data_25240 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25240 _Entry.PDB_ID 2MV2 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 25240 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 126.020 126.020 129.874 -3.854 25240 2 1 1 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.604 -0.397 25240 3 1 1 . 1 1 2 2 ALA C C 2 177.605 177.605 176.556 1.049 25240 4 1 1 . 1 1 2 2 ALA CA C 2 52.442 52.442 51.577 0.865 25240 5 1 1 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.228 -0.093 25240 6 1 1 . 1 1 2 2 ALA H H 2 8.306 8.306 8.613 -0.307 25240 7 1 1 . 1 1 3 3 SER N N 3 115.214 115.214 113.972 1.242 25240 8 1 1 . 1 1 3 3 SER HA H 3 4.282 4.282 4.115 0.167 25240 9 1 1 . 1 1 3 3 SER C C 3 174.965 174.965 174.254 0.711 25240 10 1 1 . 1 1 3 3 SER CA C 3 58.165 58.165 59.074 -0.909 25240 11 1 1 . 1 1 3 3 SER CB C 3 64.003 64.003 61.797 2.206 25240 12 1 1 . 1 1 3 3 SER H H 3 8.183 8.183 8.070 0.113 25240 13 1 1 . 1 1 4 4 GLY N N 4 110.858 110.858 110.437 0.421 25240 14 1 1 . 1 1 4 4 GLY C C 4 173.716 173.716 172.612 1.104 25240 15 1 1 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.800 0.203 25240 16 1 1 . 1 1 4 4 GLY H H 4 8.279 8.279 8.422 -0.143 25240 17 1 1 . 1 1 5 5 VAL N N 5 119.961 119.961 122.569 -2.608 25240 18 1 1 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.741 -0.613 25240 19 1 1 . 1 1 5 5 VAL C C 5 176.275 176.275 176.050 0.225 25240 20 1 1 . 1 1 5 5 VAL CA C 5 62.172 62.172 60.576 1.596 25240 21 1 1 . 1 1 5 5 VAL CB C 5 32.641 32.641 34.667 -2.026 25240 22 1 1 . 1 1 5 5 VAL H H 5 7.672 7.672 7.929 -0.257 25240 23 1 1 . 1 1 6 6 THR N N 6 115.480 115.480 123.545 -8.065 25240 24 1 1 . 1 1 6 6 THR HA H 6 4.487 4.487 4.527 -0.040 25240 25 1 1 . 1 1 6 6 THR C C 6 173.252 173.252 173.371 -0.119 25240 26 1 1 . 1 1 6 6 THR CA C 6 59.882 59.882 61.941 -2.059 25240 27 1 1 . 1 1 6 6 THR CB C 6 71.328 71.328 69.774 1.554 25240 28 1 1 . 1 1 6 6 THR H H 6 7.756 7.756 8.377 -0.621 25240 29 1 1 . 1 1 7 7 VAL N N 7 120.262 120.262 127.718 -7.456 25240 30 1 1 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.187 -0.108 25240 31 1 1 . 1 1 7 7 VAL C C 7 176.215 176.215 175.960 0.255 25240 32 1 1 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.462 0.595 25240 33 1 1 . 1 1 7 7 VAL CB C 7 33.557 33.557 31.659 1.898 25240 34 1 1 . 1 1 7 7 VAL H H 7 8.447 8.447 8.629 -0.182 25240 35 1 1 . 1 1 8 8 SER N N 8 124.247 124.247 122.677 1.570 25240 36 1 1 . 1 1 8 8 SER HA H 8 4.271 4.271 4.430 -0.159 25240 37 1 1 . 1 1 8 8 SER C C 8 175.892 175.892 175.240 0.652 25240 38 1 1 . 1 1 8 8 SER CA C 8 58.738 58.738 58.712 0.026 25240 39 1 1 . 1 1 8 8 SER CB C 8 64.003 64.003 63.951 0.052 25240 40 1 1 . 1 1 8 8 SER H H 8 8.816 8.816 8.844 -0.028 25240 41 1 1 . 1 1 9 9 ASP N N 9 125.176 125.176 123.662 1.514 25240 42 1 1 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.432 -0.123 25240 43 1 1 . 1 1 9 9 ASP C C 9 178.492 178.492 177.784 0.708 25240 44 1 1 . 1 1 9 9 ASP CA C 9 57.937 57.937 57.094 0.843 25240 45 1 1 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.519 -0.324 25240 46 1 1 . 1 1 9 9 ASP H H 9 9.033 9.033 8.897 0.136 25240 47 1 1 . 1 1 10 10 VAL N N 10 117.738 117.738 118.969 -1.231 25240 48 1 1 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.766 0.328 25240 49 1 1 . 1 1 10 10 VAL C C 10 179.439 179.439 177.454 1.985 25240 50 1 1 . 