 1 165 165 ALA N N 165 129.783 129.783 131.342 -1.559 25887 6929 1 17 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.649 0.221 25887 6930 1 17 . 1 1 165 165 ALA C C 165 176.219 176.219 176.367 -0.148 25887 6931 1 17 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.878 -0.098 25887 6932 1 17 . 1 1 165 165 ALA CB C 165 21.348 21.348 18.703 2.645 25887 6933 1 17 . 1 1 165 165 ALA H H 165 8.941 8.941 8.871 0.070 25887 6934 1 17 . 1 1 166 166 CYS N N 166 119.842 119.842 122.333 -2.491 25887 6935 1 17 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.364 0.188 25887 6936 1 17 . 1 1 166 166 CYS C C 166 172.289 172.289 175.534 -3.245 25887 6937 1 17 . 1 1 166 166 CYS CA C 166 53.119 53.119 56.978 -3.859 25887 6938 1 17 . 1 1 166 166 CYS CB C 166 48.826 48.826 26.746 22.080 25887 6939 1 17 . 1 1 166 166 CYS H H 166 9.049 9.049 8.379 0.670 25887 6940 1 17 . 1 1 167 167 CYS N N 167 118.569 118.569 122.499 -3.930 25887 6941 1 17 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.898 0.338 25887 6942 1 17 . 1 1 167 167 CYS C C 167 173.562 173.562 173.221 0.341 25887 6943 1 17 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.619 -2.478 25887 6944 1 17 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.503 14.960 25887 6945 1 17 . 1 1 167 167 CYS H H 167 9.297 9.297 8.878 0.419 25887 6946 1 17 . 1 1 168 168 GLN N N 168 118.916 118.916 119.951 -1.035 25887 6947 1 17 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.410 0.420 25887 6948 1 17 . 1 1 168 168 GLN C C 168 174.362 174.362 175.015 -0.653 25887 6949 1 17 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.192 0.793 25887 6950 1 17 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.341 4.347 25887 6951 1 17 . 1 1 168 168 GLN H H 168 9.105 9.105 8.491 0.614 25887 6952 1 17 . 1 1 169 169 THR N N 169 110.926 110.926 113.191 -2.265 25887 6953 1 17 . 1 1 169 169 THR HA H 169 4.813 4.813 4.616 0.197 25887 6954 1 17 . 1 1 169 169 THR C C 169 173.859 173.859 174.289 -0.430 25887 6955 1 17 . 1 1 169 169 THR CA C 169 60.038 60.038 59.949 0.089 25887 6956 1 17 . 1 1 169 169 THR CB C 169 71.377 71.377 71.715 -0.338 25887 6957 1 17 . 1 1 169 169 THR H H 169 7.540 7.540 7.449 0.091 25887 6958 1 17 . 1 1 170 170 SER N N 170 117.386 117.386 119.477 -2.091 25887 6959 1 17 . 1 1 170 170 SER HA H 170 4.850 4.850 4.319 0.531 25887 6960 1 17 . 1 1 170 170 SER C C 170 175.757 175.757 175.443 0.314 25887 6961 1 17 . 1 1 170 170 SER CA C 170 60.987 60.987 58.984 2.003 25887 6962 1 17 . 1 1 170 170 SER CB C 170 63.104 63.104 63.469 -0.365 25887 6963 1 17 . 1 1 170 170 SER H H 170 8.814 8.814 8.570 0.244 25887 6964 1 17 . 1 1 171 171 LEU N N 171 116.724 116.724 119.186 -2.462 25887 6965 1 17 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.783 -0.123 25887 6966 1 17 . 1 1 171 171 LEU C C 171 176.055 176.055 177.153 -1.098 25887 6967 1 17 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.536 0.489 25887 6968 1 17 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.133 -1.845 25887 6969 1 17 . 1 1 171 171 LEU H H 171 9.570 9.570 8.579 0.991 25887 6970 1 17 . 1 1 172 172 CYS N N 172 113.842 113.842 113.403 0.439 25887 6971 1 17 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.763 -0.149 25887 6972 1 17 . 1 1 172 172 CYS C C 172 174.424 174.424 175.115 -0.691 25887 6973 1 17 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.643 0.167 25887 6974 1 17 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.169 19.402 25887 6975 1 17 . 1 1 172 172 CYS H H 172 8.221 8.221 7.815 0.406 25887 6976 1 17 . 1 1 173 173 ASN N N 173 121.019 121.019 118.179 2.840 25887 6977 1 17 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.931 -0.174 25887 6978 1 17 . 1 1 173 173 ASN C C 173 174.239 174.239 175.978 -1.739 25887 6979 1 17 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.413 -1.648 25887 6980 1 17 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.858 -3.457 25887 6981 1 17 . 1 1 173 173 ASN H H 173 8.458 8.458 8.330 0.128 25887 6982 1 17 . 1 1 174 174 HIS N N 174 115.973 115.973 119.005 -3.032 25887 6983 1 17 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.568 -0.256 25887 6984 1 17 . 1 1 174 174 HIS C C 174 173.213 173.213 174.349 -1.136 25887 6985 1 17 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.873 -2.029 25887 6986 1 17 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.480 -1.370 25887 6987 1 17 . 1 1 174 174 HIS H H 174 7.170 7.170 7.838 -0.668 25887 6988 1 18 . 1 1 101 101 ILE N N 101 123.543 123.543 117.623 5.920 25887 6989 1 18 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.636 -0.028 25887 6990 1 18 . 1 1 101 101 ILE C C 101 172.659 172.659 174.349 -1.690 25887 6991 1 18 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.631 1.023 25887 6992 1 18 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.134 0.167 25887 6993 1 18 . 1 1 101 101 ILE H H 101 8.681 8.681 7.390 1.291 25887 6994 1 18 . 1 1 102 102 TRP N N 102 123.817 123.817 121.428 2.389 25887 6995 1 18 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.015 0.083 25887 6996 1 18 . 1 1 102 102 TRP C C 102 175.757 175.757 176.190 -0.433 25887 6997 1 18 . 1 1 102 102 TRP CA C 102 55.779 55.779 57.137 -1.358 25887 6998 1 18 . 1 1 102 102 TRP CB C 102 30.206 30.206 29.604 0.602 25887 6999 1 18 . 1 1 102 102 TRP H H 102 8.008 8.008 8.265 -0.257 25887 7000 1 18 . 1 1 103 103 CYS N N 103 116.424 116.424 120.129 -3.705 25887 7001 1 18 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.737 0.358 25887 7002 1 18 . 1 1 103 103 CYS C C 103 175.070 175.070 173.095 1.975 25887 7003 1 18 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.442 -5.431 25887 7004 1 18 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.875 10.069 25887 7005 1 18 . 1 1 103 103 CYS H H 103 8.481 8.481 9.008 -0.527 25887 7006 1 18 . 1 1 104 104 HIS N N 104 123.159 123.159 118.426 4.733 25887 7007 1 18 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.169 -0.573 25887 7008 1 18 . 1 1 104 104 HIS C C 104 176.075 176.075 175.309 0.766 25887 7009 1 18 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.502 3.231 25887 7010 1 18 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.553 0.431 25887 7011 1 18 . 1 1 104 104 HIS H H 104 9.364 9.364 8.598 0.766 25887 7012 1 18 . 1 1 105 105 GLN N N 105 123.570 123.570 122.508 1.062 25887 7013 1 18 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.966 0.012 25887 7014 1 18 . 1 1 105 105 GLN C C 105 173.623 173.623 175.359 -1.736 25887 7015 1 18 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.247 -0.878 25887 7016 1 18 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.722 1.060 25887 7017 1 18 . 1 1 105 105 GLN H H 105 8.108 8.108 8.252 -0.144 25887 7018 1 18 . 1 1 106 106 CYS N N 106 118.604 118.604 119.863 -1.259 25887 7019 1 18 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.692 0.259 25887 7020 1 18 . 1 1 106 106 CYS C C 106 171.120 171.120 176.296 -5.176 25887 7021 1 18 . 1 1 106 106 CYS CA C 106 53.907 53.907 59.560 -5.653 25887 7022 1 18 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.531 11.108 25887 7023 1 18 . 1 1 106 106 CYS H H 106 8.458 8.458 8.384 0.074 25887 7024 1 18 . 1 1 107 107 THR N N 107 113.541 113.541 118.613 -5.072 25887 7025 1 18 . 1 1 107 107 THR HA H 107 5.500 5.500 4.219 1.281 25887 7026 1 18 . 1 1 107 107 THR C C 107 173.592 173.592 173.776 -0.184 25887 7027 1 18 . 1 1 107 107 THR CA C 107 60.161 60.161 64.756 -4.595 25887 7028 1 18 . 1 1 107 107 THR CB C 107 71.879 71.879 69.267 2.612 25887 7029 1 18 . 1 1 107 107 THR H H 107 8.400 8.400 8.887 -0.487 25887 7030 1 18 . 1 1 108 108 GLY N N 108 110.549 110.549 107.820 2.729 25887 7031 1 18 . 1 1 108 108 GLY C C 108 171.694 171.694 172.578 -0.884 25887 7032 1 18 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.596 0.852 25887 7033 1 18 . 1 1 108 108 GLY H H 108 8.817 8.817 7.190 1.627 25887 7034 1 18 . 1 1 109 109 PHE N N 109 120.830 120.830 123.411 -2.581 25887 7035 1 18 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.590 0.534 25887 7036 1 18 . 1 1 109 109 PHE C C 109 177.225 177.225 175.826 1.399 25887 7037 1 18 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.115 1.323 25887 7038 1 18 . 1 1 109 109 PHE CB C 109 38.408 38.408 39.950 -1.542 25887 7039 1 18 . 1 1 109 109 PHE H H 109 8.924 8.924 8.331 0.593 25887 7040 1 18 . 1 1 110 110 GLY N N 110 113.069 113.069 109.914 3.155 25887 7041 1 18 . 1 1 110 110 GLY C C 110 172.546 172.546 175.261 -2.715 25887 7042 1 18 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.637 0.071 25887 7043 1 18 . 1 1 110 110 GLY H H 110 9.442 9.442 8.218 1.224 25887 7044 1 18 . 1 1 111 111 GLY N N 111 106.335 106.335 104.998 1.337 25887 7045 1 18 . 1 1 111 111 GLY C C 111 171.664 171.664 174.856 -3.192 25887 7046 1 18 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.620 -0.364 25887 7047 1 18 . 1 1 111 111 GLY H H 111 7.095 7.095 8.323 -1.228 25887 7048 1 18 . 1 1 112 112 CYS N N 112 111.804 111.804 119.933 -8.129 25887 7049 1 18 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.303 0.453 25887 7050 1 18 . 1 1 112 112 CYS C C 112 171.027 171.027 174.261 -3.234 25887 7051 1 18 . 1 1 112 112 CYS CA C 112 56.123 56.123 59.393 -3.270 25887 7052 1 18 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.123 14.667 25887 7053 1 18 . 1 1 112 112 CYS H H 112 8.477 8.477 8.274 0.203 25887 7054 1 18 . 1 1 113 113 SER N N 113 116.083 116.083 118.820 -2.737 25887 7055 1 18 . 1 1 113 113 SER HA H 113 4.603 4.603 4.254 0.349 25887 7056 1 18 . 1 1 113 113 SER C C 113 174.536 174.536 172.652 1.884 25887 7057 1 18 . 1 1 113 113 SER CA C 113 56.493 56.493 57.618 -1.125 25887 7058 1 18 . 1 1 113 113 SER CB C 113 65.160 65.160 65.657 -0.497 25887 7059 1 18 . 1 1 113 113 SER H H 113 8.693 8.693 8.403 0.290 25887 7060 1 18 . 1 1 114 114 HIS N N 114 126.668 126.668 120.739 5.929 25887 7061 1 18 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.638 -0.070 25887 7062 1 18 . 1 1 114 114 HIS C C 114 172.515 172.515 174.615 -2.100 25887 7063 1 18 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.714 0.173 25887 7064 1 18 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.480 -5.204 25887 7065 1 18 . 1 1 114 114 HIS H H 114 11.587 11.587 8.226 3.361 25887 7066 1 18 . 1 1 115 115 GLY N N 115 119.128 119.128 111.343 7.785 25887 7067 1 18 . 1 1 115 115 GLY C C 115 173.018 173.018 173.624 -0.606 25887 7068 1 18 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.508 0.949 25887 7069 1 18 . 1 1 115 115 GLY H H 115 9.361 9.361 8.597 0.764 25887 7070 1 18 . 1 1 116 116 SER N N 116 118.656 118.656 120.275 -1.619 25887 7071 1 18 . 1 1 116 116 SER HA H 116 4.451 4.451 4.961 -0.510 25887 7072 1 18 . 1 1 116 116 SER C C 116 171.848 171.848 173.156 -1.308 25887 7073 1 18 . 1 1 116 116 SER CA C 116 57.256 57.256 55.994 1.262 25887 7074 1 18 . 1 1 116 116 SER CB C 116 64.697 64.697 65.704 -1.007 25887 7075 1 18 . 1 1 116 116 SER H H 116 8.151 8.151 8.987 -0.836 25887 7076 1 18 . 1 1 117 117 ARG N N 117 124.682 124.682 121.259 3.423 25887 7077 1 18 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.790 -0.836 25887 7078 1 18 . 1 1 117 117 ARG C C 117 176.671 176.671 175.655 1.016 25887 7079 1 18 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.690 1.065 25887 7080 1 18 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.534 0.583 25887 7081 1 18 . 1 1 117 117 ARG H H 117 7.629 7.629 8.307 -0.678 25887 7082 1 18 . 1 1 118 118 CYS N N 118 122.932 122.932 123.629 -0.697 25887 7083 1 18 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.453 0.421 25887 7084 1 18 . 1 1 118 118 CYS C C 118 174.577 174.577 174.969 -0.392 25887 7085 1 18 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.071 -6.075 25887 7086 1 18 . 1 1 118 118 CYS CB C 118 39.297 39.297 29.057 10.240 25887 7087 1 18 . 1 1 118 118 CYS H H 118 7.852 7.852 7.810 0.042 25887 7088 1 18 . 1 1 119 119 LEU N N 119 120.027 120.027 122.871 -2.844 25887 7089 1 18 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.166 0.135 25887 7090 1 18 . 1 1 119 119 LEU C C 119 178.394 178.394 177.912 0.482 25887 7091 1 18 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.847 0.369 25887 7092 1 18 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.378 -0.687 25887 7093 1 18 . 1 1 119 119 LEU H H 119 7.980 7.980 8.356 -0.376 25887 7094 1 18 . 1 1 120 120 ARG N N 120 120.159 120.159 122.292 -2.133 25887 7095 1 18 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.887 0.151 25887 7096 1 18 . 1 1 120 120 ARG C C 120 175.624 175.624 176.319 -0.695 25887 7097 1 18 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.685 -0.269 25887 7098 1 18 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.932 0.056 25887 7099 1 18 . 1 1 120 120 ARG H H 120 8.523 8.523 8.691 -0.168 25887 7100 1 18 . 1 1 121 121 ASP N N 121 115.199 115.199 117.402 -2.203 25887 7101 1 18 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.484 0.046 25887 7102 1 18 . 1 1 121 121 ASP C C 121 175.593 175.593 176.494 -0.901 25887 7103 1 18 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.564 -1.140 25887 7104 1 18 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.246 -0.212 25887 7105 1 18 . 1 1 121 121 ASP H H 121 8.252 8.252 8.219 0.033 25887 7106 1 18 . 1 1 122 122 SER N N 122 114.383 114.383 115.597 -1.214 25887 7107 1 18 . 1 1 122 122 SER HA H 122 4.124 4.124 4.478 -0.354 25887 7108 1 18 . 1 1 122 122 SER C C 122 173.264 173.264 174.470 -1.206 25887 7109 1 18 . 1 1 122 122 SER CA C 122 60.703 60.703 59.040 1.663 25887 7110 1 18 . 1 1 122 122 SER CB C 122 62.879 62.879 62.959 -0.080 25887 7111 1 18 . 1 1 122 122 SER H H 122 7.612 7.612 7.597 0.015 25887 7112 1 18 . 1 1 123 123 THR N N 123 111.852 111.852 115.892 -4.040 25887 7113 1 18 . 1 1 123 123 THR HA H 123 4.519 4.519 4.558 -0.039 25887 7114 1 18 . 1 1 123 123 THR C C 123 173.356 173.356 174.282 -0.926 25887 7115 1 18 . 1 1 123 123 THR CA C 123 61.888 61.888 61.420 0.468 25887 7116 1 18 . 1 1 123 123 THR CB C 123 70.830 70.830 69.971 0.859 25887 7117 1 18 . 1 1 123 123 THR H H 123 8.413 8.413 8.286 0.127 25887 7118 1 18 . 1 1 124 124 HIS N N 124 120.615 120.615 120.707 -0.092 25887 7119 1 18 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.910 0.246 25887 7120 1 18 . 1 1 124 124 HIS C C 124 174.177 174.177 173.939 0.238 25887 7121 1 18 . 1 1 124 124 HIS CA C 124 56.000 56.000 56.164 -0.164 25887 7122 1 18 . 1 1 124 124 HIS CB C 124 34.744 34.744 32.490 2.254 25887 7123 1 18 . 1 1 124 124 HIS H H 124 8.630 8.630 7.625 1.005 25887 7124 1 18 . 1 1 125 125 CYS N N 125 115.755 115.755 121.612 -5.857 25887 7125 1 18 . 1 1 125 125 CYS HA H 125 5.716 5.716 4.567 1.149 25887 7126 1 18 . 1 1 125 125 CYS C C 125 174.906 174.906 173.318 1.588 25887 7127 1 18 . 1 1 125 125 CYS CA C 125 52.172 52.172 59.589 -7.417 25887 7128 1 18 . 1 1 125 125 CYS CB C 125 36.484 36.484 27.858 8.626 25887 7129 1 18 . 1 1 125 125 CYS H H 125 9.102 9.102 8.321 0.781 25887 7130 1 18 . 1 1 126 126 VAL N N 126 121.353 121.353 125.548 -4.195 25887 7131 1 18 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.970 0.229 25887 7132 1 18 . 1 1 126 126 VAL C C 126 176.004 176.004 175.051 0.953 25887 7133 1 18 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.575 -0.020 25887 7134 1 18 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.574 0.031 25887 7135 1 18 . 1 1 126 126 VAL H H 126 9.077 9.077 9.093 -0.016 25887 7136 1 18 . 1 1 127 127 THR N N 127 125.497 125.497 121.243 4.254 25887 7137 1 18 . 1 1 127 127 THR HA H 127 5.192 5.192 4.833 0.359 25887 7138 1 18 . 1 1 127 127 THR C C 127 173.510 173.510 173.245 0.265 25887 7139 1 18 . 1 1 127 127 THR CA C 127 61.909 61.909 61.696 0.213 25887 7140 1 18 . 1 1 127 127 THR CB C 127 71.018 71.018 71.164 -0.146 25887 7141 1 18 . 1 1 127 127 THR H H 127 9.031 9.031 8.453 0.578 25887 7142 1 18 . 1 1 128 128 THR N N 128 121.196 121.196 116.773 4.423 25887 7143 1 18 . 1 1 128 128 THR HA H 128 5.500 5.500 5.386 0.114 25887 7144 1 18 . 1 1 128 128 THR C C 128 172.228 172.228 172.747 -0.519 25887 7145 1 18 . 1 1 128 128 THR CA C 128 59.004 59.004 59.263 -0.259 25887 7146 1 18 . 1 1 128 128 THR CB C 128 70.306 70.306 72.058 -1.752 25887 7147 1 18 . 1 1 128 128 THR H H 128 9.625 9.625 8.814 0.811 25887 7148 1 18 . 1 1 129 129 ALA N N 129 124.169 124.169 126.267 -2.098 25887 7149 1 18 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.416 0.084 25887 7150 1 18 . 1 1 129 129 ALA C C 129 176.424 176.424 175.723 0.701 25887 7151 1 18 . 1 1 129 129 ALA CA C 129 50.495 50.495 51.201 -0.706 25887 7152 1 18 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.963 -0.615 25887 7153 1 18 . 1 1 129 129 ALA H H 129 8.539 8.539 8.156 0.383 25887 7154 1 18 . 1 1 130 130 THR N N 130 116.687 116.687 114.453 2.234 25887 7155 1 18 . 1 1 130 130 THR HA H 130 4.890 4.890 4.691 0.199 25887 7156 1 18 . 1 1 130 130 THR C C 130 172.854 172.854 172.376 0.478 25887 7157 1 18 . 1 1 130 130 THR CA C 130 60.678 60.678 60.779 -0.101 25887 7158 1 18 . 1 1 130 130 THR CB C 130 70.352 70.352 71.515 -1.163 25887 7159 1 18 . 1 1 130 130 THR H H 130 8.636 8.636 8.974 -0.338 25887 7160 1 18 . 1 1 131 131 ARG N N 131 124.260 124.260 124.150 0.110 25887 7161 1 18 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.561 0.089 25887 7162 1 18 . 1 1 131 131 ARG C C 131 175.603 175.603 175.085 0.518 25887 7163 1 18 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.391 0.067 25887 7164 1 18 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.806 -1.051 25887 7165 1 18 . 1 1 131 131 ARG H H 131 8.540 8.540 8.506 0.034 25887 7166 1 18 . 1 1 132 132 VAL N N 132 121.349 121.349 121.007 0.342 25887 7167 1 18 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.435 -0.203 25887 7168 1 18 . 1 1 132 132 VAL C C 132 175.727 175.727 174.397 1.330 25887 7169 1 18 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.950 -0.115 25887 7170 1 18 . 1 1 132 132 VAL CB C 132 32.636 32.636 31.714 0.922 25887 7171 1 18 . 1 1 132 132 VAL H H 132 8.430 8.430 8.701 -0.271 25887 7172 1 18 . 1 1 133 133 LEU N N 133 124.364 124.364 127.012 -2.648 25887 7173 1 18 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.634 -0.182 25887 7174 1 18 . 1 1 133 133 LEU C C 133 176.753 176.753 176.131 0.622 25887 7175 1 18 . 1 1 133 133 LEU CA C 133 54.748 54.748 54.996 -0.248 25887 7176 1 18 . 1 1 133 133 LEU CB C 133 41.873 41.873 44.124 -2.251 25887 7177 1 18 . 1 1 133 133 LEU H H 133 8.246 8.246 8.146 0.100 25887 7178 1 18 . 1 1 134 134 SER N N 134 114.791 114.791 119.209 -4.418 25887 7179 1 18 . 1 1 134 134 SER HA H 134 4.490 4.490 4.410 0.080 25887 7180 1 18 . 1 1 134 134 SER C C 134 173.900 173.900 175.512 -1.612 25887 7181 1 18 . 1 1 134 134 SER CA C 134 57.970 57.970 59.898 -1.928 25887 7182 1 18 . 1 1 134 134 SER CB C 134 63.375 63.375 63.836 -0.461 25887 7183 1 18 . 1 1 134 134 SER H H 134 8.078 8.078 8.551 -0.473 25887 7184 1 18 . 1 1 135 135 ASN N N 135 119.634 119.634 117.974 1.660 25887 7185 1 18 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.734 0.043 25887 7186 1 18 . 1 1 135 135 ASN C C 135 175.337 175.337 175.268 0.069 25887 7187 1 18 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.135 -1.065 25887 7188 1 18 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.332 0.014 25887 7189 1 18 . 1 1 135 135 ASN H H 135 8.287 8.287 8.204 0.083 25887 7190 1 18 . 1 1 136 136 THR N N 136 112.097 112.097 112.049 0.048 25887 7191 1 18 . 1 1 136 136 THR HA H 136 4.311 4.311 4.321 -0.010 25887 7192 1 18 . 1 1 136 136 THR C C 136 174.280 174.280 174.465 -0.185 25887 7193 1 18 . 1 1 136 136 THR CA C 136 62.131 62.131 62.191 -0.060 25887 7194 1 18 . 1 1 136 136 THR CB C 136 69.106 69.106 69.498 -0.391 25887 7195 1 18 . 1 1 136 136 THR H H 136 8.085 8.085 7.848 0.237 25887 7196 1 18 . 1 1 137 137 GLU N N 137 120.207 120.207 119.539 0.668 25887 7197 1 18 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.255 0.109 25887 7198 1 18 . 1 1 137 137 GLU C C 137 175.296 175.296 176.265 -0.969 25887 7199 1 18 . 1 1 137 137 GLU CA C 137 55.754 55.754 57.611 -1.857 25887 7200 1 18 . 1 1 137 137 GLU CB C 137 29.189 29.189 29.983 -0.794 25887 7201 1 18 . 1 1 137 137 GLU H H 137 8.035 8.035 8.303 -0.268 25887 7202 1 18 . 1 1 138 138 ASP N N 138 119.742 119.742 117.752 1.990 25887 7203 1 18 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.382 0.223 25887 7204 1 18 . 1 1 138 138 ASP C C 138 174.978 174.978 174.693 0.285 25887 7205 1 18 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.849 -0.969 25887 7206 1 18 . 1 1 138 138 ASP CB C 138 40.235 40.235 40.419 -0.184 25887 7207 1 18 . 1 1 138 138 ASP H H 138 8.097 8.097 8.240 -0.143 25887 7208 1 18 . 1 1 139 139 LEU N N 139 121.008 121.008 114.893 6.115 25887 7209 1 18 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.128 0.649 25887 7210 1 18 . 1 1 139 139 LEU CA C 139 52.011 52.011 54.794 -2.783 25887 7211 1 18 . 1 1 139 139 LEU CB C 139 42.693 42.693 41.539 1.154 25887 7212 1 18 . 1 1 139 139 LEU H H 139 8.021 8.021 7.532 0.489 25887 7213 1 18 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.414 0.220 25887 7214 1 18 . 1 1 140 140 PRO C C 140 175.419 175.419 175.620 -0.201 25887 7215 1 18 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.419 -0.356 25887 7216 1 18 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.044 -0.154 25887 7217 1 18 . 1 1 141 141 LEU N N 141 123.715 123.715 125.799 -2.084 25887 7218 1 18 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.313 -0.137 25887 7219 1 18 . 1 1 141 141 LEU C C 141 175.870 175.870 175.164 0.706 25887 7220 1 18 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.642 0.548 25887 7221 1 18 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.470 -1.792 25887 7222 1 18 . 1 1 141 141 LEU H H 141 8.569 8.569 8.297 0.272 25887 7223 1 18 . 1 1 142 142 VAL N N 142 131.573 131.573 125.638 5.935 25887 7224 1 18 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.689 0.461 25887 7225 1 18 . 1 1 142 142 VAL C C 142 174.198 174.198 174.928 -0.730 25887 7226 1 18 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.005 0.578 25887 7227 1 18 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.293 -0.063 25887 7228 1 18 . 1 1 142 142 VAL H H 142 9.005 9.005 8.152 0.853 25887 7229 1 18 . 1 1 143 143 THR N N 143 121.430 121.430 123.750 -2.320 25887 7230 1 18 . 1 1 143 143 THR HA H 143 4.967 4.967 4.870 0.097 25887 7231 1 18 . 1 1 143 143 THR C C 143 172.546 172.546 173.674 -1.128 25887 7232 1 18 . 1 1 143 143 THR CA C 143 61.343 61.343 61.295 0.048 25887 7233 1 18 . 1 1 143 143 THR CB C 143 69.917 69.917 69.826 0.091 25887 7234 1 18 . 1 1 143 143 THR H H 143 8.744 8.744 8.067 0.677 25887 7235 1 18 . 1 1 144 144 LYS N N 144 126.310 126.310 127.117 -0.807 25887 7236 1 18 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.093 0.496 25887 7237 1 18 . 1 1 144 144 LYS C C 144 175.839 175.839 175.579 0.260 25887 7238 1 18 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.294 -0.626 25887 7239 1 18 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.671 -0.094 25887 7240 1 18 . 1 1 144 144 LYS H H 144 9.397 9.397 8.350 1.047 25887 7241 1 18 . 1 1 145 145 MET N N 145 117.942 117.942 119.469 -1.527 25887 7242 1 18 . 1 1 145 145 MET HA H 145 5.058 5.058 4.999 0.059 25887 7243 1 18 . 1 1 145 145 MET C C 145 174.454 174.454 173.557 0.897 25887 7244 1 18 . 1 1 145 145 MET CA C 145 54.843 54.843 54.316 0.527 25887 7245 1 18 . 1 1 145 145 MET CB C 145 35.827 35.827 35.205 0.622 25887 7246 1 18 . 1 1 145 145 MET H H 145 8.729 8.729 8.536 0.193 25887 7247 1 18 . 1 1 146 146 CYS N N 146 119.031 119.031 117.536 1.495 25887 7248 1 18 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.489 0.019 25887 7249 1 18 . 1 1 146 146 CYS C C 146 175.029 175.029 174.646 0.383 25887 7250 1 18 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.360 -0.691 25887 7251 1 18 . 1 1 146 146 CYS CB C 146 46.298 46.298 31.029 15.270 25887 7252 1 18 . 1 1 146 146 CYS H H 146 8.642 8.642 8.551 0.091 25887 7253 1 18 . 1 1 147 147 HIS N N 147 120.858 120.858 117.118 3.740 25887 7254 1 18 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.741 -0.098 25887 7255 1 18 . 1 1 147 147 HIS C C 147 173.223 173.223 174.416 -1.193 25887 7256 1 18 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.214 1.387 25887 7257 1 18 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.569 0.251 25887 7258 1 18 . 1 1 147 147 HIS H H 147 9.423 9.423 8.452 0.971 25887 7259 1 18 . 1 1 148 148 ILE N N 148 125.370 125.370 123.256 2.114 25887 7260 1 18 . 1 1 148 148 ILE HA H 148 4.370 4.370 3.976 0.394 25887 7261 1 18 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.930 0.608 25887 7262 1 18 . 1 1 148 148 ILE CB C 148 36.096 36.096 35.758 0.338 25887 7263 1 18 . 1 1 148 148 ILE H H 148 8.374 8.374 8.454 -0.080 25887 7264 1 18 . 1 1 149 149 GLY N N 149 118.093 118.093 110.564 7.529 25887 7265 1 18 . 1 1 149 149 GLY C C 149 170.853 170.853 174.002 -3.149 25887 7266 1 18 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.878 -1.337 25887 7267 1 18 . 1 1 149 149 GLY H H 149 8.367 8.367 7.724 0.643 25887 7268 1 18 . 1 1 150 150 CYS N N 150 118.529 118.529 119.886 -1.357 25887 7269 1 18 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.334 0.484 25887 7270 1 18 . 1 1 150 150 CYS CA C 150 50.265 50.265 57.628 -7.363 25887 7271 1 18 . 1 1 150 150 CYS CB C 150 38.752 38.752 25.361 13.391 25887 7272 1 18 . 1 1 150 150 CYS H H 150 8.187 8.187 8.442 -0.255 25887 7273 1 18 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.494 -0.150 25887 7274 1 18 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.641 -0.213 25887 7275 1 18 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.363 -0.691 25887 7276 1 18 . 1 1 152 152 ASP N N 152 117.148 117.148 118.036 -0.888 25887 7277 1 18 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.620 0.020 25887 7278 1 18 . 1 1 152 152 ASP C C 152 175.624 175.624 176.309 -0.685 25887 7279 1 18 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.215 -2.805 25887 7280 1 18 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.447 0.245 25887 7281 1 18 . 1 1 152 152 ASP H H 152 7.668 7.668 8.248 -0.580 25887 7282 1 18 . 1 1 153 153 ILE N N 153 119.719 119.719 120.342 -0.623 25887 7283 1 18 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.915 -0.002 25887 7284 1 18 . 1 1 153 153 ILE CA C 153 64.996 64.996 61.045 3.951 25887 7285 1 18 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.293 -1.299 25887 7286 1 18 . 1 1 153 153 ILE H H 153 8.327 8.327 7.770 0.557 25887 7287 1 18 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.352 0.012 25887 7288 1 18 . 1 1 154 154 PRO C C 154 178.333 178.333 178.347 -0.014 25887 7289 1 18 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.478 0.525 25887 7290 1 18 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.862 -1.085 25887 7291 1 18 . 1 1 155 155 SER N N 155 112.667 112.667 115.575 -2.908 25887 7292 1 18 . 1 1 155 155 SER HA H 155 4.303 4.303 4.350 -0.047 25887 7293 1 18 . 1 1 155 155 SER C C 155 175.450 175.450 175.166 0.284 25887 7294 1 18 . 1 1 155 155 SER CA C 155 60.312 60.312 60.767 -0.455 25887 7295 1 18 . 1 1 155 155 SER CB C 155 62.816 62.816 63.060 -0.244 25887 7296 1 18 . 1 1 155 155 SER H H 155 7.883 7.883 8.426 -0.543 25887 7297 1 18 . 1 1 156 156 LEU N N 156 120.903 120.903 116.495 4.408 25887 7298 1 18 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.783 -0.478 25887 7299 1 18 . 1 1 156 156 LEU C C 156 177.974 177.974 175.647 2.327 25887 7300 1 18 . 1 1 156 156 LEU CA C 156 55.516 55.516 53.634 1.882 25887 7301 1 18 . 1 1 156 156 LEU CB C 156 42.080 42.080 41.958 0.122 25887 7302 1 18 . 1 1 156 156 LEU H H 156 7.770 7.770 7.354 0.416 25887 7303 1 18 . 1 1 157 157 GLY N N 157 105.004 105.004 107.855 -2.851 25887 7304 1 18 . 1 1 157 157 GLY C C 157 174.321 174.321 174.528 -0.207 25887 7305 1 18 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.377 0.811 25887 7306 1 18 . 1 1 157 157 GLY H H 157 7.666 7.666 7.302 0.364 25887 7307 1 18 . 1 1 158 158 LEU N N 158 119.534 119.534 120.123 -0.589 25887 7308 1 18 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.441 0.091 25887 7309 1 18 . 1 1 158 158 LEU C C 158 176.712 176.712 177.110 -0.398 25887 7310 1 18 . 1 1 158 158 LEU CA C 158 53.760 53.760 56.269 -2.509 25887 7311 1 18 . 1 1 158 158 LEU CB C 158 42.761 42.761 41.943 0.818 25887 7312 1 18 . 1 1 158 158 LEU H H 158 8.203 8.203 8.140 0.063 25887 7313 1 18 . 1 1 159 159 GLY N N 159 108.700 108.700 106.269 2.431 25887 7314 1 18 . 1 1 159 159 GLY CA C 159 44.416 44.416 44.165 0.251 25887 7315 1 18 . 1 1 159 159 GLY H H 159 8.055 8.055 7.607 0.448 25887 7316 1 18 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.312 0.064 25887 7317 1 18 . 1 1 160 160 PRO C C 160 177.112 177.112 176.885 0.227 25887 7318 1 18 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.788 -0.477 25887 7319 1 18 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.835 -0.273 25887 7320 1 18 . 1 1 161 161 TYR N N 161 119.287 119.287 118.647 0.640 25887 7321 1 18 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.616 0.202 25887 7322 1 18 . 1 1 161 161 TYR CA C 161 56.419 56.419 56.286 0.133 25887 7323 1 18 . 1 1 161 161 TYR CB C 161 36.961 36.961 36.269 0.692 25887 7324 1 18 . 1 1 161 161 TYR H H 161 8.130 8.130 7.666 0.464 25887 7325 1 18 . 1 1 162 162 VAL HA H 162 4.733 4.733 3.742 0.991 25887 7326 1 18 . 1 1 162 162 VAL CA C 162 60.346 60.346 64.598 -4.252 25887 7327 1 18 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.245 6.162 25887 7328 1 18 . 1 1 163 163 SER N N 163 119.428 119.428 112.666 6.762 25887 7329 1 18 . 1 1 163 163 SER HA H 163 4.788 4.788 4.157 0.631 25887 7330 1 18 . 1 1 163 163 SER C C 163 173.141 173.141 172.537 0.604 25887 7331 1 18 . 1 1 163 163 SER CA C 163 56.672 56.672 59.457 -2.785 25887 7332 1 18 . 1 1 163 163 SER CB C 163 64.650 64.650 62.685 1.965 25887 7333 1 18 . 1 1 163 163 SER H H 163 8.641 8.641 8.213 0.428 25887 7334 1 18 . 1 1 164 164 ILE N N 164 123.448 123.448 122.592 0.856 25887 7335 1 18 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.988 -0.242 25887 7336 1 18 . 1 1 164 164 ILE CA C 164 60.629 60.629 59.589 1.040 25887 7337 1 18 . 1 1 164 164 ILE CB C 164 41.311 41.311 42.285 -0.974 25887 7338 1 18 . 1 1 164 164 ILE H H 164 8.496 8.496 8.137 0.359 25887 7339 1 18 . 1 1 165 165 ALA N N 165 129.783 129.783 129.894 -0.111 25887 7340 1 18 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.815 0.055 25887 7341 1 18 . 1 1 165 165 ALA C C 165 176.219 176.219 175.522 0.697 25887 7342 1 18 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.731 0.049 25887 7343 1 18 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.851 0.497 25887 7344 1 18 . 1 1 165 165 ALA H H 165 8.941 8.941 8.834 0.107 25887 7345 1 18 . 1 1 166 166 CYS N N 166 119.842 119.842 122.266 -2.424 25887 7346 1 18 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.046 0.506 25887 7347 1 18 . 1 1 166 166 CYS C C 166 172.289 172.289 174.731 -2.442 25887 7348 1 18 . 1 1 166 166 CYS CA C 166 53.119 53.119 58.276 -5.157 25887 7349 1 18 . 1 1 166 166 CYS CB C 166 48.826 48.826 27.486 21.340 25887 7350 1 18 . 1 1 166 166 CYS H H 166 9.049 9.049 8.614 0.435 25887 7351 1 18 . 1 1 167 167 CYS N N 167 118.569 118.569 123.473 -4.904 25887 7352 1 18 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.868 0.368 25887 7353 1 18 . 1 1 167 167 CYS C C 167 173.562 173.562 173.135 0.427 25887 7354 1 18 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.884 -2.743 25887 7355 1 18 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.401 15.062 25887 7356 1 18 . 1 1 167 167 CYS H H 167 9.297 9.297 8.922 0.375 25887 7357 1 18 . 1 1 168 168 GLN N N 168 118.916 118.916 120.178 -1.262 25887 7358 1 18 . 1 1 168 168 GLN HA H 168 4.830 4.830 3.919 0.911 25887 7359 1 18 . 1 1 168 168 GLN C C 168 174.362 174.362 174.581 -0.219 25887 7360 1 18 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.384 0.601 25887 7361 1 18 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.379 4.309 25887 7362 1 18 . 1 1 168 168 GLN H H 168 9.105 9.105 8.447 0.658 25887 7363 1 18 . 1 1 169 169 THR N N 169 110.926 110.926 112.742 -1.816 25887 7364 1 18 . 1 1 169 169 THR HA H 169 4.813 4.813 4.486 0.327 25887 7365 1 18 . 1 1 169 169 THR C C 169 173.859 173.859 174.180 -0.321 25887 7366 1 18 . 1 1 169 169 THR CA C 169 60.038 60.038 59.819 0.219 25887 7367 1 18 . 1 1 169 169 THR CB C 169 71.377 71.377 71.448 -0.071 25887 7368 1 18 . 