1 1 10 10 VAL CA C 10 64.575 64.575 66.496 -1.921 25240 51 1 1 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.267 0.229 25240 52 1 1 . 1 1 10 10 VAL H H 10 8.078 8.078 8.014 0.064 25240 53 1 1 . 1 1 11 11 CYS N N 11 121.775 121.775 117.608 4.167 25240 54 1 1 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.413 -0.499 25240 55 1 1 . 1 1 11 11 CYS C C 11 176.094 176.094 176.667 -0.573 25240 56 1 1 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.242 1.532 25240 57 1 1 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.031 0.001 25240 58 1 1 . 1 1 11 11 CYS H H 11 7.922 7.922 7.889 0.033 25240 59 1 1 . 1 1 12 12 LYS N N 12 117.392 117.392 121.286 -3.894 25240 60 1 1 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.093 -0.179 25240 61 1 1 . 1 1 12 12 LYS C C 12 179.097 179.097 178.500 0.597 25240 62 1 1 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.206 -0.438 25240 63 1 1 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.456 -0.502 25240 64 1 1 . 1 1 12 12 LYS H H 12 7.010 7.010 7.788 -0.778 25240 65 1 1 . 1 1 13 13 THR N N 13 114.683 114.683 115.096 -0.413 25240 66 1 1 . 1 1 13 13 THR HA H 13 3.951 3.951 4.281 -0.330 25240 67 1 1 . 1 1 13 13 THR C C 13 177.424 177.424 176.811 0.613 25240 68 1 1 . 1 1 13 13 THR CA C 13 66.063 66.063 66.106 -0.043 25240 69 1 1 . 1 1 13 13 THR CB C 13 67.666 67.666 68.679 -1.013 25240 70 1 1 . 1 1 13 13 THR H H 13 8.309 8.309 8.120 0.189 25240 71 1 1 . 1 1 14 14 THR N N 14 118.012 118.012 118.605 -0.593 25240 72 1 1 . 1 1 14 14 THR HA H 14 4.015 4.015 3.878 0.137 25240 73 1 1 . 1 1 14 14 THR C C 14 176.316 176.316 175.767 0.549 25240 74 1 1 . 1 1 14 14 THR CA C 14 67.208 67.208 66.862 0.346 25240 75 1 1 . 1 1 14 14 THR CB C 14 62.515 62.515 68.618 -6.103 25240 76 1 1 . 1 1 14 14 THR H H 14 8.138 8.138 7.679 0.459 25240 77 1 1 . 1 1 15 15 TYR N N 15 120.840 120.840 123.140 -2.300 25240 78 1 1 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.098 0.039 25240 79 1 1 . 1 1 15 15 TYR C C 15 177.081 177.081 176.958 0.123 25240 80 1 1 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.911 -1.227 25240 81 1 1 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.452 -0.088 25240 82 1 1 . 1 1 15 15 TYR H H 15 7.740 7.740 8.079 -0.339 25240 83 1 1 . 1 1 16 16 GLU N N 16 120.605 120.605 117.744 2.861 25240 84 1 1 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.923 -0.388 25240 85 1 1 . 1 1 16 16 GLU C C 16 178.673 178.673 179.101 -0.428 25240 86 1 1 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.338 0.659 25240 87 1 1 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.014 -0.265 25240 88 1 1 . 1 1 16 16 GLU H H 16 8.182 8.182 8.780 -0.599 25240 89 1 1 . 1 1 17 17 GLU N N 17 117.384 117.384 120.246 -2.862 25240 90 1 1 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.074 0.047 25240 91 1 1 . 1 1 17 17 GLU C C 17 179.399 179.399 178.920 0.479 25240 92 1 1 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.700 0.152 25240 93 1 1 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.692 -0.256 25240 94 1 1 . 1 1 17 17 GLU H H 17 7.839 7.839 7.572 0.267 25240 95 1 1 . 1 1 18 18 ILE N N 18 118.004 118.004 119.121 -1.117 25240 96 1 1 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.909 -0.376 25240 97 1 1 . 1 1 18 18 ILE C C 18 177.081 177.081 176.750 0.331 25240 98 1 1 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.427 2.865 25240 99 1 1 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.015 0.463 25240 100 1 1 . 