1 1 169 169 THR H H 169 7.540 7.540 7.329 0.211 25887 7369 1 18 . 1 1 170 170 SER N N 170 117.386 117.386 120.208 -2.822 25887 7370 1 18 . 1 1 170 170 SER HA H 170 4.850 4.850 4.292 0.558 25887 7371 1 18 . 1 1 170 170 SER C C 170 175.757 175.757 175.086 0.671 25887 7372 1 18 . 1 1 170 170 SER CA C 170 60.987 60.987 59.305 1.682 25887 7373 1 18 . 1 1 170 170 SER CB C 170 63.104 63.104 63.274 -0.170 25887 7374 1 18 . 1 1 170 170 SER H H 170 8.814 8.814 8.544 0.270 25887 7375 1 18 . 1 1 171 171 LEU N N 171 116.724 116.724 118.660 -1.936 25887 7376 1 18 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.628 0.032 25887 7377 1 18 . 1 1 171 171 LEU C C 171 176.055 176.055 176.871 -0.816 25887 7378 1 18 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.297 0.728 25887 7379 1 18 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.813 -1.525 25887 7380 1 18 . 1 1 171 171 LEU H H 171 9.570 9.570 8.637 0.933 25887 7381 1 18 . 1 1 172 172 CYS N N 172 113.842 113.842 113.224 0.618 25887 7382 1 18 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.479 0.135 25887 7383 1 18 . 1 1 172 172 CYS C C 172 174.424 174.424 174.993 -0.569 25887 7384 1 18 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.499 0.311 25887 7385 1 18 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.064 19.507 25887 7386 1 18 . 1 1 172 172 CYS H H 172 8.221 8.221 7.689 0.532 25887 7387 1 18 . 1 1 173 173 ASN N N 173 121.019 121.019 118.390 2.629 25887 7388 1 18 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.812 -0.055 25887 7389 1 18 . 1 1 173 173 ASN C C 173 174.239 174.239 174.947 -0.708 25887 7390 1 18 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.023 -1.258 25887 7391 1 18 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.703 -3.302 25887 7392 1 18 . 1 1 173 173 ASN H H 173 8.458 8.458 8.071 0.387 25887 7393 1 18 . 1 1 174 174 HIS N N 174 115.973 115.973 119.104 -3.131 25887 7394 1 18 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.613 -0.301 25887 7395 1 18 . 1 1 174 174 HIS C C 174 173.213 173.213 174.908 -1.695 25887 7396 1 18 . 1 1 174 174 HIS CA C 174 53.844 53.844 54.944 -1.100 25887 7397 1 18 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.413 -1.303 25887 7398 1 18 . 1 1 174 174 HIS H H 174 7.170 7.170 7.430 -0.260 25887 7399 1 19 . 1 1 101 101 ILE N N 101 123.543 123.543 117.631 5.912 25887 7400 1 19 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.919 -0.311 25887 7401 1 19 . 1 1 101 101 ILE C C 101 172.659 172.659 173.626 -0.967 25887 7402 1 19 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.708 0.946 25887 7403 1 19 . 1 1 101 101 ILE CB C 101 41.301 41.301 41.379 -0.078 25887 7404 1 19 . 1 1 101 101 ILE H H 101 8.681 8.681 8.345 0.336 25887 7405 1 19 . 1 1 102 102 TRP N N 102 123.817 123.817 121.366 2.451 25887 7406 1 19 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.273 -0.175 25887 7407 1 19 . 1 1 102 102 TRP C C 102 175.757 175.757 175.727 0.030 25887 7408 1 19 . 1 1 102 102 TRP CA C 102 55.779 55.779 55.473 0.306 25887 7409 1 19 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.825 -0.619 25887 7410 1 19 . 1 1 102 102 TRP H H 102 8.008 8.008 8.474 -0.466 25887 7411 1 19 . 1 1 103 103 CYS N N 103 116.424 116.424 119.666 -3.242 25887 7412 1 19 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.784 0.311 25887 7413 1 19 . 1 1 103 103 CYS C C 103 175.070 175.070 173.002 2.068 25887 7414 1 19 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.192 -5.181 25887 7415 1 19 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.634 10.310 25887 7416 1 19 . 1 1 103 103 CYS H H 103 8.481 8.481 8.852 -0.371 25887 7417 1 19 . 1 1 104 104 HIS N N 104 123.159 123.159 119.300 3.859 25887 7418 1 19 . 1 1 104 104 HIS HA H 104 4.596 4.596 4.977 -0.381 25887 7419 1 19 . 1 1 104 104 HIS C C 104 176.075 176.075 175.474 0.601 25887 7420 1 19 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.229 3.504 25887 7421 1 19 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.758 1.226 25887 7422 1 19 . 1 1 104 104 HIS H H 104 9.364 9.364 8.579 0.785 25887 7423 1 19 . 1 1 105 105 GLN N N 105 123.570 123.570 122.981 0.589 25887 7424 1 19 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.745 0.233 25887 7425 1 19 . 1 1 105 105 GLN C C 105 173.623 173.623 175.463 -1.840 25887 7426 1 19 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.026 -0.657 25887 7427 1 19 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.420 1.362 25887 7428 1 19 . 1 1 105 105 GLN H H 105 8.108 8.108 8.067 0.041 25887 7429 1 19 . 1 1 106 106 CYS N N 106 118.604 118.604 119.369 -0.765 25887 7430 1 19 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.694 0.257 25887 7431 1 19 . 1 1 106 106 CYS C C 106 171.120 171.120 176.357 -5.237 25887 7432 1 19 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.673 -4.766 25887 7433 1 19 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.476 11.164 25887 7434 1 19 . 1 1 106 106 CYS H H 106 8.458 8.458 8.369 0.089 25887 7435 1 19 . 1 1 107 107 THR N N 107 113.541 113.541 116.927 -3.386 25887 7436 1 19 . 1 1 107 107 THR HA H 107 5.500 5.500 4.070 1.430 25887 7437 1 19 . 1 1 107 107 THR C C 107 173.592 173.592 174.803 -1.211 25887 7438 1 19 . 1 1 107 107 THR CA C 107 60.161 60.161 65.886 -5.725 25887 7439 1 19 . 1 1 107 107 THR CB C 107 71.879 71.879 69.106 2.773 25887 7440 1 19 . 1 1 107 107 THR H H 107 8.400 8.400 8.792 -0.392 25887 7441 1 19 . 1 1 108 108 GLY N N 108 110.549 110.549 106.506 4.043 25887 7442 1 19 . 1 1 108 108 GLY C C 108 171.694 171.694 172.942 -1.248 25887 7443 1 19 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.423 1.024 25887 7444 1 19 . 1 1 108 108 GLY H H 108 8.817 8.817 7.206 1.611 25887 7445 1 19 . 1 1 109 109 PHE N N 109 120.830 120.830 120.242 0.588 25887 7446 1 19 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.170 0.954 25887 7447 1 19 . 1 1 109 109 PHE C C 109 177.225 177.225 176.093 1.132 25887 7448 1 19 . 1 1 109 109 PHE CA C 109 58.438 58.438 58.013 0.425 25887 7449 1 19 . 1 1 109 109 PHE CB C 109 38.408 38.408 36.083 2.325 25887 7450 1 19 . 1 1 109 109 PHE H H 109 8.924 8.924 8.599 0.325 25887 7451 1 19 . 1 1 110 110 GLY N N 110 113.069 113.069 104.886 8.183 25887 7452 1 19 . 1 1 110 110 GLY C C 110 172.546 172.546 175.004 -2.458 25887 7453 1 19 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.173 0.535 25887 7454 1 19 . 1 1 110 110 GLY H H 110 9.442 9.442 7.839 1.603 25887 7455 1 19 . 1 1 111 111 GLY N N 111 106.335 106.335 106.865 -0.530 25887 7456 1 19 . 1 1 111 111 GLY C C 111 171.664 171.664 174.768 -3.104 25887 7457 1 19 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.537 -0.281 25887 7458 1 19 . 1 1 111 111 GLY H H 111 7.095 7.095 7.960 -0.865 25887 7459 1 19 . 1 1 112 112 CYS N N 112 111.804 111.804 119.084 -7.280 25887 7460 1 19 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.245 0.511 25887 7461 1 19 . 1 1 112 112 CYS C C 112 171.027 171.027 174.029 -3.002 25887 7462 1 19 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.839 -2.716 25887 7463 1 19 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.116 14.674 25887 7464 1 19 . 1 1 112 112 CYS H H 112 8.477 8.477 7.621 0.856 25887 7465 1 19 . 1 1 113 113 SER N N 113 116.083 116.083 121.440 -5.357 25887 7466 1 19 . 1 1 113 113 SER HA H 113 4.603 4.603 4.185 0.418 25887 7467 1 19 . 1 1 113 113 SER C C 113 174.536 174.536 172.800 1.736 25887 7468 1 19 . 1 1 113 113 SER CA C 113 56.493 56.493 57.473 -0.980 25887 7469 1 19 . 1 1 113 113 SER CB C 113 65.160 65.160 64.703 0.457 25887 7470 1 19 . 1 1 113 113 SER H H 113 8.693 8.693 8.134 0.559 25887 7471 1 19 . 1 1 114 114 HIS N N 114 126.668 126.668 120.472 6.196 25887 7472 1 19 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.618 -0.050 25887 7473 1 19 . 1 1 114 114 HIS C C 114 172.515 172.515 174.317 -1.802 25887 7474 1 19 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.179 0.708 25887 7475 1 19 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.352 -5.076 25887 7476 1 19 . 1 1 114 114 HIS H H 114 11.587 11.587 7.798 3.789 25887 7477 1 19 . 1 1 115 115 GLY N N 115 119.128 119.128 112.554 6.574 25887 7478 1 19 . 1 1 115 115 GLY C C 115 173.018 173.018 173.857 -0.839 25887 7479 1 19 . 1 1 115 115 GLY CA C 115 46.457 46.457 46.159 0.298 25887 7480 1 19 . 1 1 115 115 GLY H H 115 9.361 9.361 8.925 0.436 25887 7481 1 19 . 1 1 116 116 SER N N 116 118.656 118.656 119.494 -0.838 25887 7482 1 19 . 1 1 116 116 SER HA H 116 4.451 4.451 4.790 -0.339 25887 7483 1 19 . 1 1 116 116 SER C C 116 171.848 171.848 172.691 -0.843 25887 7484 1 19 . 1 1 116 116 SER CA C 116 57.256 57.256 56.111 1.145 25887 7485 1 19 . 1 1 116 116 SER CB C 116 64.697 64.697 65.231 -0.534 25887 7486 1 19 . 1 1 116 116 SER H H 116 8.151 8.151 8.894 -0.743 25887 7487 1 19 . 1 1 117 117 ARG N N 117 124.682 124.682 120.729 3.953 25887 7488 1 19 . 1 1 117 117 ARG HA H 117 2.954 2.954 2.801 0.153 25887 7489 1 19 . 1 1 117 117 ARG C C 117 176.671 176.671 175.500 1.171 25887 7490 1 19 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.212 1.543 25887 7491 1 19 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.317 0.800 25887 7492 1 19 . 1 1 117 117 ARG H H 117 7.629 7.629 7.611 0.018 25887 7493 1 19 . 1 1 118 118 CYS N N 118 122.932 122.932 122.026 0.906 25887 7494 1 19 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.399 0.475 25887 7495 1 19 . 1 1 118 118 CYS C C 118 174.577 174.577 174.266 0.311 25887 7496 1 19 . 1 1 118 118 CYS CA C 118 52.996 52.996 58.882 -5.886 25887 7497 1 19 . 1 1 118 118 CYS CB C 118 39.297 39.297 29.305 9.992 25887 7498 1 19 . 1 1 118 118 CYS H H 118 7.852 7.852 7.793 0.059 25887 7499 1 19 . 1 1 119 119 LEU N N 119 120.027 120.027 122.434 -2.407 25887 7500 1 19 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.124 0.177 25887 7501 1 19 . 1 1 119 119 LEU C C 119 178.394 178.394 178.062 0.332 25887 7502 1 19 . 1 1 119 119 LEU CA C 119 55.216 55.216 55.088 0.128 25887 7503 1 19 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.514 -0.823 25887 7504 1 19 . 1 1 119 119 LEU H H 119 7.980 7.980 8.488 -0.508 25887 7505 1 19 . 1 1 120 120 ARG N N 120 120.159 120.159 122.623 -2.464 25887 7506 1 19 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.953 0.085 25887 7507 1 19 . 1 1 120 120 ARG C C 120 175.624 175.624 176.856 -1.232 25887 7508 1 19 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.964 -0.548 25887 7509 1 19 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.980 0.008 25887 7510 1 19 . 1 1 120 120 ARG H H 120 8.523 8.523 8.666 -0.143 25887 7511 1 19 . 1 1 121 121 ASP N N 121 115.199 115.199 117.189 -1.990 25887 7512 1 19 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.473 0.057 25887 7513 1 19 . 1 1 121 121 ASP C C 121 175.593 175.593 175.732 -0.139 25887 7514 1 19 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.158 -0.734 25887 7515 1 19 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.041 -0.007 25887 7516 1 19 . 1 1 121 121 ASP H H 121 8.252 8.252 8.212 0.040 25887 7517 1 19 . 1 1 122 122 SER N N 122 114.383 114.383 114.280 0.103 25887 7518 1 19 . 1 1 122 122 SER HA H 122 4.124 4.124 4.359 -0.235 25887 7519 1 19 . 1 1 122 122 SER C C 122 173.264 173.264 174.306 -1.042 25887 7520 1 19 . 1 1 122 122 SER CA C 122 60.703 60.703 58.402 2.301 25887 7521 1 19 . 1 1 122 122 SER CB C 122 62.879 62.879 62.838 0.041 25887 7522 1 19 . 1 1 122 122 SER H H 122 7.612 7.612 7.675 -0.063 25887 7523 1 19 . 1 1 123 123 THR N N 123 111.852 111.852 116.541 -4.689 25887 7524 1 19 . 1 1 123 123 THR HA H 123 4.519 4.519 4.460 0.059 25887 7525 1 19 . 1 1 123 123 THR C C 123 173.356 173.356 173.860 -0.504 25887 7526 1 19 . 1 1 123 123 THR CA C 123 61.888 61.888 60.880 1.008 25887 7527 1 19 . 1 1 123 123 THR CB C 123 70.830 70.830 69.029 1.801 25887 7528 1 19 . 1 1 123 123 THR H H 123 8.413 8.413 7.894 0.519 25887 7529 1 19 . 1 1 124 124 HIS N N 124 120.615 120.615 118.156 2.459 25887 7530 1 19 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.887 0.269 25887 7531 1 19 . 1 1 124 124 HIS C C 124 174.177 174.177 173.999 0.178 25887 7532 1 19 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.957 1.043 25887 7533 1 19 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.968 0.776 25887 7534 1 19 . 1 1 124 124 HIS H H 124 8.630 8.630 7.540 1.090 25887 7535 1 19 . 1 1 125 125 CYS N N 125 115.755 115.755 117.839 -2.084 25887 7536 1 19 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.274 0.442 25887 7537 1 19 . 1 1 125 125 CYS C C 125 174.906 174.906 173.343 1.563 25887 7538 1 19 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.847 -5.675 25887 7539 1 19 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.902 6.582 25887 7540 1 19 . 1 1 125 125 CYS H H 125 9.102 9.102 8.605 0.497 25887 7541 1 19 . 1 1 126 126 VAL N N 126 121.353 121.353 119.442 1.911 25887 7542 1 19 . 1 1 126 126 VAL HA H 126 5.199 5.199 5.227 -0.028 25887 7543 1 19 . 1 1 126 126 VAL C C 126 176.004 176.004 175.028 0.976 25887 7544 1 19 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.526 0.029 25887 7545 1 19 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.964 -0.359 25887 7546 1 19 . 1 1 126 126 VAL H H 126 9.077 9.077 9.198 -0.121 25887 7547 1 19 . 1 1 127 127 THR N N 127 125.497 125.497 118.664 6.833 25887 7548 1 19 . 1 1 127 127 THR HA H 127 5.192 5.192 5.163 0.029 25887 7549 1 19 . 1 1 127 127 THR C C 127 173.510 173.510 173.099 0.411 25887 7550 1 19 . 1 1 127 127 THR CA C 127 61.909 61.909 62.022 -0.113 25887 7551 1 19 . 1 1 127 127 THR CB C 127 71.018 71.018 72.391 -1.373 25887 7552 1 19 . 1 1 127 127 THR H H 127 9.031 9.031 8.410 0.621 25887 7553 1 19 . 1 1 128 128 THR N N 128 121.196 121.196 116.774 4.422 25887 7554 1 19 . 1 1 128 128 THR HA H 128 5.500 5.500 5.320 0.180 25887 7555 1 19 . 1 1 128 128 THR C C 128 172.228 172.228 172.564 -0.336 25887 7556 1 19 . 1 1 128 128 THR CA C 128 59.004 59.004 60.171 -1.167 25887 7557 1 19 . 1 1 128 128 THR CB C 128 70.306 70.306 71.573 -1.267 25887 7558 1 19 . 1 1 128 128 THR H H 128 9.625 9.625 8.497 1.128 25887 7559 1 19 . 1 1 129 129 ALA N N 129 124.169 124.169 129.167 -4.998 25887 7560 1 19 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.393 0.107 25887 7561 1 19 . 1 1 129 129 ALA C C 129 176.424 176.424 176.518 -0.094 25887 7562 1 19 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.478 0.016 25887 7563 1 19 . 1 1 129 129 ALA CB C 129 21.348 21.348 20.184 1.164 25887 7564 1 19 . 1 1 129 129 ALA H H 129 8.539 8.539 8.226 0.313 25887 7565 1 19 . 1 1 130 130 THR N N 130 116.687 116.687 117.035 -0.348 25887 7566 1 19 . 1 1 130 130 THR HA H 130 4.890 4.890 4.661 0.229 25887 7567 1 19 . 1 1 130 130 THR C C 130 172.854 172.854 172.705 0.149 25887 7568 1 19 . 1 1 130 130 THR CA C 130 60.678 60.678 61.045 -0.367 25887 7569 1 19 . 1 1 130 130 THR CB C 130 70.352 70.352 71.203 -0.851 25887 7570 1 19 . 1 1 130 130 THR H H 130 8.636 8.636 8.850 -0.214 25887 7571 1 19 . 1 1 131 131 ARG N N 131 124.260 124.260 119.160 5.100 25887 7572 1 19 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.340 0.310 25887 7573 1 19 . 1 1 131 131 ARG C C 131 175.603 175.603 176.046 -0.443 25887 7574 1 19 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.995 -0.537 25887 7575 1 19 . 1 1 131 131 ARG CB C 131 30.755 30.755 30.396 0.359 25887 7576 1 19 . 1 1 131 131 ARG H H 131 8.540 8.540 8.231 0.309 25887 7577 1 19 . 1 1 132 132 VAL N N 132 121.349 121.349 120.146 1.203 25887 7578 1 19 . 1 1 132 132 VAL HA H 132 4.232 4.232 3.862 0.370 25887 7579 1 19 . 1 1 132 132 VAL C C 132 175.727 175.727 175.352 0.375 25887 7580 1 19 . 1 1 132 132 VAL CA C 132 61.835 61.835 63.132 -1.296 25887 7581 1 19 . 1 1 132 132 VAL CB C 132 32.636 32.636 30.582 2.054 25887 7582 1 19 . 1 1 132 132 VAL H H 132 8.430 8.430 8.199 0.231 25887 7583 1 19 . 1 1 133 133 LEU N N 133 124.364 124.364 120.146 4.218 25887 7584 1 19 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.358 0.094 25887 7585 1 19 . 1 1 133 133 LEU C C 133 176.753 176.753 176.978 -0.225 25887 7586 1 19 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.062 -1.314 25887 7587 1 19 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.927 -1.054 25887 7588 1 19 . 