1 1 18 18 ILE H H 18 7.558 7.558 8.081 -0.523 25240 101 1 1 . 1 1 19 19 LYS N N 19 121.213 121.213 117.537 3.676 25240 102 1 1 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.056 -0.407 25240 103 1 1 . 1 1 19 19 LYS C C 19 176.719 176.719 177.104 -0.385 25240 104 1 1 . 1 1 19 19 LYS CA C 19 59.081 59.081 57.996 1.085 25240 105 1 1 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.262 0.951 25240 106 1 1 . 1 1 19 19 LYS H H 19 8.387 8.387 7.947 0.440 25240 107 1 1 . 1 1 20 20 LYS N N 20 115.307 115.307 118.959 -3.652 25240 108 1 1 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.313 -0.192 25240 109 1 1 . 1 1 20 20 LYS C C 20 178.008 178.008 177.289 0.719 25240 110 1 1 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.779 0.158 25240 111 1 1 . 1 1 20 20 LYS CB C 20 32.755 32.755 32.941 -0.186 25240 112 1 1 . 1 1 20 20 LYS H H 20 8.608 8.608 7.246 1.362 25240 113 1 1 . 1 1 21 21 ASP N N 21 113.556 113.556 117.773 -4.217 25240 114 1 1 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.679 -0.058 25240 115 1 1 . 1 1 21 21 ASP C C 21 175.147 175.147 175.500 -0.353 25240 116 1 1 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.950 0.782 25240 117 1 1 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.972 0.741 25240 118 1 1 . 1 1 21 21 ASP H H 21 6.395 6.395 8.087 -1.692 25240 119 1 1 . 1 1 22 22 LYS N N 22 116.543 116.543 114.838 1.705 25240 120 1 1 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.949 -0.168 25240 121 1 1 . 1 1 22 22 LYS C C 22 176.900 176.900 176.000 0.900 25240 122 1 1 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.547 -0.183 25240 123 1 1 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.185 -1.321 25240 124 1 1 . 1 1 22 22 LYS H H 22 7.402 7.402 8.290 -0.888 25240 125 1 1 . 1 1 23 23 LYS N N 23 114.417 114.417 117.411 -2.994 25240 126 1 1 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.358 -0.804 25240 127 1 1 . 1 1 23 23 LYS C C 23 175.106 175.106 176.120 -1.014 25240 128 1 1 . 1 1 23 23 LYS CA C 23 58.623 58.623 55.910 2.713 25240 129 1 1 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.488 1.527 25240 130 1 1 . 1 1 23 23 LYS H H 23 7.512 7.512 8.014 -0.502 25240 131 1 1 . 1 1 24 24 HIS N N 24 108.361 108.361 117.020 -8.659 25240 132 1 1 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.628 -0.840 25240 133 1 1 . 1 1 24 24 HIS C C 24 175.308 175.308 174.004 1.304 25240 134 1 1 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.250 -3.952 25240 135 1 1 . 1 1 24 24 HIS CB C 24 32.412 32.412 28.460 3.952 25240 136 1 1 . 1 1 24 24 HIS H H 24 6.099 6.099 8.000 -1.901 25240 137 1 1 . 1 1 25 25 ARG N N 25 120.707 120.707 121.331 -0.624 25240 138 1 1 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.046 0.062 25240 139 1 1 . 1 1 25 25 ARG C C 25 173.091 173.091 175.333 -2.242 25240 140 1 1 . 1 1 25 25 ARG CA C 25 55.189 55.189 58.464 -3.275 25240 141 1 1 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.059 -0.478 25240 142 1 1 . 1 1 25 25 ARG H H 25 8.066 8.066 8.267 -0.201 25240 143 1 1 . 1 1 26 26 TYR N N 26 106.634 106.634 109.378 -2.744 25240 144 1 1 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.451 -0.385 25240 145 1 1 . 1 1 26 26 TYR C C 26 172.224 172.224 173.457 -1.233 25240 146 1 1 . 