1 1 133 133 LEU H H 133 8.246 8.246 7.918 0.328 25887 7589 1 19 . 1 1 134 134 SER N N 134 114.791 114.791 113.616 1.175 25887 7590 1 19 . 1 1 134 134 SER HA H 134 4.490 4.490 4.246 0.244 25887 7591 1 19 . 1 1 134 134 SER C C 134 173.900 173.900 174.486 -0.586 25887 7592 1 19 . 1 1 134 134 SER CA C 134 57.970 57.970 59.956 -1.986 25887 7593 1 19 . 1 1 134 134 SER CB C 134 63.375 63.375 61.961 1.414 25887 7594 1 19 . 1 1 134 134 SER H H 134 8.078 8.078 8.696 -0.618 25887 7595 1 19 . 1 1 135 135 ASN N N 135 119.634 119.634 116.824 2.810 25887 7596 1 19 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.819 -0.042 25887 7597 1 19 . 1 1 135 135 ASN C C 135 175.337 175.337 176.121 -0.784 25887 7598 1 19 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.455 -1.385 25887 7599 1 19 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.298 0.048 25887 7600 1 19 . 1 1 135 135 ASN H H 135 8.287 8.287 8.324 -0.037 25887 7601 1 19 . 1 1 136 136 THR N N 136 112.097 112.097 112.219 -0.122 25887 7602 1 19 . 1 1 136 136 THR HA H 136 4.311 4.311 4.433 -0.122 25887 7603 1 19 . 1 1 136 136 THR C C 136 174.280 174.280 174.283 -0.003 25887 7604 1 19 . 1 1 136 136 THR CA C 136 62.131 62.131 63.304 -1.173 25887 7605 1 19 . 1 1 136 136 THR CB C 136 69.106 69.106 69.626 -0.520 25887 7606 1 19 . 1 1 136 136 THR H H 136 8.085 8.085 7.885 0.200 25887 7607 1 19 . 1 1 137 137 GLU N N 137 120.207 120.207 119.422 0.785 25887 7608 1 19 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.518 -0.154 25887 7609 1 19 . 1 1 137 137 GLU C C 137 175.296 175.296 174.578 0.718 25887 7610 1 19 . 1 1 137 137 GLU CA C 137 55.754 55.754 55.686 0.068 25887 7611 1 19 . 1 1 137 137 GLU CB C 137 29.189 29.189 32.201 -3.012 25887 7612 1 19 . 1 1 137 137 GLU H H 137 8.035 8.035 7.559 0.476 25887 7613 1 19 . 1 1 138 138 ASP N N 138 119.742 119.742 119.846 -0.104 25887 7614 1 19 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.561 0.044 25887 7615 1 19 . 1 1 138 138 ASP C C 138 174.978 174.978 176.547 -1.569 25887 7616 1 19 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.009 -1.129 25887 7617 1 19 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.407 -1.172 25887 7618 1 19 . 1 1 138 138 ASP H H 138 8.097 8.097 8.403 -0.306 25887 7619 1 19 . 1 1 139 139 LEU N N 139 121.008 121.008 120.564 0.444 25887 7620 1 19 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.595 0.182 25887 7621 1 19 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.455 -0.444 25887 7622 1 19 . 1 1 139 139 LEU CB C 139 42.693 42.693 42.364 0.330 25887 7623 1 19 . 1 1 139 139 LEU H H 139 8.021 8.021 7.500 0.521 25887 7624 1 19 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.435 0.199 25887 7625 1 19 . 1 1 140 140 PRO C C 140 175.419 175.419 175.606 -0.187 25887 7626 1 19 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.356 -0.293 25887 7627 1 19 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.304 -0.414 25887 7628 1 19 . 1 1 141 141 LEU N N 141 123.715 123.715 123.908 -0.193 25887 7629 1 19 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.427 -0.251 25887 7630 1 19 . 1 1 141 141 LEU C C 141 175.870 175.870 175.462 0.408 25887 7631 1 19 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.612 0.578 25887 7632 1 19 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.678 -2.000 25887 7633 1 19 . 1 1 141 141 LEU H H 141 8.569 8.569 8.015 0.554 25887 7634 1 19 . 1 1 142 142 VAL N N 142 131.573 131.573 126.113 5.460 25887 7635 1 19 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.732 0.418 25887 7636 1 19 . 1 1 142 142 VAL C C 142 174.198 174.198 174.926 -0.728 25887 7637 1 19 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.617 -0.034 25887 7638 1 19 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.688 -0.458 25887 7639 1 19 . 1 1 142 142 VAL H H 142 9.005 9.005 8.175 0.830 25887 7640 1 19 . 1 1 143 143 THR N N 143 121.430 121.430 124.273 -2.843 25887 7641 1 19 . 1 1 143 143 THR HA H 143 4.967 4.967 4.709 0.258 25887 7642 1 19 . 1 1 143 143 THR C C 143 172.546 172.546 173.540 -0.994 25887 7643 1 19 . 1 1 143 143 THR CA C 143 61.343 61.343 61.944 -0.602 25887 7644 1 19 . 1 1 143 143 THR CB C 143 69.917 69.917 69.614 0.303 25887 7645 1 19 . 1 1 143 143 THR H H 143 8.744 8.744 8.318 0.426 25887 7646 1 19 . 1 1 144 144 LYS N N 144 126.310 126.310 127.300 -0.990 25887 7647 1 19 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.326 0.263 25887 7648 1 19 . 1 1 144 144 LYS C C 144 175.839 175.839 175.937 -0.098 25887 7649 1 19 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.739 -0.071 25887 7650 1 19 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.900 -0.323 25887 7651 1 19 . 1 1 144 144 LYS H H 144 9.397 9.397 8.271 1.126 25887 7652 1 19 . 1 1 145 145 MET N N 145 117.942 117.942 117.696 0.246 25887 7653 1 19 . 1 1 145 145 MET HA H 145 5.058 5.058 4.957 0.101 25887 7654 1 19 . 1 1 145 145 MET C C 145 174.454 174.454 173.250 1.204 25887 7655 1 19 . 1 1 145 145 MET CA C 145 54.843 54.843 54.027 0.816 25887 7656 1 19 . 1 1 145 145 MET CB C 145 35.827 35.827 35.586 0.241 25887 7657 1 19 . 1 1 145 145 MET H H 145 8.729 8.729 8.829 -0.100 25887 7658 1 19 . 1 1 146 146 CYS N N 146 119.031 119.031 118.054 0.977 25887 7659 1 19 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.392 0.116 25887 7660 1 19 . 1 1 146 146 CYS C C 146 175.029 175.029 174.337 0.692 25887 7661 1 19 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.914 -1.246 25887 7662 1 19 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.939 15.359 25887 7663 1 19 . 1 1 146 146 CYS H H 146 8.642 8.642 8.538 0.104 25887 7664 1 19 . 1 1 147 147 HIS N N 147 120.858 120.858 119.533 1.325 25887 7665 1 19 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.765 -0.122 25887 7666 1 19 . 1 1 147 147 HIS C C 147 173.223 173.223 174.578 -1.355 25887 7667 1 19 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.700 1.901 25887 7668 1 19 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.423 0.397 25887 7669 1 19 . 1 1 147 147 HIS H H 147 9.423 9.423 8.606 0.817 25887 7670 1 19 . 1 1 148 148 ILE N N 148 125.370 125.370 121.178 4.192 25887 7671 1 19 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.054 0.316 25887 7672 1 19 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.576 0.962 25887 7673 1 19 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.005 0.091 25887 7674 1 19 . 1 1 148 148 ILE H H 148 8.374 8.374 7.999 0.375 25887 7675 1 19 . 1 1 149 149 GLY N N 149 118.093 118.093 109.663 8.430 25887 7676 1 19 . 1 1 149 149 GLY C C 149 170.853 170.853 172.619 -1.766 25887 7677 1 19 . 1 1 149 149 GLY CA C 149 43.541 43.541 44.395 -0.854 25887 7678 1 19 . 1 1 149 149 GLY H H 149 8.367 8.367 7.740 0.626 25887 7679 1 19 . 1 1 150 150 CYS N N 150 118.529 118.529 120.560 -2.031 25887 7680 1 19 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.952 -0.134 25887 7681 1 19 . 1 1 150 150 CYS CA C 150 50.265 50.265 55.778 -5.513 25887 7682 1 19 . 1 1 150 150 CYS CB C 150 38.752 38.752 25.847 12.905 25887 7683 1 19 . 1 1 150 150 CYS H H 150 8.187 8.187 8.371 -0.184 25887 7684 1 19 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.452 -0.108 25887 7685 1 19 . 1 1 151 151 PRO CA C 151 62.428 62.428 63.726 -1.298 25887 7686 1 19 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.272 -0.600 25887 7687 1 19 . 1 1 152 152 ASP N N 152 117.148 117.148 115.044 2.104 25887 7688 1 19 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.237 0.403 25887 7689 1 19 . 1 1 152 152 ASP C C 152 175.624 175.624 174.813 0.811 25887 7690 1 19 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.637 -3.227 25887 7691 1 19 . 1 1 152 152 ASP CB C 152 41.691 41.691 40.463 1.228 25887 7692 1 19 . 1 1 152 152 ASP H H 152 7.668 7.668 8.365 -0.697 25887 7693 1 19 . 1 1 153 153 ILE N N 153 119.719 119.719 118.364 1.355 25887 7694 1 19 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.970 -0.057 25887 7695 1 19 . 1 1 153 153 ILE CA C 153 64.996 64.996 60.194 4.803 25887 7696 1 19 . 1 1 153 153 ILE CB C 153 35.994 35.994 36.392 -0.398 25887 7697 1 19 . 1 1 153 153 ILE H H 153 8.327 8.327 8.028 0.299 25887 7698 1 19 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.420 -0.056 25887 7699 1 19 . 1 1 154 154 PRO C C 154 178.333 178.333 178.591 -0.258 25887 7700 1 19 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.598 0.405 25887 7701 1 19 . 1 1 154 154 PRO CB C 154 30.777 30.777 32.002 -1.225 25887 7702 1 19 . 1 1 155 155 SER N N 155 112.667 112.667 114.275 -1.608 25887 7703 1 19 . 1 1 155 155 SER HA H 155 4.303 4.303 4.269 0.034 25887 7704 1 19 . 1 1 155 155 SER C C 155 175.450 175.450 175.834 -0.384 25887 7705 1 19 . 1 1 155 155 SER CA C 155 60.312 60.312 60.279 0.034 25887 7706 1 19 . 1 1 155 155 SER CB C 155 62.816 62.816 62.731 0.085 25887 7707 1 19 . 1 1 155 155 SER H H 155 7.883 7.883 8.233 -0.350 25887 7708 1 19 . 1 1 156 156 LEU N N 156 120.903 120.903 119.758 1.145 25887 7709 1 19 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.058 0.247 25887 7710 1 19 . 1 1 156 156 LEU C C 156 177.974 177.974 177.007 0.967 25887 7711 1 19 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.219 -0.704 25887 7712 1 19 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.181 -0.100 25887 7713 1 19 . 1 1 156 156 LEU H H 156 7.770 7.770 7.346 0.424 25887 7714 1 19 . 1 1 157 157 GLY N N 157 105.004 105.004 106.230 -1.226 25887 7715 1 19 . 1 1 157 157 GLY C C 157 174.321 174.321 173.144 1.177 25887 7716 1 19 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.327 0.860 25887 7717 1 19 . 1 1 157 157 GLY H H 157 7.666 7.666 7.496 0.170 25887 7718 1 19 . 1 1 158 158 LEU N N 158 119.534 119.534 119.967 -0.433 25887 7719 1 19 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.533 -0.001 25887 7720 1 19 . 1 1 158 158 LEU C C 158 176.712 176.712 177.215 -0.503 25887 7721 1 19 . 1 1 158 158 LEU CA C 158 53.760 53.760 56.828 -3.068 25887 7722 1 19 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.994 -0.233 25887 7723 1 19 . 1 1 158 158 LEU H H 158 8.203 8.203 8.285 -0.082 25887 7724 1 19 . 1 1 159 159 GLY N N 159 108.700 108.700 105.066 3.634 25887 7725 1 19 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.103 -0.687 25887 7726 1 19 . 1 1 159 159 GLY H H 159 8.055 8.055 7.843 0.212 25887 7727 1 19 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.370 0.006 25887 7728 1 19 . 1 1 160 160 PRO C C 160 177.112 177.112 176.115 0.997 25887 7729 1 19 . 1 1 160 160 PRO CA C 160 63.311 63.311 64.083 -0.772 25887 7730 1 19 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.857 -0.294 25887 7731 1 19 . 1 1 161 161 TYR N N 161 119.287 119.287 117.300 1.987 25887 7732 1 19 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.567 0.251 25887 7733 1 19 . 1 1 161 161 TYR CA C 161 56.419 56.419 58.394 -1.975 25887 7734 1 19 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.819 -1.858 25887 7735 1 19 . 1 1 161 161 TYR H H 161 8.130 8.130 7.634 0.496 25887 7736 1 19 . 1 1 162 162 VAL HA H 162 4.733 4.733 3.937 0.796 25887 7737 1 19 . 1 1 162 162 VAL CA C 162 60.346 60.346 63.488 -3.142 25887 7738 1 19 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.180 6.228 25887 7739 1 19 . 1 1 163 163 SER N N 163 119.428 119.428 121.108 -1.680 25887 7740 1 19 . 1 1 163 163 SER HA H 163 4.788 4.788 4.712 0.076 25887 7741 1 19 . 1 1 163 163 SER C C 163 173.141 173.141 173.547 -0.406 25887 7742 1 19 . 1 1 163 163 SER CA C 163 56.672 56.672 57.800 -1.128 25887 7743 1 19 . 1 1 163 163 SER CB C 163 64.650 64.650 63.886 0.764 25887 7744 1 19 . 1 1 163 163 SER H H 163 8.641 8.641 8.338 0.303 25887 7745 1 19 . 1 1 164 164 ILE N N 164 123.448 123.448 125.942 -2.494 25887 7746 1 19 . 1 1 164 164 ILE HA H 164 4.746 4.746 5.120 -0.374 25887 7747 1 19 . 1 1 164 164 ILE CA C 164 60.629 60.629 59.864 0.765 25887 7748 1 19 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.309 1.002 25887 7749 1 19 . 1 1 164 164 ILE H H 164 8.496 8.496 8.589 -0.093 25887 7750 1 19 . 1 1 165 165 ALA N N 165 129.783 129.783 129.936 -0.153 25887 7751 1 19 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.820 0.050 25887 7752 1 19 . 1 1 165 165 ALA C C 165 176.219 176.219 175.730 0.489 25887 7753 1 19 . 1 1 165 165 ALA CA C 165 50.780 50.780 50.970 -0.190 25887 7754 1 19 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.754 0.594 25887 7755 1 19 . 1 1 165 165 ALA H H 165 8.941 8.941 8.921 0.020 25887 7756 1 19 . 1 1 166 166 CYS N N 166 119.842 119.842 121.261 -1.419 25887 7757 1 19 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.614 -0.062 25887 7758 1 19 . 1 1 166 166 CYS C C 166 172.289 172.289 175.029 -2.740 25887 7759 1 19 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.227 -4.108 25887 7760 1 19 . 1 1 166 166 CYS CB C 166 48.826 48.826 29.149 19.677 25887 7761 1 19 . 1 1 166 166 CYS H H 166 9.049 9.049 8.529 0.520 25887 7762 1 19 . 1 1 167 167 CYS N N 167 118.569 118.569 120.211 -1.642 25887 7763 1 19 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.887 0.349 25887 7764 1 19 . 1 1 167 167 CYS C C 167 173.562 173.562 173.071 0.491 25887 7765 1 19 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.184 -3.043 25887 7766 1 19 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.118 15.345 25887 7767 1 19 . 1 1 167 167 CYS H H 167 9.297 9.297 9.004 0.293 25887 7768 1 19 . 1 1 168 168 GLN N N 168 118.916 118.916 119.748 -0.832 25887 7769 1 19 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.546 0.284 25887 7770 1 19 . 1 1 168 168 GLN C C 168 174.362 174.362 174.793 -0.431 25887 7771 1 19 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.566 0.419 25887 7772 1 19 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.736 3.952 25887 7773 1 19 . 1 1 168 168 GLN H H 168 9.105 9.105 8.605 0.500 25887 7774 1 19 . 1 1 169 169 THR N N 169 110.926 110.926 112.328 -1.402 25887 7775 1 19 . 1 1 169 169 THR HA H 169 4.813 4.813 4.614 0.199 25887 7776 1 19 . 1 1 169 169 THR C C 169 173.859 173.859 173.978 -0.119 25887 7777 1 19 . 1 1 169 169 THR CA C 169 60.038 60.038 60.458 -0.420 25887 7778 1 19 . 1 1 169 169 THR CB C 169 71.377 71.377 71.700 -0.323 25887 7779 1 19 . 1 1 169 169 THR H H 169 7.540 7.540 7.489 0.051 25887 7780 1 19 . 1 1 170 170 SER N N 170 117.386 117.386 120.789 -3.403 25887 7781 1 19 . 1 1 170 170 SER HA H 170 4.850 4.850 4.323 0.527 25887 7782 1 19 . 1 1 170 170 SER C C 170 175.757 175.757 175.369 0.388 25887 7783 1 19 . 1 1 170 170 SER CA C 170 60.987 60.987 59.309 1.678 25887 7784 1 19 . 1 1 170 170 SER CB C 170 63.104 63.104 63.401 -0.297 25887 7785 1 19 . 1 1 170 170 SER H H 170 8.814 8.814 8.551 0.263 25887 7786 1 19 . 1 1 171 171 LEU N N 171 116.724 116.724 118.954 -2.230 25887 7787 1 19 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.709 -0.049 25887 7788 1 19 . 1 1 171 171 LEU C C 171 176.055 176.055 177.120 -1.065 25887 7789 1 19 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.519 0.506 25887 7790 1 19 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.171 -1.883 25887 7791 1 19 . 1 1 171 171 LEU H H 171 9.570 9.570 8.437 1.133 25887 7792 1 19 . 1 1 172 172 CYS N N 172 113.842 113.842 114.075 -0.233 25887 7793 1 19 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.705 -0.091 25887 7794 1 19 . 1 1 172 172 CYS C C 172 174.424 174.424 174.996 -0.572 25887 7795 1 19 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.465 0.345 25887 7796 1 19 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.162 19.409 25887 7797 1 19 . 1 1 172 172 CYS H H 172 8.221 8.221 7.736 0.485 25887 7798 1 19 . 1 1 173 173 ASN N N 173 121.019 121.019 117.547 3.472 25887 7799 1 19 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.856 -0.099 25887 7800 1 19 . 1 1 173 173 ASN C C 173 174.239 174.239 175.249 -1.010 25887 7801 1 19 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.255 -1.490 25887 7802 1 19 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.992 -3.591 25887 7803 1 19 . 1 1 173 173 ASN H H 173 8.458 8.458 8.275 0.183 25887 7804 1 19 . 1 1 174 174 HIS N N 174 115.973 115.973 120.252 -4.279 25887 7805 1 19 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.601 -0.289 25887 7806 1 19 . 1 1 174 174 HIS C C 174 173.213 173.213 174.125 -0.912 25887 7807 1 19 . 1 1 174 174 HIS CA C 174 53.844 53.844 56.308 -2.464 25887 7808 1 19 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.083 -0.973 25887 7809 1 19 . 1 1 174 174 HIS H H 174 7.170 7.170 7.738 -0.568 25887 7810 1 20 . 1 1 101 101 ILE N N 101 123.543 123.543 116.777 6.766 25887 7811 1 20 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.929 -0.321 25887 7812 1 20 . 1 1 101 101 ILE C C 101 172.659 172.659 173.921 -1.262 25887 7813 1 20 . 1 1 101 101 ILE CA C 101 60.654 60.654 60.011 0.642 25887 7814 1 20 . 1 1 101 101 ILE CB C 101 41.301 41.301 40.717 0.584 25887 7815 1 20 . 1 1 101 101 ILE H H 101 8.681 8.681 7.561 1.120 25887 7816 1 20 . 1 1 102 102 TRP N N 102 123.817 123.817 120.920 2.897 25887 7817 1 20 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.188 -0.090 25887 7818 1 20 . 1 1 102 102 TRP C C 102 175.757 175.757 175.785 -0.028 25887 7819 1 20 . 1 1 102 102 TRP CA C 102 55.779 55.779 55.777 0.002 25887 7820 1 20 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.345 -0.139 25887 7821 1 20 . 1 1 102 102 TRP H H 102 8.008 8.008 8.496 -0.488 25887 7822 1 20 . 1 1 103 103 CYS N N 103 116.424 116.424 119.153 -2.729 25887 7823 1 20 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.789 0.306 25887 7824 1 20 . 1 1 103 103 CYS C C 103 175.070 175.070 173.135 1.935 25887 7825 1 20 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.318 -5.307 25887 7826 1 20 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.553 10.391 25887 7827 1 20 . 1 1 103 103 CYS H H 103 8.481 8.481 8.845 -0.364 25887 7828 1 20 . 1 1 104 104 HIS N N 104 123.159 123.159 118.761 4.398 25887 7829 1 20 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.263 -0.667 25887 7830 1 20 . 1 1 104 104 HIS C C 104 176.075 176.075 175.397 0.678 25887 7831 1 20 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.489 3.244 25887 7832 1 20 . 1 1 104 104 HIS CB C 104 30.984 30.984 29.917 1.067 25887 7833 1 20 . 1 1 104 104 HIS H H 104 9.364 9.364 8.600 0.764 25887 7834 1 20 . 1 1 105 105 GLN N N 105 123.570 123.570 123.591 -0.021 25887 7835 1 20 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.838 0.140 25887 7836 1 20 . 1 1 105 105 GLN C C 105 173.623 173.623 175.171 -1.548 25887 7837 1 20 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.405 -1.036 25887 7838 1 20 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.383 1.399 25887 7839 1 20 . 1 1 105 105 GLN H H 105 8.108 8.108 7.969 0.139 25887 7840 1 20 . 1 1 106 106 CYS N N 106 118.604 118.604 119.626 -1.022 25887 7841 1 20 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.658 0.293 25887 7842 1 20 . 1 1 106 106 CYS C C 106 171.120 171.120 176.612 -5.492 25887 7843 1 20 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.893 -4.986 25887 7844 1 20 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.763 10.876 25887 7845 1 20 . 1 1 106 106 CYS H H 106 8.458 8.458 8.297 0.161 25887 7846 1 20 . 1 1 107 107 THR N N 107 113.541 113.541 117.076 -3.535 25887 7847 1 20 . 1 1 107 107 THR HA H 107 5.500 5.500 4.273 1.227 25887 7848 1 20 . 1 1 107 107 THR C C 107 173.592 173.592 174.232 -0.640 25887 7849 1 20 . 1 1 107 107 THR CA C 107 60.161 60.161 64.755 -4.594 25887 7850 1 20 . 1 1 107 107 THR CB C 107 71.879 71.879 69.446 2.433 25887 7851 1 20 . 1 1 107 107 THR H H 107 8.400 8.400 8.938 -0.538 25887 7852 1 20 . 1 1 108 108 GLY N N 108 110.549 110.549 109.472 1.077 25887 7853 1 20 . 1 1 108 108 GLY C C 108 171.694 171.694 172.475 -0.781 25887 7854 1 20 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.479 0.969 25887 7855 1 20 . 1 1 108 108 GLY H H 108 8.817 8.817 7.595 1.222 25887 7856 1 20 . 1 1 109 109 PHE N N 109 120.830 120.830 123.653 -2.823 25887 7857 1 20 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.608 0.516 25887 7858 1 20 . 1 1 109 109 PHE C C 109 177.225 177.225 175.614 1.611 25887 7859 1 20 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.489 0.949 25887 7860 1 20 . 1 1 109 109 PHE CB C 109 38.408 38.408 40.444 -2.037 25887 7861 1 20 . 1 1 109 109 PHE H H 109 8.924 8.924 8.385 0.539 25887 7862 1 20 . 1 1 110 110 GLY N N 110 113.069 113.069 111.803 1.266 25887 7863 1 20 . 1 1 110 110 GLY C C 110 172.546 172.546 175.248 -2.702 25887 7864 1 20 . 1 1 110 110 GLY CA C 110 45.708 45.708 46.045 -0.337 25887 7865 1 20 . 1 1 110 110 GLY H H 110 9.442 9.442 8.392 1.050 25887 7866 1 20 . 1 1 111 111 GLY N N 111 106.335 106.335 105.694 0.641 25887 7867 1 20 . 1 1 111 111 GLY C C 111 171.664 171.664 174.913 -3.249 25887 7868 1 20 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.870 -0.613 25887 7869 1 20 . 1 1 111 111 GLY H H 111 7.095 7.095 8.412 -1.317 25887 7870 1 20 . 1 1 112 112 CYS N N 112 111.804 111.804 119.073 -7.269 25887 7871 1 20 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.351 0.405 25887 7872 1 20 . 1 1 112 112 CYS C C 112 171.027 171.027 174.645 -3.618 25887 7873 1 20 . 1 1 112 112 CYS CA C 112 56.123 56.123 59.185 -3.062 25887 7874 1 20 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.862 13.928 25887 7875 1 20 . 1 1 112 112 CYS H H 112 8.477 8.477 8.234 0.243 25887 7876 1 20 . 1 1 113 113 SER N N 113 116.083 116.083 117.710 -1.627 25887 7877 1 20 . 1 1 113 113 SER HA H 113 4.603 4.603 4.230 0.373 25887 7878 1 20 . 1 1 113 113 SER C C 113 174.536 174.536 172.944 1.592 25887 7879 1 20 . 1 1 113 113 SER CA C 113 56.493 56.493 57.576 -1.083 25887 7880 1 20 . 1 1 113 113 SER CB C 113 65.160 65.160 64.606 0.554 25887 7881 1 20 . 1 1 113 113 SER H H 113 8.693 8.693 8.588 0.105 25887 7882 1 20 . 1 1 114 114 HIS N N 114 126.668 126.668 122.734 3.934 25887 7883 1 20 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.592 -0.024 25887 7884 1 20 . 1 1 114 114 HIS C C 114 172.515 172.515 173.964 -1.449 25887 7885 1 20 . 1 1 114 114 HIS CA C 114 56.887 56.887 55.995 0.892 25887 7886 1 20 . 1 1 114 114 HIS CB C 114 27.276 27.276 31.692 -4.416 25887 7887 1 20 . 1 1 114 114 HIS H H 114 11.587 11.587 8.064 3.523 25887 7888 1 20 . 1 1 115 115 GLY N N 115 119.128 119.128 113.100 6.028 25887 7889 1 20 . 1 1 115 115 GLY C C 115 173.018 173.018 173.676 -0.658 25887 7890 1 20 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.938 0.519 25887 7891 1 20 . 1 1 115 115 GLY H H 115 9.361 9.361 8.816 0.545 25887 7892 1 20 . 1 1 116 116 SER N N 116 118.656 118.656 119.380 -0.724 25887 7893 1 20 . 1 1 116 116 SER HA H 116 4.451 4.451 4.821 -0.370 25887 7894 1 20 . 1 1 116 116 SER C C 116 171.848 171.848 172.901 -1.053 25887 7895 1 20 . 1 1 116 116 SER CA C 116 57.256 57.256 56.646 0.610 25887 7896 1 20 . 1 1 116 116 SER CB C 116 64.697 64.697 67.041 -2.344 25887 7897 1 20 . 1 1 116 116 SER H H 116 8.151 8.151 8.827 -0.676 25887 7898 1 20 . 1 1 117 117 ARG N N 117 124.682 124.682 119.901 4.781 25887 7899 1 20 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.032 -0.078 25887 7900 1 20 . 1 1 117 117 ARG C C 117 176.671 176.671 175.557 1.114 25887 7901 1 20 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.130 1.625 25887 7902 1 20 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.295 0.822 25887 7903 1 20 . 1 1 117 117 ARG H H 117 7.629 7.629 7.841 -0.212 25887 7904 1 20 . 1 1 118 118 CYS N N 118 122.932 122.932 123.416 -0.484 25887 7905 1 20 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.317 0.557 25887 7906 1 20 . 1 1 118 118 CYS C C 118 174.577 174.577 174.446 0.131 25887 7907 1 20 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.209 -6.213 25887 7908 1 20 . 1 1 118 118 CYS CB C 118 39.297 39.297 27.966 11.331 25887 7909 1 20 . 1 1 118 118 CYS H H 118 7.852 7.852 7.585 0.267 25887 7910 1 20 . 1 1 119 119 LEU N N 119 120.027 120.027 122.153 -2.126 25887 7911 1 20 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.088 0.213 25887 7912 1 20 . 1 1 119 119 LEU C C 119 178.394 178.394 177.603 0.791 25887 7913 1 20 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.731 0.485 25887 7914 1 20 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.534 -0.843 25887 7915 1 20 . 1 1 119 119 LEU H H 119 7.980 7.980 8.255 -0.275 25887 7916 1 20 . 1 1 120 120 ARG N N 120 120.159 120.159 122.237 -2.078 25887 7917 1 20 . 1 1 120 120 ARG HA H 120 4.038 4.038 4.009 0.029 25887 7918 1 20 . 1 1 120 120 ARG C C 120 175.624 175.624 176.228 -0.604 25887 7919 1 20 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.295 0.120 25887 7920 1 20 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.875 0.113 25887 7921 1 20 . 1 1 120 120 ARG H H 120 8.523 8.523 8.415 0.108 25887 7922 1 20 . 1 1 121 121 ASP N N 121 115.199 115.199 113.989 1.210 25887 7923 1 20 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.450 0.080 25887 7924 1 20 . 1 1 121 121 ASP C C 121 175.593 175.593 176.534 -0.941 25887 7925 1 20 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.277 -0.853 25887 7926 1 20 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.077 -0.042 25887 7927 1 20 . 1 1 121 121 ASP H H 121 8.252 8.252 8.163 0.089 25887 7928 1 20 . 1 1 122 122 SER N N 122 114.383 114.383 114.516 -0.133 25887 7929 1 20 . 1 1 122 122 SER HA H 122 4.124 4.124 4.262 -0.138 25887 7930 1 20 . 1 1 122 122 SER C C 122 173.264 173.264 174.274 -1.010 25887 7931 1 20 . 1 1 122 122 SER CA C 122 60.703 60.703 59.008 1.695 25887 7932 1 20 . 1 1 122 122 SER CB C 122 62.879 62.879 63.294 -0.415 25887 7933 1 20 . 1 1 122 122 SER H H 122 7.612 7.612 7.279 0.333 25887 7934 1 20 . 1 1 123 123 THR N N 123 111.852 111.852 124.903 -13.051 25887 7935 1 20 . 1 1 123 123 THR HA H 123 4.519 4.519 4.504 0.015 25887 7936 1 20 . 1 1 123 123 THR C C 123 173.356 173.356 173.220 0.136 25887 7937 1 20 . 1 1 123 123 THR CA C 123 61.888 61.888 61.304 0.584 25887 7938 1 20 . 1 1 123 123 THR CB C 123 70.830 70.830 69.476 1.354 25887 7939 1 20 . 1 1 123 123 THR H H 123 8.413 8.413 8.102 0.311 25887 7940 1 20 . 1 1 124 124 HIS N N 124 120.615 120.615 117.680 2.935 25887 7941 1 20 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.941 0.215 25887 7942 1 20 . 1 1 124 124 HIS C C 124 174.177 174.177 173.536 0.641 25887 7943 1 20 . 1 1 124 124 HIS CA C 124 56.000 56.000 54.515 1.485 25887 7944 1 20 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.256 1.488 25887 7945 1 20 . 1 1 124 124 HIS H H 124 8.630 8.630 7.521 1.109 25887 7946 1 20 . 1 1 125 125 CYS N N 125 115.755 115.755 118.172 -2.417 25887 7947 1 20 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.321 0.395 25887 7948 1 20 . 1 1 125 125 CYS C C 125 174.906 174.906 173.558 1.348 25887 7949 1 20 . 1 1 125 125 CYS CA C 125 52.172 52.172 57.618 -5.446 25887 7950 1 20 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.798 6.686 25887 7951 1 20 . 1 1 125 125 CYS H H 125 9.102 9.102 8.557 0.545 25887 7952 1 20 . 1 1 126 126 VAL N N 126 121.353 121.353 119.967 1.386 25887 7953 1 20 . 1 1 126 126 VAL HA H 126 5.199 5.199 5.024 0.175 25887 7954 1 20 . 1 1 126 126 VAL C C 126 176.004 176.004 174.969 1.035 25887 7955 1 20 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.520 0.035 25887 7956 1 20 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.822 -0.217 25887 7957 1 20 . 1 1 126 126 VAL H H 126 9.077 9.077 9.082 -0.005 25887 7958 1 20 . 1 1 127 127 THR N N 127 125.497 125.497 121.666 3.831 25887 7959 1 20 . 1 1 127 127 THR HA H 127 5.192 5.192 5.044 0.148 25887 7960 1 20 . 1 1 127 127 THR C C 127 173.510 173.510 173.660 -0.150 25887 7961 1 20 . 1 1 127 127 THR CA C 127 61.909 61.909 61.744 0.165 25887 7962 1 20 . 1 1 127 127 THR CB C 127 71.018 71.018 70.450 0.568 25887 7963 1 20 . 1 1 127 127 THR H H 127 9.031 9.031 8.748 0.283 25887 7964 1 20 . 1 1 128 128 THR N N 128 121.196 121.196 119.280 1.916 25887 7965 1 20 . 1 1 128 128 THR HA H 128 5.500 5.500 5.406 0.094 25887 7966 1 20 . 1 1 128 128 THR C C 128 172.228 172.228 173.228 -1.000 25887 7967 1 20 . 1 1 128 128 THR CA C 128 59.004 59.004 59.212 -0.208 25887 7968 1 20 . 1 1 128 128 THR CB C 128 70.306 70.306 70.600 -0.294 25887 7969 1 20 . 1 1 128 128 THR H H 128 9.625 9.625 8.470 1.155 25887 7970 1 20 . 1 1 129 129 ALA N N 129 124.169 124.169 127.583 -3.414 25887 7971 1 20 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.399 0.101 25887 7972 1 20 . 1 1 129 129 ALA C C 129 176.424 176.424 176.104 0.320 25887 7973 1 20 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.048 0.447 25887 7974 1 20 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.827 -0.479 25887 7975 1 20 . 1 1 129 129 ALA H H 129 8.539 8.539 8.168 0.371 25887 7976 1 20 . 1 1 130 130 THR N N 130 116.687 116.687 114.363 2.324 25887 7977 1 20 . 1 1 130 130 THR HA H 130 4.890 4.890 4.780 0.110 25887 7978 1 20 . 1 1 130 130 THR C C 130 172.854 172.854 173.755 -0.901 25887 7979 1 20 . 1 1 130 130 THR CA C 130 60.678 60.678 60.946 -0.267 25887 7980 1 20 . 1 1 130 130 THR CB C 130 70.352 70.352 71.686 -1.334 25887 7981 1 20 . 1 1 130 130 THR H H 130 8.636 8.636 8.663 -0.027 25887 7982 1 20 . 1 1 131 131 ARG N N 131 124.260 124.260 125.245 -0.985 25887 7983 1 20 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.959 -0.309 25887 7984 1 20 . 1 1 131 131 ARG C C 131 175.603 175.603 174.957 0.646 25887 7985 1 20 . 1 1 131 131 ARG CA C 131 55.458 55.458 55.688 -0.230 25887 7986 1 20 . 1 1 131 131 ARG CB C 131 30.755 30.755 32.127 -1.372 25887 7987 1 20 . 1 1 131 131 ARG H H 131 8.540 8.540 8.492 0.048 25887 7988 1 20 . 1 1 132 132 VAL N N 132 121.349 121.349 118.618 2.731 25887 7989 1 20 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.322 -0.090 25887 7990 1 20 . 1 1 132 132 VAL C C 132 175.727 175.727 175.063 0.664 25887 7991 1 20 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.113 0.722 25887 7992 1 20 . 1 1 132 132 VAL CB C 132 32.636 32.636 33.656 -1.020 25887 7993 1 20 . 1 1 132 132 VAL H H 132 8.430 8.430 8.289 0.141 25887 7994 1 20 . 1 1 133 133 LEU N N 133 124.364 124.364 126.784 -2.420 25887 7995 1 20 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.541 -0.089 25887 7996 1 20 . 1 1 133 133 LEU C C 133 176.753 176.753 176.002 0.751 25887 7997 1 20 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.069 -1.321 25887 7998 1 20 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.344 -0.471 25887 7999 1 20 . 1 1 133 133 LEU H H 133 8.246 8.246 8.209 0.037 25887 8000 1 20 . 1 1 134 134 SER N N 134 114.791 114.791 119.911 -5.120 25887 8001 1 20 . 1 1 134 134 SER HA H 134 4.490 4.490 4.571 -0.081 25887 8002 1 20 . 1 1 134 134 SER C C 134 173.900 173.900 173.754 0.146 25887 8003 1 20 . 1 1 134 134 SER CA C 134 57.970 57.970 57.685 0.284 25887 8004 1 20 . 1 1 134 134 SER CB C 134 63.375 63.375 65.487 -2.112 25887 8005 1 20 . 1 1 134 134 SER H H 134 8.078 8.078 8.171 -0.093 25887 8006 1 20 . 1 1 135 135 ASN N N 135 119.634 119.634 120.225 -0.591 25887 8007 1 20 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.621 0.156 25887 8008 1 20 . 1 1 135 135 ASN C C 135 175.337 175.337 175.253 0.084 25887 8009 1 20 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.203 -1.133 25887 8010 1 20 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.591 -0.245 25887 8011 1 20 . 1 1 135 135 ASN H H 135 8.287 8.287 8.688 -0.401 25887 8012 1 20 . 1 1 136 136 THR N N 136 112.097 112.097 113.062 -0.965 25887 8013 1 20 . 1 1 136 136 THR HA H 136 4.311 4.311 4.448 -0.137 25887 8014 1 20 . 1 1 136 136 THR C C 136 174.280 174.280 173.665 0.615 25887 8015 1 20 . 1 1 136 136 THR CA C 136 62.131 62.131 61.216 0.915 25887 8016 1 20 . 1 1 136 136 THR CB C 136 69.106 69.106 69.516 -0.410 25887 8017 1 20 . 1 1 136 136 THR H H 136 8.085 8.085 7.485 0.600 25887 8018 1 20 . 1 1 137 137 GLU N N 137 120.207 120.207 123.433 -3.226 25887 8019 1 20 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.015 0.349 25887 8020 1 20 . 1 1 137 137 GLU C C 137 175.296 175.296 175.693 -0.397 25887 8021 1 20 . 1 1 137 137 GLU CA C 137 55.754 55.754 57.207 -1.453 25887 8022 1 20 . 1 1 137 137 GLU CB C 137 29.189 29.189 28.902 0.286 25887 8023 1 20 . 1 1 137 137 GLU H H 137 8.035 8.035 8.840 -0.805 25887 8024 1 20 . 1 1 138 138 ASP N N 138 119.742 119.742 117.659 2.083 25887 8025 1 20 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.449 0.156 25887 8026 1 20 . 1 1 138 138 ASP C C 138 174.978 174.978 176.692 -1.714 25887 8027 1 20 . 1 1 138 138 ASP CA C 138 53.880 53.880 54.300 -0.420 25887 8028 1 20 . 