1 1 26 26 TYR CA C 26 54.732 54.732 54.722 0.009 25240 147 1 1 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.306 0.805 25240 148 1 1 . 1 1 26 26 TYR H H 26 6.515 6.515 7.561 -1.046 25240 149 1 1 . 1 1 27 27 VAL N N 27 116.941 116.941 123.360 -6.419 25240 150 1 1 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.383 0.380 25240 151 1 1 . 1 1 27 27 VAL C C 27 173.514 173.514 173.603 -0.089 25240 152 1 1 . 1 1 27 27 VAL CA C 27 59.310 59.310 59.345 -0.035 25240 153 1 1 . 1 1 27 27 VAL CB C 27 36.189 36.189 34.460 1.729 25240 154 1 1 . 1 1 27 27 VAL H H 27 8.843 8.843 8.504 0.339 25240 155 1 1 . 1 1 28 28 ILE N N 28 125.708 125.708 130.656 -4.948 25240 156 1 1 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.717 0.324 25240 157 1 1 . 1 1 28 28 ILE C C 28 175.590 175.590 174.982 0.608 25240 158 1 1 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.788 -1.394 25240 159 1 1 . 1 1 28 28 ILE CB C 28 38.135 38.135 37.724 0.411 25240 160 1 1 . 1 1 28 28 ILE H H 28 8.915 8.915 8.871 0.044 25240 161 1 1 . 1 1 29 29 PHE N N 29 125.649 125.649 126.691 -1.042 25240 162 1 1 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.075 0.785 25240 163 1 1 . 1 1 29 29 PHE C C 29 173.958 173.958 175.714 -1.756 25240 164 1 1 . 1 1 29 29 PHE CA C 29 55.991 55.991 57.342 -1.351 25240 165 1 1 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.574 2.025 25240 166 1 1 . 1 1 29 29 PHE H H 29 9.597 9.597 8.996 0.601 25240 167 1 1 . 1 1 30 30 TYR N N 30 120.134 120.134 121.973 -1.839 25240 168 1 1 . 1 1 30 30 TYR HA H 30 5.383 5.383 5.095 0.288 25240 169 1 1 . 1 1 30 30 TYR C C 30 176.840 176.840 174.422 2.418 25240 170 1 1 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.803 -2.300 25240 171 1 1 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.714 -1.687 25240 172 1 1 . 1 1 30 30 TYR H H 30 9.556 9.556 9.416 0.140 25240 173 1 1 . 1 1 31 31 ILE N N 31 118.577 118.577 122.947 -4.370 25240 174 1 1 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.660 -0.579 25240 175 1 1 . 1 1 31 31 ILE C C 31 174.562 174.562 174.529 0.033 25240 176 1 1 . 1 1 31 31 ILE CA C 31 61.141 61.141 60.700 0.441 25240 177 1 1 . 1 1 31 31 ILE CB C 31 37.105 37.105 39.867 -2.762 25240 178 1 1 . 1 1 31 31 ILE H H 31 8.475 8.475 8.641 -0.166 25240 179 1 1 . 1 1 32 32 ARG N N 32 132.544 132.544 130.051 2.493 25240 180 1 1 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.558 -0.301 25240 181 1 1 . 1 1 32 32 ARG C C 32 176.557 176.557 175.635 0.922 25240 182 1 1 . 1 1 32 32 ARG CA C 32 55.304 55.304 55.558 -0.254 25240 183 1 1 . 1 1 32 32 ARG CB C 32 31.496 31.496 31.590 -0.094 25240 184 1 1 . 1 1 32 32 ARG H H 32 8.994 8.994 9.205 -0.211 25240 185 1 1 . 1 1 33 33 ASP N N 33 128.042 128.042 127.097 0.945 25240 186 1 1 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.338 -0.081 25240 187 1 1 . 1 1 33 33 ASP C C 33 173.615 173.615 175.353 -1.738 25240 188 1 1 . 1 1 33 33 ASP CA C 33 55.876 55.876 55.945 -0.069 25240 189 1 1 . 1 1 33 33 ASP CB C 33 39.966 39.966 39.772 0.194 25240 190 1 1 . 1 1 33 33 ASP H H 33 9.442 9.442 9.269 0.173 25240 191 1 1 . 1 1 34 34 GLU N N 34 108.952 108.952 110.515 -1.563 25240 192 1 1 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.883 0.650 25240 193 1 1 . 1 1 34 34 GLU C C 34 174.844 174.844 175.139 -0.295 25240 194 1 1 . 