1 1 138 138 ASP CB C 138 40.235 40.235 40.852 -0.617 25887 8029 1 20 . 1 1 138 138 ASP H H 138 8.097 8.097 8.408 -0.311 25887 8030 1 20 . 1 1 139 139 LEU N N 139 121.008 121.008 118.042 2.966 25887 8031 1 20 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.443 0.334 25887 8032 1 20 . 1 1 139 139 LEU CA C 139 52.011 52.011 53.278 -1.267 25887 8033 1 20 . 1 1 139 139 LEU CB C 139 42.693 42.693 40.868 1.825 25887 8034 1 20 . 1 1 139 139 LEU H H 139 8.021 8.021 7.465 0.556 25887 8035 1 20 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.367 0.267 25887 8036 1 20 . 1 1 140 140 PRO C C 140 175.419 175.419 175.695 -0.276 25887 8037 1 20 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.096 -0.034 25887 8038 1 20 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.606 -0.716 25887 8039 1 20 . 1 1 141 141 LEU N N 141 123.715 123.715 123.706 0.009 25887 8040 1 20 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.402 -0.226 25887 8041 1 20 . 1 1 141 141 LEU C C 141 175.870 175.870 174.919 0.951 25887 8042 1 20 . 1 1 141 141 LEU CA C 141 55.190 55.190 53.921 1.269 25887 8043 1 20 . 1 1 141 141 LEU CB C 141 41.678 41.678 44.015 -2.337 25887 8044 1 20 . 1 1 141 141 LEU H H 141 8.569 8.569 8.076 0.493 25887 8045 1 20 . 1 1 142 142 VAL N N 142 131.573 131.573 125.418 6.155 25887 8046 1 20 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.753 0.397 25887 8047 1 20 . 1 1 142 142 VAL C C 142 174.198 174.198 175.116 -0.918 25887 8048 1 20 . 1 1 142 142 VAL CA C 142 60.583 60.583 60.857 -0.274 25887 8049 1 20 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.338 -0.108 25887 8050 1 20 . 1 1 142 142 VAL H H 142 9.005 9.005 8.362 0.643 25887 8051 1 20 . 1 1 143 143 THR N N 143 121.430 121.430 124.017 -2.587 25887 8052 1 20 . 1 1 143 143 THR HA H 143 4.967 4.967 4.701 0.266 25887 8053 1 20 . 1 1 143 143 THR C C 143 172.546 172.546 173.719 -1.173 25887 8054 1 20 . 1 1 143 143 THR CA C 143 61.343 61.343 62.548 -1.205 25887 8055 1 20 . 1 1 143 143 THR CB C 143 69.917 69.917 69.604 0.313 25887 8056 1 20 . 1 1 143 143 THR H H 143 8.744 8.744 8.307 0.437 25887 8057 1 20 . 1 1 144 144 LYS N N 144 126.310 126.310 127.157 -0.847 25887 8058 1 20 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.625 -0.036 25887 8059 1 20 . 1 1 144 144 LYS C C 144 175.839 175.839 176.250 -0.411 25887 8060 1 20 . 1 1 144 144 LYS CA C 144 54.667 54.667 54.970 -0.303 25887 8061 1 20 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.319 0.258 25887 8062 1 20 . 1 1 144 144 LYS H H 144 9.397 9.397 8.152 1.245 25887 8063 1 20 . 1 1 145 145 MET N N 145 117.942 117.942 118.534 -0.592 25887 8064 1 20 . 1 1 145 145 MET HA H 145 5.058 5.058 4.953 0.105 25887 8065 1 20 . 1 1 145 145 MET C C 145 174.454 174.454 173.419 1.035 25887 8066 1 20 . 1 1 145 145 MET CA C 145 54.843 54.843 54.467 0.376 25887 8067 1 20 . 1 1 145 145 MET CB C 145 35.827 35.827 35.926 -0.099 25887 8068 1 20 . 1 1 145 145 MET H H 145 8.729 8.729 8.869 -0.140 25887 8069 1 20 . 1 1 146 146 CYS N N 146 119.031 119.031 117.456 1.575 25887 8070 1 20 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.510 -0.002 25887 8071 1 20 . 1 1 146 146 CYS C C 146 175.029 175.029 173.917 1.112 25887 8072 1 20 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.884 -1.215 25887 8073 1 20 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.884 15.414 25887 8074 1 20 . 1 1 146 146 CYS H H 146 8.642 8.642 8.530 0.112 25887 8075 1 20 . 1 1 147 147 HIS N N 147 120.858 120.858 120.057 0.801 25887 8076 1 20 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.781 -0.138 25887 8077 1 20 . 1 1 147 147 HIS C C 147 173.223 173.223 174.230 -1.007 25887 8078 1 20 . 1 1 147 147 HIS CA C 147 57.601 57.601 55.796 1.805 25887 8079 1 20 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.546 0.274 25887 8080 1 20 . 1 1 147 147 HIS H H 147 9.423 9.423 8.869 0.554 25887 8081 1 20 . 1 1 148 148 ILE N N 148 125.370 125.370 121.296 4.074 25887 8082 1 20 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.217 0.153 25887 8083 1 20 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.940 0.598 25887 8084 1 20 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.173 -0.077 25887 8085 1 20 . 1 1 148 148 ILE H H 148 8.374 8.374 8.099 0.275 25887 8086 1 20 . 1 1 149 149 GLY N N 149 118.093 118.093 110.696 7.397 25887 8087 1 20 . 1 1 149 149 GLY C C 149 170.853 170.853 172.482 -1.629 25887 8088 1 20 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.883 -2.341 25887 8089 1 20 . 1 1 149 149 GLY H H 149 8.367 8.367 7.748 0.619 25887 8090 1 20 . 1 1 150 150 CYS N N 150 118.529 118.529 122.566 -4.037 25887 8091 1 20 . 1 1 150 150 CYS HA H 150 4.818 4.818 5.026 -0.208 25887 8092 1 20 . 1 1 150 150 CYS CA C 150 50.265 50.265 55.933 -5.668 25887 8093 1 20 . 1 1 150 150 CYS CB C 150 38.752 38.752 27.781 10.971 25887 8094 1 20 . 1 1 150 150 CYS H H 150 8.187 8.187 8.446 -0.259 25887 8095 1 20 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.422 -0.078 25887 8096 1 20 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.871 -0.443 25887 8097 1 20 . 1 1 151 151 PRO CB C 151 31.672 31.672 30.598 1.075 25887 8098 1 20 . 1 1 152 152 ASP N N 152 117.148 117.148 122.980 -5.832 25887 8099 1 20 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.277 0.363 25887 8100 1 20 . 1 1 152 152 ASP C C 152 175.624 175.624 176.781 -1.157 25887 8101 1 20 . 1 1 152 152 ASP CA C 152 51.410 51.410 55.925 -4.515 25887 8102 1 20 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.075 0.616 25887 8103 1 20 . 1 1 152 152 ASP H H 152 7.668 7.668 8.264 -0.596 25887 8104 1 20 . 1 1 153 153 ILE N N 153 119.719 119.719 116.657 3.062 25887 8105 1 20 . 1 1 153 153 ILE HA H 153 3.913 3.913 3.938 -0.025 25887 8106 1 20 . 1 1 153 153 ILE CA C 153 64.996 64.996 60.693 4.303 25887 8107 1 20 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.075 -1.081 25887 8108 1 20 . 1 1 153 153 ILE H H 153 8.327 8.327 8.111 0.216 25887 8109 1 20 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.338 0.026 25887 8110 1 20 . 1 1 154 154 PRO C C 154 178.333 178.333 178.165 0.168 25887 8111 1 20 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.412 0.591 25887 8112 1 20 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.808 -1.031 25887 8113 1 20 . 1 1 155 155 SER N N 155 112.667 112.667 114.241 -1.574 25887 8114 1 20 . 1 1 155 155 SER HA H 155 4.303 4.303 4.253 0.050 25887 8115 1 20 . 1 1 155 155 SER C C 155 175.450 175.450 175.751 -0.301 25887 8116 1 20 . 1 1 155 155 SER CA C 155 60.312 60.312 60.048 0.264 25887 8117 1 20 . 1 1 155 155 SER CB C 155 62.816 62.816 62.508 0.309 25887 8118 1 20 . 1 1 155 155 SER H H 155 7.883 7.883 8.145 -0.262 25887 8119 1 20 . 1 1 156 156 LEU N N 156 120.903 120.903 119.836 1.067 25887 8120 1 20 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.013 0.292 25887 8121 1 20 . 1 1 156 156 LEU C C 156 177.974 177.974 176.722 1.252 25887 8122 1 20 . 1 1 156 156 LEU CA C 156 55.516 55.516 56.455 -0.939 25887 8123 1 20 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.141 -0.061 25887 8124 1 20 . 1 1 156 156 LEU H H 156 7.770 7.770 7.342 0.428 25887 8125 1 20 . 1 1 157 157 GLY N N 157 105.004 105.004 105.037 -0.033 25887 8126 1 20 . 1 1 157 157 GLY C C 157 174.321 174.321 173.780 0.541 25887 8127 1 20 . 1 1 157 157 GLY CA C 157 46.187 46.187 44.635 1.552 25887 8128 1 20 . 1 1 157 157 GLY H H 157 7.666 7.666 7.623 0.043 25887 8129 1 20 . 1 1 158 158 LEU N N 158 119.534 119.534 121.376 -1.842 25887 8130 1 20 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.040 0.492 25887 8131 1 20 . 1 1 158 158 LEU C C 158 176.712 176.712 176.003 0.709 25887 8132 1 20 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.736 -1.976 25887 8133 1 20 . 1 1 158 158 LEU CB C 158 42.761 42.761 39.851 2.910 25887 8134 1 20 . 1 1 158 158 LEU H H 158 8.203 8.203 8.255 -0.052 25887 8135 1 20 . 1 1 159 159 GLY N N 159 108.700 108.700 110.837 -2.137 25887 8136 1 20 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.303 -0.887 25887 8137 1 20 . 1 1 159 159 GLY H H 159 8.055 8.055 8.337 -0.282 25887 8138 1 20 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.466 -0.090 25887 8139 1 20 . 1 1 160 160 PRO C C 160 177.112 177.112 175.820 1.292 25887 8140 1 20 . 1 1 160 160 PRO CA C 160 63.311 63.311 62.148 1.163 25887 8141 1 20 . 1 1 160 160 PRO CB C 160 31.562 31.562 29.660 1.902 25887 8142 1 20 . 1 1 161 161 TYR N N 161 119.287 119.287 119.743 -0.456 25887 8143 1 20 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.182 0.636 25887 8144 1 20 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.908 -1.489 25887 8145 1 20 . 1 1 161 161 TYR CB C 161 36.961 36.961 37.187 -0.226 25887 8146 1 20 . 1 1 161 161 TYR H H 161 8.130 8.130 8.316 -0.186 25887 8147 1 20 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.093 0.640 25887 8148 1 20 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.755 -2.409 25887 8149 1 20 . 1 1 162 162 VAL CB C 162 38.408 38.408 32.308 6.100 25887 8150 1 20 . 1 1 163 163 SER N N 163 119.428 119.428 122.703 -3.275 25887 8151 1 20 . 1 1 163 163 SER HA H 163 4.788 4.788 4.584 0.204 25887 8152 1 20 . 1 1 163 163 SER C C 163 173.141 173.141 173.213 -0.072 25887 8153 1 20 . 1 1 163 163 SER CA C 163 56.672 56.672 57.485 -0.813 25887 8154 1 20 . 1 1 163 163 SER CB C 163 64.650 64.650 65.004 -0.354 25887 8155 1 20 . 1 1 163 163 SER H H 163 8.641 8.641 8.016 0.625 25887 8156 1 20 . 1 1 164 164 ILE N N 164 123.448 123.448 124.462 -1.014 25887 8157 1 20 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.197 0.549 25887 8158 1 20 . 1 1 164 164 ILE CA C 164 60.629 60.629 58.883 1.746 25887 8159 1 20 . 1 1 164 164 ILE CB C 164 41.311 41.311 36.183 5.128 25887 8160 1 20 . 1 1 164 164 ILE H H 164 8.496 8.496 8.823 -0.327 25887 8161 1 20 . 1 1 165 165 ALA N N 165 129.783 129.783 132.160 -2.377 25887 8162 1 20 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.523 0.347 25887 8163 1 20 . 1 1 165 165 ALA C C 165 176.219 176.219 176.257 -0.038 25887 8164 1 20 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.137 -0.357 25887 8165 1 20 . 1 1 165 165 ALA CB C 165 21.348 21.348 18.768 2.580 25887 8166 1 20 . 1 1 165 165 ALA H H 165 8.941 8.941 8.748 0.193 25887 8167 1 20 . 1 1 166 166 CYS N N 166 119.842 119.842 122.598 -2.756 25887 8168 1 20 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.459 0.093 25887 8169 1 20 . 1 1 166 166 CYS C C 166 172.289 172.289 175.347 -3.058 25887 8170 1 20 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.755 -4.636 25887 8171 1 20 . 1 1 166 166 CYS CB C 166 48.826 48.826 28.300 20.526 25887 8172 1 20 . 1 1 166 166 CYS H H 166 9.049 9.049 8.355 0.694 25887 8173 1 20 . 1 1 167 167 CYS N N 167 118.569 118.569 122.750 -4.181 25887 8174 1 20 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.863 0.373 25887 8175 1 20 . 1 1 167 167 CYS C C 167 173.562 173.562 173.686 -0.124 25887 8176 1 20 . 1 1 167 167 CYS CA C 167 55.141 55.141 57.536 -2.395 25887 8177 1 20 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.863 14.600 25887 8178 1 20 . 1 1 167 167 CYS H H 167 9.297 9.297 9.013 0.284 25887 8179 1 20 . 1 1 168 168 GLN N N 168 118.916 118.916 120.966 -2.050 25887 8180 1 20 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.714 0.116 25887 8181 1 20 . 1 1 168 168 GLN C C 168 174.362 174.362 175.432 -1.070 25887 8182 1 20 . 1 1 168 168 GLN CA C 168 55.985 55.985 54.883 1.102 25887 8183 1 20 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.288 4.400 25887 8184 1 20 . 1 1 168 168 GLN H H 168 9.105 9.105 8.656 0.449 25887 8185 1 20 . 1 1 169 169 THR N N 169 110.926 110.926 111.211 -0.285 25887 8186 1 20 . 1 1 169 169 THR HA H 169 4.813 4.813 4.523 0.290 25887 8187 1 20 . 1 1 169 169 THR C C 169 173.859 173.859 173.657 0.202 25887 8188 1 20 . 1 1 169 169 THR CA C 169 60.038 60.038 60.276 -0.239 25887 8189 1 20 . 1 1 169 169 THR CB C 169 71.377 71.377 71.770 -0.393 25887 8190 1 20 . 1 1 169 169 THR H H 169 7.540 7.540 7.442 0.098 25887 8191 1 20 . 1 1 170 170 SER N N 170 117.386 117.386 120.615 -3.229 25887 8192 1 20 . 1 1 170 170 SER HA H 170 4.850 4.850 4.257 0.593 25887 8193 1 20 . 1 1 170 170 SER C C 170 175.757 175.757 175.357 0.400 25887 8194 1 20 . 1 1 170 170 SER CA C 170 60.987 60.987 58.874 2.113 25887 8195 1 20 . 1 1 170 170 SER CB C 170 63.104 63.104 63.528 -0.424 25887 8196 1 20 . 1 1 170 170 SER H H 170 8.814 8.814 8.565 0.249 25887 8197 1 20 . 1 1 171 171 LEU N N 171 116.724 116.724 120.741 -4.017 25887 8198 1 20 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.724 -0.064 25887 8199 1 20 . 1 1 171 171 LEU C C 171 176.055 176.055 176.878 -0.823 25887 8200 1 20 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.566 0.459 25887 8201 1 20 . 1 1 171 171 LEU CB C 171 37.288 37.288 38.969 -1.681 25887 8202 1 20 . 1 1 171 171 LEU H H 171 9.570 9.570 8.407 1.163 25887 8203 1 20 . 1 1 172 172 CYS N N 172 113.842 113.842 113.038 0.804 25887 8204 1 20 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.701 -0.087 25887 8205 1 20 . 1 1 172 172 CYS C C 172 174.424 174.424 174.902 -0.478 25887 8206 1 20 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.668 0.142 25887 8207 1 20 . 1 1 172 172 CYS CB C 172 45.571 45.571 26.130 19.441 25887 8208 1 20 . 1 1 172 172 CYS H H 172 8.221 8.221 7.805 0.416 25887 8209 1 20 . 1 1 173 173 ASN N N 173 121.019 121.019 117.565 3.454 25887 8210 1 20 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.924 -0.167 25887 8211 1 20 . 1 1 173 173 ASN C C 173 174.239 174.239 175.906 -1.667 25887 8212 1 20 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.560 -1.795 25887 8213 1 20 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.896 -3.495 25887 8214 1 20 . 1 1 173 173 ASN H H 173 8.458 8.458 8.144 0.314 25887 8215 1 20 . 1 1 174 174 HIS N N 174 115.973 115.973 118.902 -2.929 25887 8216 1 20 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.689 -0.377 25887 8217 1 20 . 1 1 174 174 HIS C C 174 173.213 173.213 174.467 -1.254 25887 8218 1 20 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.820 -1.976 25887 8219 1 20 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.674 -1.564 25887 8220 1 20 . 1 1 174 174 HIS H H 174 7.170 7.170 7.741 -0.571 25887 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 69 3.761 -0.220 3.782 25887 2 1 1 "Average Difference" HA 81 0.381 -0.082 0.374 25887 3 1 1 "Average Difference" C 65 1.372 0.450 1.307 25887 4 1 1 "Average Difference" CA 74 2.186 0.585 2.120 25887 5 1 1 "Average Difference" CB 67 5.714 -1.912 5.425 25887 6 1 1 "Average Difference" HN 69 0.684 -0.248 0.642 25887 7 1 2 "Average Difference" N 69 2.956 -0.031 2.978 25887 8 1 2 "Average Difference" HA 81 0.363 -0.066 0.359 25887 9 1 2 "Average Difference" C 65 1.367 0.475 1.292 25887 10 1 2 "Average Difference" CA 74 2.173 0.578 2.109 25887 11 1 2 "Average Difference" CB 67 5.599 -1.859 5.321 25887 12 1 2 "Average Difference" HN 69 0.669 -0.207 0.641 25887 13 1 3 "Average Difference" N 69 3.390 -0.331 3.398 25887 14 1 3 "Average Difference" HA 81 0.376 -0.094 0.366 25887 15 1 3 "Average Difference" C 65 1.193 0.289 1.166 25887 16 1 3 "Average Difference" CA 74 2.143 0.678 2.046 25887 17 1 3 "Average Difference" CB 67 5.777 -1.789 5.535 25887 18 1 3 "Average Difference" HN 69 0.672 -0.244 0.631 25887 19 1 4 "Average Difference" N 69 3.743 0.300 3.759 25887 20 1 4 "Average Difference" HA 81 0.406 -0.101 0.395 25887 21 1 4 "Average Difference" C 65 1.366 0.418 1.311 25887 22 1 4 "Average Difference" CA 74 2.110 0.512 2.061 25887 23 1 4 "Average Difference" CB 67 5.673 -2.068 5.322 25887 24 1 4 "Average Difference" HN 69 0.735 -0.264 0.691 25887 25 1 5 "Average Difference" N 69 3.370 -0.352 3.376 25887 26 1 5 "Average Difference" HA 81 0.368 -0.082 0.361 25887 27 1 5 "Average Difference" C 65 1.325 0.389 1.276 25887 28 1 5 "Average Difference" CA 74 2.209 0.667 2.120 25887 29 1 5 "Average Difference" CB 67 5.673 -1.810 5.417 25887 30 1 5 "Average Difference" HN 69 0.676 -0.251 0.633 25887 31 1 6 "Average Difference" N 69 3.214 0.211 3.231 25887 32 1 6 "Average Difference" HA 81 0.353 -0.103 0.340 25887 33 1 6 "Average Difference" C 65 1.296 0.407 1.240 25887 34 1 6 "Average Difference" CA 74 2.047 0.629 1.961 25887 35 1 6 "Average Difference" CB 67 5.654 -1.936 5.352 25887 36 1 6 "Average Difference" HN 69 0.677 -0.259 0.630 25887 37 1 7 "Average Difference" N 69 3.275 0.410 3.273 25887 38 1 7 "Average Difference" HA 81 0.411 -0.136 0.391 25887 39 1 7 "Average Difference" C 65 1.411 0.441 1.351 25887 40 1 7 "Average Difference" CA 74 2.120 0.608 2.045 25887 41 1 7 "Average Difference" CB 67 5.794 -1.983 5.486 25887 42 1 7 "Average Difference" HN 69 0.712 -0.240 0.676 25887 43 1 8 "Average Difference" N 69 3.677 0.452 3.675 25887 44 1 8 "Average Difference" HA 81 0.431 -0.100 0.422 25887 45 1 8 "Average Difference" C 65 1.381 0.327 1.352 25887 46 1 8 "Average Difference" CA 74 2.058 0.501 2.010 25887 47 1 8 "Average Difference" CB 67 5.855 -2.005 5.542 25887 48 1 8 "Average Difference" HN 69 0.701 -0.236 0.665 25887 49 1 9 "Average Difference" N 69 3.297 -0.171 3.317 25887 50 1 9 "Average Difference" HA 81 0.411 -0.114 0.397 25887 51 1 9 "Average Difference" C 65 1.438 0.456 1.375 25887 52 1 9 "Average Difference" CA 74 2.190 0.628 2.112 25887 53 1 9 "Average Difference" CB 67 5.840 -1.929 5.554 25887 54 1 9 "Average Difference" HN 69 0.669 -0.257 0.622 25887 55 1 10 "Average Difference" N 69 3.946 -0.347 3.960 25887 56 1 10 "Average Difference" HA 81 0.409 -0.126 0.392 25887 57 1 10 "Average Difference" C 65 1.381 0.518 1.291 25887 58 1 10 "Average Difference" CA 74 2.291 0.683 2.202 25887 59 1 10 "Average Difference" CB 67 5.816 -1.977 5.511 25887 60 1 10 "Average Difference" HN 69 0.694 -0.308 0.626 25887 61 1 11 "Average Difference" N 69 3.179 -0.123 3.200 25887 62 1 11 "Average Difference" HA 81 0.377 -0.071 0.373 25887 63 1 11 "Average Difference" C 65 1.385 0.424 1.329 25887 64 1 11 "Average Difference" CA 74 2.094 0.555 2.033 25887 65 1 11 "Average Difference" CB 67 5.735 -1.904 5.450 25887 66 1 11 "Average Difference" HN 69 0.653 -0.193 0.628 25887 67 1 12 "Average Difference" N 69 3.186 0.099 3.208 25887 68 1 12 "Average Difference" HA 81 0.383 -0.106 0.370 25887 69 1 12 "Average Difference" C 65 1.344 0.372 1.302 25887 70 1 12 "Average Difference" CA 74 2.175 0.541 2.121 25887 71 1 12 "Average Difference" CB 67 5.743 -1.931 5.450 25887 72 1 12 "Average Difference" HN 69 0.697 -0.238 0.660 25887 73 1 13 "Average Difference" N 69 3.374 0.084 3.398 25887 74 1 13 "Average Difference" HA 81 0.361 -0.101 0.349 25887 75 1 13 "Average Difference" C 65 1.350 0.409 1.297 25887 76 1 13 "Average Difference" CA 74 2.130 0.622 2.051 25887 77 1 13 "Average Difference" CB 67 5.677 -1.871 5.400 25887 78 1 13 "Average Difference" HN 69 0.644 -0.214 0.612 25887 79 1 14 "Average Difference" N 69 3.457 -0.380 3.461 25887 80 1 14 "Average Difference" HA 81 0.382 -0.104 0.370 25887 81 1 14 "Average Difference" C 65 1.331 0.430 1.269 25887 82 1 14 "Average Difference" CA 74 2.184 0.664 2.095 25887 83 1 14 "Average Difference" CB 67 5.633 -1.952 5.324 25887 84 1 14 "Average Difference" HN 69 0.685 -0.244 0.645 25887 85 1 15 "Average Difference" N 69 3.334 -0.060 3.358 25887 86 1 15 "Average Difference" HA 81 0.413 -0.103 0.402 25887 87 1 15 "Average Difference" C 65 1.357 0.445 1.292 25887 88 1 15 "Average Difference" CA 74 2.152 0.755 2.029 25887 89 1 15 "Average Difference" CB 67 5.586 -1.968 5.268 25887 90 1 15 "Average Difference" HN 69 0.704 -0.269 0.655 25887 91 1 16 "Average Difference" N 69 3.383 -0.167 3.404 25887 92 1 16 "Average Difference" HA 81 0.422 -0.140 0.400 25887 93 1 16 "Average Difference" C 65 1.365 0.525 1.270 25887 94 1 16 "Average Difference" CA 74 2.256 0.753 2.141 25887 95 1 16 "Average Difference" CB 67 5.874 -2.012 5.561 25887 96 1 16 "Average Difference" HN 69 0.638 -0.246 0.594 25887 97 1 17 "Average Difference" N 69 3.445 0.290 3.458 25887 98 1 17 "Average Difference" HA 81 0.382 -0.090 0.373 25887 99 1 17 "Average Difference" C 65 1.305 0.465 1.229 25887 100 1 17 "Average Difference" CA 74 2.125 0.573 2.060 25887 101 1 17 "Average Difference" CB 67 5.739 -2.027 5.409 25887 102 1 17 "Average Difference" HN 69 0.717 -0.254 0.675 25887 103 1 18 "Average Difference" N 69 3.409 -0.110 3.432 25887 104 1 18 "Average Difference" HA 81 0.425 -0.122 0.409 25887 105 1 18 "Average Difference" C 65 1.396 0.355 1.361 25887 106 1 18 "Average Difference" CA 74 2.301 0.721 2.200 25887 107 1 18 "Average Difference" CB 67 5.782 -2.016 5.460 25887 108 1 18 "Average Difference" HN 69 0.701 -0.272 0.651 25887 109 1 19 "Average Difference" N 69 3.337 -0.570 3.312 25887 110 1 19 "Average Difference" HA 81 0.361 -0.122 0.341 25887 111 1 19 "Average Difference" C 65 1.303 0.364 1.261 25887 112 1 19 "Average Difference" CA 74 2.139 0.693 2.038 25887 113 1 19 "Average Difference" CB 67 5.664 -2.023 5.330 25887 114 1 19 "Average Difference" HN 69 0.723 -0.291 0.667 25887 115 1 20 "Average Difference" N 69 3.448 0.308 3.459 25887 116 1 20 "Average Difference" HA 81 0.371 -0.107 0.357 25887 117 1 20 "Average Difference" C 65 1.383 0.350 1.348 25887 118 1 20 "Average Difference" CA 74 2.123 0.566 2.061 25887 119 1 20 "Average Difference" CB 67 5.667 -2.091 5.307 25887 120 1 20 "Average Difference" HN 69 0.690 -0.242 0.651 25887 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 25887 _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 1 101 101 ILE N N 101 123.543 123.543 117.333 6.210 25887 2 1 . 1 1 101 101 ILE HA H 101 4.608 4.608 4.860 -0.252 25887 3 1 . 1 1 101 101 ILE C C 101 172.659 172.659 173.875 -1.216 25887 4 1 . 1 1 101 101 ILE CA C 101 60.654 60.654 59.974 0.680 25887 5 1 . 1 1 101 101 ILE CB C 101 41.301 41.301 40.993 0.308 25887 6 1 . 1 1 101 101 ILE H H 101 8.681 8.681 8.017 0.664 25887 7 1 . 1 1 102 102 TRP N N 102 123.817 123.817 121.125 2.692 25887 8 1 . 1 1 102 102 TRP HA H 102 5.098 5.098 5.110 -0.012 25887 9 1 . 1 1 102 102 TRP C C 102 175.757 175.757 175.872 -0.115 25887 10 1 . 1 1 102 102 TRP CA C 102 55.779 55.779 56.190 -0.411 25887 11 1 . 1 1 102 102 TRP CB C 102 30.206 30.206 30.088 0.118 25887 12 1 . 1 1 102 102 TRP H H 102 8.008 8.008 8.486 -0.478 25887 13 1 . 1 1 103 103 CYS N N 103 116.424 116.424 119.590 -3.166 25887 14 1 . 1 1 103 103 CYS HA H 103 5.095 5.095 4.797 0.298 25887 15 1 . 1 1 103 103 CYS C C 103 175.070 175.070 173.185 1.885 25887 16 1 . 1 1 103 103 CYS CA C 103 52.011 52.011 57.518 -5.507 25887 17 1 . 1 1 103 103 CYS CB C 103 41.944 41.944 31.864 10.080 25887 18 1 . 1 1 103 103 CYS H H 103 8.481 8.481 8.929 -0.448 25887 19 1 . 1 1 104 104 HIS N N 104 123.159 123.159 119.023 4.136 25887 20 1 . 1 1 104 104 HIS HA H 104 4.596 4.596 5.193 -0.597 25887 21 1 . 1 1 104 104 HIS C C 104 176.075 176.075 175.423 0.652 25887 22 1 . 1 1 104 104 HIS CA C 104 58.733 58.733 55.575 3.158 25887 23 1 . 1 1 104 104 HIS CB C 104 30.984 30.984 30.041 0.943 25887 24 1 . 1 1 104 104 HIS H H 104 9.364 9.364 8.618 0.746 25887 25 1 . 1 1 105 105 GLN N N 105 123.570 123.570 123.010 0.560 25887 26 1 . 1 1 105 105 GLN HA H 105 4.978 4.978 4.776 0.202 25887 27 1 . 1 1 105 105 GLN C C 105 173.623 173.623 175.064 -1.441 25887 28 1 . 1 1 105 105 GLN CA C 105 54.369 54.369 55.206 -0.837 25887 29 1 . 1 1 105 105 GLN CB C 105 30.782 30.782 29.144 1.638 25887 30 1 . 1 1 105 105 GLN H H 105 8.108 8.108 8.136 -0.028 25887 31 1 . 1 1 106 106 CYS N N 106 118.604 118.604 119.736 -1.132 25887 32 1 . 1 1 106 106 CYS HA H 106 4.951 4.951 4.623 0.328 25887 33 1 . 1 1 106 106 CYS C C 106 171.120 171.120 176.050 -4.930 25887 34 1 . 1 1 106 106 CYS CA C 106 53.907 53.907 58.869 -4.963 25887 35 1 . 1 1 106 106 CYS CB C 106 40.639 40.639 29.358 11.281 25887 36 1 . 1 1 106 106 CYS H H 106 8.458 8.458 8.190 0.267 25887 37 1 . 1 1 107 107 THR N N 107 113.541 113.541 118.525 -4.984 25887 38 1 . 1 1 107 107 THR HA H 107 5.500 5.500 4.243 1.257 25887 39 1 . 1 1 107 107 THR C C 107 173.592 173.592 174.609 -1.017 25887 40 1 . 1 1 107 107 THR CA C 107 60.161 60.161 64.292 -4.131 25887 41 1 . 1 1 107 107 THR CB C 107 71.879 71.879 69.301 2.578 25887 42 1 . 1 1 107 107 THR H H 107 8.400 8.400 8.770 -0.370 25887 43 1 . 1 1 108 108 GLY N N 108 110.549 110.549 108.180 2.369 25887 44 1 . 1 1 108 108 GLY C C 108 171.694 171.694 173.035 -1.341 25887 45 1 . 1 1 108 108 GLY CA C 108 45.448 45.448 44.806 0.642 25887 46 1 . 1 1 108 108 GLY H H 108 8.817 8.817 7.609 1.208 25887 47 1 . 1 1 109 109 PHE N N 109 120.830 120.830 121.028 -0.198 25887 48 1 . 1 1 109 109 PHE HA H 109 5.124 5.124 4.436 0.688 25887 49 1 . 1 1 109 109 PHE C C 109 177.225 177.225 175.898 1.327 25887 50 1 . 1 1 109 109 PHE CA C 109 58.438 58.438 57.792 0.646 25887 51 1 . 1 1 109 109 PHE CB C 109 38.408 38.408 38.530 -0.122 25887 52 1 . 1 1 109 109 PHE H H 109 8.924 8.924 8.125 0.799 25887 53 1 . 1 1 110 110 GLY N N 110 113.069 113.069 107.497 5.572 25887 54 1 . 1 1 110 110 GLY C C 110 172.546 172.546 175.065 -2.519 25887 55 1 . 1 1 110 110 GLY CA C 110 45.708 45.708 45.363 0.344 25887 56 1 . 1 1 110 110 GLY H H 110 9.442 9.442 8.179 1.263 25887 57 1 . 1 1 111 111 GLY N N 111 106.335 106.335 106.930 -0.595 25887 58 1 . 1 1 111 111 GLY C C 111 171.664 171.664 175.093 -3.429 25887 59 1 . 1 1 111 111 GLY CA C 111 44.256 44.256 44.815 -0.559 25887 60 1 . 1 1 111 111 GLY H H 111 7.095 7.095 8.041 -0.946 25887 61 1 . 1 1 112 112 CYS N N 112 111.804 111.804 118.234 -6.430 25887 62 1 . 1 1 112 112 CYS HA H 112 4.756 4.756 4.351 0.405 25887 63 1 . 1 1 112 112 CYS C C 112 171.027 171.027 174.152 -3.125 25887 64 1 . 1 1 112 112 CYS CA C 112 56.123 56.123 58.577 -2.454 25887 65 1 . 1 1 112 112 CYS CB C 112 41.790 41.790 27.871 13.919 25887 66 1 . 1 1 112 112 CYS H H 112 8.477 8.477 7.965 0.512 25887 67 1 . 1 1 113 113 SER N N 113 116.083 116.083 118.137 -2.054 25887 68 1 . 1 1 113 113 SER HA H 113 4.603 4.603 4.234 0.370 25887 69 1 . 1 1 113 113 SER C C 113 174.536 174.536 172.947 1.589 25887 70 1 . 1 1 113 113 SER CA C 113 56.493 56.493 57.556 -1.063 25887 71 1 . 1 1 113 113 SER CB C 113 65.160 65.160 64.997 0.163 25887 72 1 . 1 1 113 113 SER H H 113 8.693 8.693 8.266 0.427 25887 73 1 . 1 1 114 114 HIS N N 114 126.668 126.668 121.426 5.242 25887 74 1 . 1 1 114 114 HIS HA H 114 4.568 4.568 4.650 -0.082 25887 75 1 . 1 1 114 114 HIS C C 114 172.515 172.515 174.347 -1.832 25887 76 1 . 1 1 114 114 HIS CA C 114 56.887 56.887 56.485 0.402 25887 77 1 . 1 1 114 114 HIS CB C 114 27.276 27.276 32.307 -5.031 25887 78 1 . 1 1 114 114 HIS H H 114 11.587 11.587 8.147 3.440 25887 79 1 . 1 1 115 115 GLY N N 115 119.128 119.128 112.770 6.358 25887 80 1 . 1 1 115 115 GLY C C 115 173.018 173.018 173.798 -0.780 25887 81 1 . 1 1 115 115 GLY CA C 115 46.457 46.457 45.702 0.755 25887 82 1 . 1 1 115 115 GLY H H 115 9.361 9.361 8.717 0.644 25887 83 1 . 1 1 116 116 SER N N 116 118.656 118.656 119.913 -1.257 25887 84 1 . 1 1 116 116 SER HA H 116 4.451 4.451 4.879 -0.428 25887 85 1 . 1 1 116 116 SER C C 116 171.848 171.848 173.265 -1.417 25887 86 1 . 1 1 116 116 SER CA C 116 57.256 57.256 56.724 0.532 25887 87 1 . 1 1 116 116 SER CB C 116 64.697 64.697 66.226 -1.529 25887 88 1 . 1 1 116 116 SER H H 116 8.151 8.151 8.988 -0.837 25887 89 1 . 1 1 117 117 ARG N N 117 124.682 124.682 121.239 3.443 25887 90 1 . 1 1 117 117 ARG HA H 117 2.954 2.954 3.466 -0.512 25887 91 1 . 1 1 117 117 ARG C C 117 176.671 176.671 175.791 0.880 25887 92 1 . 1 1 117 117 ARG CA C 117 56.755 56.755 55.811 0.944 25887 93 1 . 1 1 117 117 ARG CB C 117 30.117 30.117 29.704 0.413 25887 94 1 . 1 1 117 117 ARG H H 117 7.629 7.629 8.126 -0.497 25887 95 1 . 1 1 118 118 CYS N N 118 122.932 122.932 122.640 0.292 25887 96 1 . 1 1 118 118 CYS HA H 118 4.874 4.874 4.334 0.540 25887 97 1 . 1 1 118 118 CYS C C 118 174.577 174.577 174.508 0.069 25887 98 1 . 1 1 118 118 CYS CA C 118 52.996 52.996 59.043 -6.047 25887 99 1 . 1 1 118 118 CYS CB C 118 39.297 39.297 28.181 11.116 25887 100 1 . 1 1 118 118 CYS H H 118 7.852 7.852 7.768 0.084 25887 101 1 . 1 1 119 119 LEU N N 119 120.027 120.027 122.132 -2.105 25887 102 1 . 1 1 119 119 LEU HA H 119 4.301 4.301 4.241 0.060 25887 103 1 . 1 1 119 119 LEU C C 119 178.394 178.394 178.334 0.060 25887 104 1 . 1 1 119 119 LEU CA C 119 55.216 55.216 54.444 0.772 25887 105 1 . 1 1 119 119 LEU CB C 119 41.691 41.691 42.631 -0.940 25887 106 1 . 1 1 119 119 LEU H H 119 7.980 7.980 8.373 -0.394 25887 107 1 . 1 1 120 120 ARG N N 120 120.159 120.159 122.681 -2.522 25887 108 1 . 1 1 120 120 ARG HA H 120 4.038 4.038 3.914 0.124 25887 109 1 . 1 1 120 120 ARG C C 120 175.624 175.624 176.496 -0.872 25887 110 1 . 1 1 120 120 ARG CA C 120 58.416 58.416 58.863 -0.447 25887 111 1 . 1 1 120 120 ARG CB C 120 29.988 29.988 29.885 0.103 25887 112 1 . 1 1 120 120 ARG H H 120 8.523 8.523 8.624 -0.101 25887 113 1 . 1 1 121 121 ASP N N 121 115.199 115.199 116.618 -1.419 25887 114 1 . 1 1 121 121 ASP HA H 121 4.530 4.530 4.480 0.050 25887 115 1 . 1 1 121 121 ASP C C 121 175.593 175.593 175.954 -0.361 25887 116 1 . 1 1 121 121 ASP CA C 121 54.424 54.424 55.250 -0.826 25887 117 1 . 1 1 121 121 ASP CB C 121 40.034 40.034 40.471 -0.437 25887 118 1 . 1 1 121 121 ASP H H 121 8.252 8.252 8.239 0.013 25887 119 1 . 1 1 122 122 SER N N 122 114.383 114.383 114.437 -0.054 25887 120 1 . 1 1 122 122 SER HA H 122 4.124 4.124 4.343 -0.219 25887 121 1 . 1 1 122 122 SER C C 122 173.264 173.264 174.289 -1.025 25887 122 1 . 1 1 122 122 SER CA C 122 60.703 60.703 58.790 1.913 25887 123 1 . 1 1 122 122 SER CB C 122 62.879 62.879 63.066 -0.187 25887 124 1 . 1 1 122 122 SER H H 122 7.612 7.612 7.704 -0.092 25887 125 1 . 1 1 123 123 THR N N 123 111.852 111.852 119.370 -7.518 25887 126 1 . 1 1 123 123 THR HA H 123 4.519 4.519 4.494 0.025 25887 127 1 . 1 1 123 123 THR C C 123 173.356 173.356 173.643 -0.287 25887 128 1 . 1 1 123 123 THR CA C 123 61.888 61.888 61.381 0.507 25887 129 1 . 1 1 123 123 THR CB C 123 70.830 70.830 69.469 1.361 25887 130 1 . 1 1 123 123 THR H H 123 8.413 8.413 8.213 0.200 25887 131 1 . 1 1 124 124 HIS N N 124 120.615 120.615 118.223 2.392 25887 132 1 . 1 1 124 124 HIS HA H 124 5.156 5.156 4.906 0.250 25887 133 1 . 1 1 124 124 HIS C C 124 174.177 174.177 173.786 0.391 25887 134 1 . 1 1 124 124 HIS CA C 124 56.000 56.000 55.047 0.953 25887 135 1 . 1 1 124 124 HIS CB C 124 34.744 34.744 33.542 1.202 25887 136 1 . 1 1 124 124 HIS H H 124 8.630 8.630 7.675 0.954 25887 137 1 . 1 1 125 125 CYS N N 125 115.755 115.755 118.567 -2.812 25887 138 1 . 1 1 125 125 CYS HA H 125 5.716 5.716 5.093 0.623 25887 139 1 . 1 1 125 125 CYS C C 125 174.906 174.906 173.557 1.349 25887 140 1 . 1 1 125 125 CYS CA C 125 52.172 52.172 58.218 -6.046 25887 141 1 . 1 1 125 125 CYS CB C 125 36.484 36.484 29.166 7.318 25887 142 1 . 1 1 125 125 CYS H H 125 9.102 9.102 8.546 0.556 25887 143 1 . 1 1 126 126 VAL N N 126 121.353 121.353 121.515 -0.162 25887 144 1 . 1 1 126 126 VAL HA H 126 5.199 5.199 4.772 0.427 25887 145 1 . 1 1 126 126 VAL C C 126 176.004 176.004 174.962 1.042 25887 146 1 . 1 1 126 126 VAL CA C 126 60.555 60.555 60.916 -0.361 25887 147 1 . 1 1 126 126 VAL CB C 126 35.605 35.605 35.248 0.357 25887 148 1 . 1 1 126 126 VAL H H 126 9.077 9.077 9.090 -0.013 25887 149 1 . 1 1 127 127 THR N N 127 125.497 125.497 121.988 3.509 25887 150 1 . 1 1 127 127 THR HA H 127 5.192 5.192 4.848 0.345 25887 151 1 . 1 1 127 127 THR C C 127 173.510 173.510 173.525 -0.015 25887 152 1 . 1 1 127 127 THR CA C 127 61.909 61.909 61.591 0.318 25887 153 1 . 1 1 127 127 THR CB C 127 71.018 71.018 70.317 0.701 25887 154 1 . 1 1 127 127 THR H H 127 9.031 9.031 8.608 0.423 25887 155 1 . 1 1 128 128 THR N N 128 121.196 121.196 118.214 2.982 25887 156 1 . 1 1 128 128 THR HA H 128 5.500 5.500 5.197 0.303 25887 157 1 . 1 1 128 128 THR C C 128 172.228 172.228 172.790 -0.562 25887 158 1 . 1 1 128 128 THR CA C 128 59.004 59.004 59.551 -0.547 25887 159 1 . 1 1 128 128 THR CB C 128 70.306 70.306 70.786 -0.480 25887 160 1 . 1 1 128 128 THR H H 128 9.625 9.625 8.609 1.016 25887 161 1 . 1 1 129 129 ALA N N 129 124.169 124.169 127.145 -2.976 25887 162 1 . 1 1 129 129 ALA HA H 129 5.500 5.500 5.105 0.395 25887 163 1 . 1 1 129 129 ALA C C 129 176.424 176.424 175.964 0.460 25887 164 1 . 1 1 129 129 ALA CA C 129 50.495 50.495 50.814 -0.319 25887 165 1 . 1 1 129 129 ALA CB C 129 21.348 21.348 21.069 0.279 25887 166 1 . 1 1 129 129 ALA H H 129 8.539 8.539 8.285 0.254 25887 167 1 . 1 1 130 130 THR N N 130 116.687 116.687 116.333 0.354 25887 168 1 . 1 1 130 130 THR HA H 130 4.890 4.890 4.696 0.194 25887 169 1 . 1 1 130 130 THR C C 130 172.854 172.854 173.770 -0.916 25887 170 1 . 1 1 130 130 THR CA C 130 60.678 60.678 60.479 0.199 25887 171 1 . 1 1 130 130 THR CB C 130 70.352 70.352 71.092 -0.740 25887 172 1 . 1 1 130 130 THR H H 130 8.636 8.636 8.562 0.074 25887 173 1 . 1 1 131 131 ARG N N 131 124.260 124.260 124.070 0.190 25887 174 1 . 1 1 131 131 ARG HA H 131 4.650 4.650 4.528 0.122 25887 175 1 . 1 1 131 131 ARG C C 131 175.603 175.603 175.262 0.341 25887 176 1 . 1 1 131 131 ARG CA C 131 55.458 55.458 56.141 -0.684 25887 177 1 . 1 1 131 131 ARG CB C 131 30.755 30.755 31.477 -0.722 25887 178 1 . 1 1 131 131 ARG H H 131 8.540 8.540 8.502 0.038 25887 179 1 . 1 1 132 132 VAL N N 132 121.349 121.349 120.225 1.124 25887 180 1 . 1 1 132 132 VAL HA H 132 4.232 4.232 4.297 -0.065 25887 181 1 . 1 1 132 132 VAL C C 132 175.727 175.727 175.563 0.164 25887 182 1 . 1 1 132 132 VAL CA C 132 61.835 61.835 61.626 0.209 25887 183 1 . 1 1 132 132 VAL CB C 132 32.636 32.636 32.608 0.028 25887 184 1 . 1 1 132 132 VAL H H 132 8.430 8.430 8.358 0.072 25887 185 1 . 1 1 133 133 LEU N N 133 124.364 124.364 124.827 -0.463 25887 186 1 . 1 1 133 133 LEU HA H 133 4.452 4.452 4.385 0.067 25887 187 1 . 1 1 133 133 LEU C C 133 176.753 176.753 176.959 -0.206 25887 188 1 . 1 1 133 133 LEU CA C 133 54.748 54.748 56.212 -1.464 25887 189 1 . 1 1 133 133 LEU CB C 133 41.873 41.873 42.360 -0.487 25887 190 1 . 1 1 133 133 LEU H H 133 8.246 8.246 8.289 -0.043 25887 191 1 . 1 1 134 134 SER N N 134 114.791 114.791 116.230 -1.439 25887 192 1 . 1 1 134 134 SER HA H 134 4.490 4.490 4.410 0.080 25887 193 1 . 1 1 134 134 SER C C 134 173.900 173.900 174.891 -0.991 25887 194 1 . 1 1 134 134 SER CA C 134 57.970 57.970 58.815 -0.845 25887 195 1 . 1 1 134 134 SER CB C 134 63.375 63.375 63.833 -0.458 25887 196 1 . 1 1 134 134 SER H H 134 8.078 8.078 8.167 -0.089 25887 197 1 . 1 1 135 135 ASN N N 135 119.634 119.634 120.040 -0.406 25887 198 1 . 1 1 135 135 ASN HA H 135 4.777 4.777 4.653 0.124 25887 199 1 . 1 1 135 135 ASN C C 135 175.337 175.337 175.295 0.042 25887 200 1 . 1 1 135 135 ASN CA C 135 53.070 53.070 54.220 -1.151 25887 201 1 . 1 1 135 135 ASN CB C 135 38.346 38.346 38.389 -0.043 25887 202 1 . 1 1 135 135 ASN H H 135 8.287 8.287 8.408 -0.121 25887 203 1 . 1 1 136 136 THR N N 136 112.097 112.097 112.202 -0.105 25887 204 1 . 1 1 136 136 THR HA H 136 4.311 4.311 4.245 0.066 25887 205 1 . 1 1 136 136 THR C C 136 174.280 174.280 174.109 0.170 25887 206 1 . 1 1 136 136 THR CA C 136 62.131 62.131 62.777 -0.646 25887 207 1 . 1 1 136 136 THR CB C 136 69.106 69.106 69.059 0.047 25887 208 1 . 1 1 136 136 THR H H 136 8.085 8.085 7.763 0.322 25887 209 1 . 1 1 137 137 GLU N N 137 120.207 120.207 121.916 -1.709 25887 210 1 . 1 1 137 137 GLU HA H 137 4.364 4.364 4.409 -0.045 25887 211 1 . 1 1 137 137 GLU C C 137 175.296 175.296 175.549 -0.253 25887 212 1 . 1 1 137 137 GLU CA C 137 55.754 55.754 56.185 -0.431 25887 213 1 . 1 1 137 137 GLU CB C 137 29.189 29.189 30.912 -1.723 25887 214 1 . 1 1 137 137 GLU H H 137 8.035 8.035 8.100 -0.065 25887 215 1 . 1 1 138 138 ASP N N 138 119.742 119.742 120.775 -1.033 25887 216 1 . 1 1 138 138 ASP HA H 138 4.605 4.605 4.605 -0.000 25887 217 1 . 1 1 138 138 ASP C C 138 174.978 174.978 176.195 -1.217 25887 218 1 . 1 1 138 138 ASP CA C 138 53.880 53.880 55.029 -1.149 25887 219 1 . 1 1 138 138 ASP CB C 138 40.235 40.235 41.308 -1.073 25887 220 1 . 1 1 138 138 ASP H H 138 8.097 8.097 8.500 -0.403 25887 221 1 . 1 1 139 139 LEU N N 139 121.008 121.008 118.129 2.879 25887 222 1 . 1 1 139 139 LEU HA H 139 4.777 4.777 4.615 0.162 25887 223 1 . 1 1 139 139 LEU CA C 139 52.011 52.011 52.585 -0.574 25887 224 1 . 1 1 139 139 LEU CB C 139 42.693 42.693 41.857 0.836 25887 225 1 . 1 1 139 139 LEU H H 139 8.021 8.021 7.598 0.423 25887 226 1 . 1 1 140 140 PRO HA H 140 4.634 4.634 4.463 0.171 25887 227 1 . 1 1 140 140 PRO C C 140 175.419 175.419 175.671 -0.252 25887 228 1 . 1 1 140 140 PRO CA C 140 62.063 62.063 62.328 -0.265 25887 229 1 . 1 1 140 140 PRO CB C 140 31.890 31.890 32.673 -0.783 25887 230 1 . 1 1 141 141 LEU N N 141 123.715 123.715 121.965 1.750 25887 231 1 . 1 1 141 141 LEU HA H 141 4.176 4.176 4.505 -0.329 25887 232 1 . 1 1 141 141 LEU C C 141 175.870 175.870 175.358 0.512 25887 233 1 . 1 1 141 141 LEU CA C 141 55.190 55.190 54.040 1.150 25887 234 1 . 1 1 141 141 LEU CB C 141 41.678 41.678 43.557 -1.879 25887 235 1 . 1 1 141 141 LEU H H 141 8.569 8.569 8.068 0.501 25887 236 1 . 1 1 142 142 VAL N N 142 131.573 131.573 125.473 6.100 25887 237 1 . 1 1 142 142 VAL HA H 142 5.150 5.150 4.636 0.514 25887 238 1 . 1 1 142 142 VAL C C 142 174.198 174.198 175.300 -1.102 25887 239 1 . 1 1 142 142 VAL CA C 142 60.583 60.583 61.081 -0.498 25887 240 1 . 1 1 142 142 VAL CB C 142 33.230 33.230 33.511 -0.281 25887 241 1 . 1 1 142 142 VAL H H 142 9.005 9.005 8.284 0.721 25887 242 1 . 1 1 143 143 THR N N 143 121.430 121.430 123.242 -1.812 25887 243 1 . 1 1 143 143 THR HA H 143 4.967 4.967 4.761 0.206 25887 244 1 . 1 1 143 143 THR C C 143 172.546 172.546 173.446 -0.900 25887 245 1 . 1 1 143 143 THR CA C 143 61.343 61.343 62.090 -0.747 25887 246 1 . 1 1 143 143 THR CB C 143 69.917 69.917 70.219 -0.302 25887 247 1 . 1 1 143 143 THR H H 143 8.744 8.744 8.540 0.204 25887 248 1 . 1 1 144 144 LYS N N 144 126.310 126.310 127.513 -1.203 25887 249 1 . 1 1 144 144 LYS HA H 144 5.589 5.589 5.284 0.305 25887 250 1 . 1 1 144 144 LYS C C 144 175.839 175.839 175.916 -0.077 25887 251 1 . 1 1 144 144 LYS CA C 144 54.667 54.667 55.102 -0.435 25887 252 1 . 1 1 144 144 LYS CB C 144 35.577 35.577 35.443 0.134 25887 253 1 . 1 1 144 144 LYS H H 144 9.397 9.397 8.278 1.119 25887 254 1 . 1 1 145 145 MET N N 145 117.942 117.942 118.691 -0.749 25887 255 1 . 1 1 145 145 MET HA H 145 5.058 5.058 4.962 0.096 25887 256 1 . 1 1 145 145 MET C C 145 174.454 174.454 173.396 1.058 25887 257 1 . 1 1 145 145 MET CA C 145 54.843 54.843 54.462 0.381 25887 258 1 . 1 1 145 145 MET CB C 145 35.827 35.827 35.586 0.241 25887 259 1 . 1 1 145 145 MET H H 145 8.729 8.729 8.701 0.028 25887 260 1 . 1 1 146 146 CYS N N 146 119.031 119.031 118.064 0.967 25887 261 1 . 1 1 146 146 CYS HA H 146 5.508 5.508 5.395 0.113 25887 262 1 . 1 1 146 146 CYS C C 146 175.029 175.029 174.242 0.787 25887 263 1 . 1 1 146 146 CYS CA C 146 56.669 56.669 57.802 -1.133 25887 264 1 . 1 1 146 146 CYS CB C 146 46.298 46.298 30.342 15.956 25887 265 1 . 1 1 146 146 CYS H H 146 8.642 8.642 8.496 0.146 25887 266 1 . 1 1 147 147 HIS N N 147 120.858 120.858 118.994 1.864 25887 267 1 . 1 1 147 147 HIS HA H 147 4.643 4.643 4.754 -0.111 25887 268 1 . 1 1 147 147 HIS C C 147 173.223 173.223 174.361 -1.138 25887 269 1 . 1 1 147 147 HIS CA C 147 57.601 57.601 56.075 1.526 25887 270 1 . 1 1 147 147 HIS CB C 147 33.820 33.820 33.508 0.312 25887 271 1 . 1 1 147 147 HIS H H 147 9.423 9.423 8.713 0.710 25887 272 1 . 1 1 148 148 ILE N N 148 125.370 125.370 121.704 3.666 25887 273 1 . 1 1 148 148 ILE HA H 148 4.370 4.370 4.204 0.167 25887 274 1 . 1 1 148 148 ILE CA C 148 62.538 62.538 61.605 0.933 25887 275 1 . 1 1 148 148 ILE CB C 148 36.096 36.096 36.237 -0.141 25887 276 1 . 1 1 148 148 ILE H H 148 8.374 8.374 8.132 0.242 25887 277 1 . 1 1 149 149 GLY N N 149 118.093 118.093 110.589 7.504 25887 278 1 . 1 1 149 149 GLY C C 149 170.853 170.853 172.630 -1.777 25887 279 1 . 1 1 149 149 GLY CA C 149 43.541 43.541 45.056 -1.515 25887 280 1 . 1 1 149 149 GLY H H 149 8.367 8.367 7.760 0.607 25887 281 1 . 1 1 150 150 CYS N N 150 118.529 118.529 121.312 -2.783 25887 282 1 . 1 1 150 150 CYS HA H 150 4.818 4.818 4.807 0.011 25887 283 1 . 1 1 150 150 CYS CA C 150 50.265 50.265 56.671 -6.406 25887 284 1 . 1 1 150 150 CYS CB C 150 38.752 38.752 26.426 12.326 25887 285 1 . 1 1 150 150 CYS H H 150 8.187 8.187 8.458 -0.271 25887 286 1 . 1 1 151 151 PRO HA H 151 4.344 4.344 4.505 -0.161 25887 287 1 . 1 1 151 151 PRO CA C 151 62.428 62.428 62.837 -0.409 25887 288 1 . 1 1 151 151 PRO CB C 151 31.672 31.672 32.198 -0.526 25887 289 1 . 1 1 152 152 ASP N N 152 117.148 117.148 120.010 -2.862 25887 290 1 . 1 1 152 152 ASP HA H 152 4.640 4.640 4.585 0.055 25887 291 1 . 1 1 152 152 ASP C C 152 175.624 175.624 175.639 -0.015 25887 292 1 . 1 1 152 152 ASP CA C 152 51.410 51.410 54.231 -2.821 25887 293 1 . 1 1 152 152 ASP CB C 152 41.691 41.691 41.211 0.480 25887 294 1 . 1 1 152 152 ASP H H 152 7.668 7.668 8.304 -0.636 25887 295 1 . 1 1 153 153 ILE N N 153 119.719 119.719 121.450 -1.731 25887 296 1 . 1 1 153 153 ILE HA H 153 3.913 3.913 4.217 -0.304 25887 297 1 . 1 1 153 153 ILE CA C 153 64.996 64.996 59.586 5.410 25887 298 1 . 1 1 153 153 ILE CB C 153 35.994 35.994 37.927 -1.933 25887 299 1 . 1 1 153 153 ILE H H 153 8.327 8.327 8.122 0.204 25887 300 1 . 1 1 154 154 PRO HA H 154 4.364 4.364 4.433 -0.069 25887 301 1 . 1 1 154 154 PRO C C 154 178.333 178.333 178.105 0.228 25887 302 1 . 1 1 154 154 PRO CA C 154 65.003 65.003 64.462 0.541 25887 303 1 . 1 1 154 154 PRO CB C 154 30.777 30.777 31.879 -1.102 25887 304 1 . 1 1 155 155 SER N N 155 112.667 112.667 114.410 -1.743 25887 305 1 . 1 1 155 155 SER HA H 155 4.303 4.303 4.278 0.025 25887 306 1 . 1 1 155 155 SER C C 155 175.450 175.450 175.576 -0.126 25887 307 1 . 1 1 155 155 SER CA C 155 60.312 60.312 60.222 0.090 25887 308 1 . 1 1 155 155 SER CB C 155 62.816 62.816 62.763 0.054 25887 309 1 . 1 1 155 155 SER H H 155 7.883 7.883 8.217 -0.334 25887 310 1 . 1 1 156 156 LEU N N 156 120.903 120.903 119.601 1.302 25887 311 1 . 1 1 156 156 LEU HA H 156 4.305 4.305 4.277 0.028 25887 312 1 . 1 1 156 156 LEU C C 156 177.974 177.974 176.595 1.379 25887 313 1 . 1 1 156 156 LEU CA C 156 55.516 55.516 55.537 -0.021 25887 314 1 . 1 1 156 156 LEU CB C 156 42.080 42.080 42.151 -0.071 25887 315 1 . 1 1 156 156 LEU H H 156 7.770 7.770 7.381 0.389 25887 316 1 . 1 1 157 157 GLY N N 157 105.004 105.004 105.867 -0.863 25887 317 1 . 1 1 157 157 GLY C C 157 174.321 174.321 173.823 0.498 25887 318 1 . 1 1 157 157 GLY CA C 157 46.187 46.187 45.158 1.029 25887 319 1 . 1 1 157 157 GLY H H 157 7.666 7.666 7.453 0.213 25887 320 1 . 1 1 158 158 LEU N N 158 119.534 119.534 120.437 -0.903 25887 321 1 . 1 1 158 158 LEU HA H 158 4.532 4.532 4.567 -0.034 25887 322 1 . 1 1 158 158 LEU C C 158 176.712 176.712 177.123 -0.411 25887 323 1 . 1 1 158 158 LEU CA C 158 53.760 53.760 55.327 -1.567 25887 324 1 . 1 1 158 158 LEU CB C 158 42.761 42.761 42.450 0.311 25887 325 1 . 1 1 158 158 LEU H H 158 8.203 8.203 8.237 -0.034 25887 326 1 . 1 1 159 159 GLY N N 159 108.700 108.700 107.368 1.332 25887 327 1 . 1 1 159 159 GLY CA C 159 44.416 44.416 45.322 -0.906 25887 328 1 . 1 1 159 159 GLY H H 159 8.055 8.055 7.986 0.069 25887 329 1 . 1 1 160 160 PRO HA H 160 4.376 4.376 4.360 0.016 25887 330 1 . 1 1 160 160 PRO C C 160 177.112 177.112 176.311 0.801 25887 331 1 . 1 1 160 160 PRO CA C 160 63.311 63.311 63.684 -0.373 25887 332 1 . 1 1 160 160 PRO CB C 160 31.562 31.562 31.924 -0.361 25887 333 1 . 1 1 161 161 TYR N N 161 119.287 119.287 117.406 1.881 25887 334 1 . 1 1 161 161 TYR HA H 161 4.818 4.818 4.511 0.307 25887 335 1 . 1 1 161 161 TYR CA C 161 56.419 56.419 57.672 -1.253 25887 336 1 . 1 1 161 161 TYR CB C 161 36.961 36.961 38.087 -1.126 25887 337 1 . 1 1 161 161 TYR H H 161 8.130 8.130 7.731 0.399 25887 338 1 . 1 1 162 162 VAL HA H 162 4.733 4.733 4.215 0.518 25887 339 1 . 1 1 162 162 VAL CA C 162 60.346 60.346 62.124 -1.778 25887 340 1 . 1 1 162 162 VAL CB C 162 38.408 38.408 33.671 4.737 25887 341 1 . 1 1 163 163 SER N N 163 119.428 119.428 121.713 -2.285 25887 342 1 . 1 1 163 163 SER HA H 163 4.788 4.788 4.692 0.096 25887 343 1 . 1 1 163 163 SER C C 163 173.141 173.141 173.223 -0.082 25887 344 1 . 1 1 163 163 SER CA C 163 56.672 56.672 57.844 -1.172 25887 345 1 . 1 1 163 163 SER CB C 163 64.650 64.650 64.184 0.466 25887 346 1 . 1 1 163 163 SER H H 163 8.641 8.641 8.326 0.315 25887 347 1 . 1 1 164 164 ILE N N 164 123.448 123.448 124.693 -1.245 25887 348 1 . 1 1 164 164 ILE HA H 164 4.746 4.746 4.764 -0.018 25887 349 1 . 1 1 164 164 ILE CA C 164 60.629 60.629 60.187 0.442 25887 350 1 . 1 1 164 164 ILE CB C 164 41.311 41.311 40.563 0.748 25887 351 1 . 1 1 164 164 ILE H H 164 8.496 8.496 8.495 0.001 25887 352 1 . 1 1 165 165 ALA N N 165 129.783 129.783 130.410 -0.628 25887 353 1 . 1 1 165 165 ALA HA H 165 4.870 4.870 4.777 0.093 25887 354 1 . 1 1 165 165 ALA C C 165 176.219 176.219 175.746 0.473 25887 355 1 . 1 1 165 165 ALA CA C 165 50.780 50.780 51.042 -0.262 25887 356 1 . 1 1 165 165 ALA CB C 165 21.348 21.348 20.476 0.872 25887 357 1 . 1 1 165 165 ALA H H 165 8.941 8.941 8.721 0.220 25887 358 1 . 1 1 166 166 CYS N N 166 119.842 119.842 121.327 -1.485 25887 359 1 . 1 1 166 166 CYS HA H 166 5.552 5.552 5.387 0.165 25887 360 1 . 1 1 166 166 CYS C C 166 172.289 172.289 175.048 -2.759 25887 361 1 . 1 1 166 166 CYS CA C 166 53.119 53.119 57.328 -4.209 25887 362 1 . 1 1 166 166 CYS CB C 166 48.826 48.826 28.576 20.250 25887 363 1 . 1 1 166 166 CYS H H 166 9.049 9.049 8.517 0.532 25887 364 1 . 1 1 167 167 CYS N N 167 118.569 118.569 120.280 -1.711 25887 365 1 . 1 1 167 167 CYS HA H 167 5.236 5.236 4.866 0.370 25887 366 1 . 1 1 167 167 CYS C C 167 173.562 173.562 173.483 0.079 25887 367 1 . 1 1 167 167 CYS CA C 167 55.141 55.141 58.105 -2.964 25887 368 1 . 1 1 167 167 CYS CB C 167 45.463 45.463 30.307 15.156 25887 369 1 . 1 1 167 167 CYS H H 167 9.297 9.297 8.931 0.366 25887 370 1 . 1 1 168 168 GLN N N 168 118.916 118.916 120.366 -1.450 25887 371 1 . 1 1 168 168 GLN HA H 168 4.830 4.830 4.424 0.406 25887 372 1 . 1 1 168 168 GLN C C 168 174.362 174.362 174.764 -0.402 25887 373 1 . 1 1 168 168 GLN CA C 168 55.985 55.985 55.451 0.534 25887 374 1 . 1 1 168 168 GLN CB C 168 31.688 31.688 27.231 4.457 25887 375 1 . 1 1 168 168 GLN H H 168 9.105 9.105 8.614 0.491 25887 376 1 . 1 1 169 169 THR N N 169 110.926 110.926 112.457 -1.531 25887 377 1 . 1 1 169 169 THR HA H 169 4.813 4.813 4.570 0.243 25887 378 1 . 1 1 169 169 THR C C 169 173.859 173.859 174.027 -0.168 25887 379 1 . 1 1 169 169 THR CA C 169 60.038 60.038 60.125 -0.087 25887 380 1 . 1 1 169 169 THR CB C 169 71.377 71.377 71.626 -0.249 25887 381 1 . 1 1 169 169 THR H H 169 7.540 7.540 7.470 0.070 25887 382 1 . 1 1 170 170 SER N N 170 117.386 117.386 119.755 -2.369 25887 383 1 . 1 1 170 170 SER HA H 170 4.850 4.850 4.314 0.536 25887 384 1 . 1 1 170 170 SER C C 170 175.757 175.757 175.514 0.243 25887 385 1 . 1 1 170 170 SER CA C 170 60.987 60.987 59.004 1.983 25887 386 1 . 1 1 170 170 SER CB C 170 63.104 63.104 63.407 -0.303 25887 387 1 . 1 1 170 170 SER H H 170 8.814 8.814 8.567 0.247 25887 388 1 . 1 1 171 171 LEU N N 171 116.724 116.724 119.188 -2.464 25887 389 1 . 1 1 171 171 LEU HA H 171 3.660 3.660 3.815 -0.155 25887 390 1 . 1 1 171 171 LEU C C 171 176.055 176.055 177.245 -1.190 25887 391 1 . 1 1 171 171 LEU CA C 171 56.025 56.025 55.472 0.553 25887 392 1 . 1 1 171 171 LEU CB C 171 37.288 37.288 39.111 -1.823 25887 393 1 . 1 1 171 171 LEU H H 171 9.570 9.570 8.573 0.997 25887 394 1 . 1 1 172 172 CYS N N 172 113.842 113.842 113.786 0.056 25887 395 1 . 1 1 172 172 CYS HA H 172 4.614 4.614 4.563 0.051 25887 396 1 . 1 1 172 172 CYS C C 172 174.424 174.424 174.967 -0.543 25887 397 1 . 1 1 172 172 CYS CA C 172 57.810 57.810 57.776 0.034 25887 398 1 . 1 1 172 172 CYS CB C 172 45.571 45.571 25.941 19.630 25887 399 1 . 1 1 172 172 CYS H H 172 8.221 8.221 7.811 0.410 25887 400 1 . 1 1 173 173 ASN N N 173 121.019 121.019 117.943 3.076 25887 401 1 . 1 1 173 173 ASN HA H 173 4.757 4.757 4.863 -0.106 25887 402 1 . 1 1 173 173 ASN C C 173 174.239 174.239 175.451 -1.212 25887 403 1 . 1 1 173 173 ASN CA C 173 51.765 51.765 53.360 -1.595 25887 404 1 . 1 1 173 173 ASN CB C 173 35.401 35.401 38.885 -3.484 25887 405 1 . 1 1 173 173 ASN H H 173 8.458 8.458 8.219 0.239 25887 406 1 . 1 1 174 174 HIS N N 174 115.973 115.973 118.980 -3.007 25887 407 1 . 1 1 174 174 HIS HA H 174 4.312 4.312 4.635 -0.323 25887 408 1 . 1 1 174 174 HIS C C 174 173.213 173.213 174.676 -1.463 25887 409 1 . 1 1 174 174 HIS CA C 174 53.844 53.844 55.845 -2.001 25887 410 1 . 1 1 174 174 HIS CB C 174 29.110 29.110 30.831 -1.721 25887 411 1 . 1 1 174 174 HIS H H 174 7.170 7.170 7.645 -0.475 25887 stop_ save_