1 1 34 34 GLU CA C 34 58.394 58.394 58.160 0.234 25240 195 1 1 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.047 -0.442 25240 196 1 1 . 1 1 34 34 GLU H H 34 8.532 8.532 8.762 -0.230 25240 197 1 1 . 1 1 35 35 LYS N N 35 114.285 114.285 110.583 3.702 25240 198 1 1 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.676 -0.143 25240 199 1 1 . 1 1 35 35 LYS C C 35 175.530 175.530 175.059 0.471 25240 200 1 1 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.113 1.251 25240 201 1 1 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.189 1.344 25240 202 1 1 . 1 1 35 35 LYS H H 35 7.911 7.911 8.092 -0.181 25240 203 1 1 . 1 1 36 36 GLN N N 36 118.851 118.851 118.016 0.835 25240 204 1 1 . 1 1 36 36 GLN HA H 36 5.027 5.027 5.167 -0.140 25240 205 1 1 . 1 1 36 36 GLN C C 36 174.139 174.139 174.364 -0.225 25240 206 1 1 . 1 1 36 36 GLN CA C 36 54.503 54.503 54.187 0.316 25240 207 1 1 . 1 1 36 36 GLN CB C 36 33.213 33.213 34.214 -1.001 25240 208 1 1 . 1 1 36 36 GLN H H 36 7.483 7.483 8.353 -0.870 25240 209 1 1 . 1 1 37 37 ILE N N 37 127.682 127.682 120.699 6.983 25240 210 1 1 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.576 -0.281 25240 211 1 1 . 1 1 37 37 ILE C C 37 173.333 173.333 174.860 -1.527 25240 212 1 1 . 1 1 37 37 ILE CA C 37 62.286 62.286 60.740 1.546 25240 213 1 1 . 1 1 37 37 ILE CB C 37 38.021 38.021 39.178 -1.157 25240 214 1 1 . 1 1 37 37 ILE H H 37 9.208 9.208 9.041 0.167 25240 215 1 1 . 1 1 38 38 ASP N N 38 128.702 128.702 128.197 0.505 25240 216 1 1 . 1 1 38 38 ASP HA H 38 5.037 5.037 5.056 -0.019 25240 217 1 1 . 1 1 38 38 ASP C C 38 175.147 175.147 174.426 0.721 25240 218 1 1 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.331 -0.461 25240 219 1 1 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.639 0.279 25240 220 1 1 . 1 1 38 38 ASP H H 38 9.380 9.380 9.310 0.070 25240 221 1 1 . 1 1 39 39 VAL N N 39 122.387 122.387 121.696 0.691 25240 222 1 1 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.398 -0.531 25240 223 1 1 . 1 1 39 39 VAL C C 39 175.268 175.268 175.337 -0.069 25240 224 1 1 . 1 1 39 39 VAL CA C 39 63.888 63.888 62.252 1.636 25240 225 1 1 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.150 0.521 25240 226 1 1 . 1 1 39 39 VAL H H 39 8.769 8.769 8.586 0.183 25240 227 1 1 . 1 1 40 40 GLU N N 40 128.576 128.576 127.328 1.248 25240 228 1 1 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.597 -0.330 25240 229 1 1 . 1 1 40 40 GLU C C 40 175.711 175.711 176.117 -0.406 25240 230 1 1 . 1 1 40 40 GLU CA C 40 57.708 57.708 55.982 1.726 25240 231 1 1 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.363 1.392 25240 232 1 1 . 1 1 40 40 GLU H H 40 9.512 9.512 8.691 0.821 25240 233 1 1 . 1 1 41 41 THR N N 41 111.962 111.962 116.574 -4.612 25240 234 1 1 . 1 1 41 41 THR HA H 41 4.423 4.423 4.546 -0.123 25240 235 1 1 . 1 1 41 41 THR C C 41 171.559 171.559 172.114 -0.555 25240 236 1 1 . 1 1 41 41 THR CA C 41 61.256 61.256 62.203 -0.947 25240 237 1 1 . 1 1 41 41 THR CB C 41 71.901 71.901 71.211 0.690 25240 238 1 1 . 1 1 41 41 THR H H 41 7.277 7.277 7.780 -0.503 25240 239 1 1 . 1 1 42 42 VAL N N 42 123.660 123.660 119.981 3.679 25240 240 1 1 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.822 -0.579 25240 241 1 1 . 1 1 42 42 VAL C C 42 173.877 173.877 174.117 -0.240 25240 242 1 1 . 1 1 42 42 VAL CA C 42 60.684 60.684 59.395 1.289 25240 243 1 1 . 1 1 42 42 VAL CB C 42 34.015 34.015 35.498 -1.483 25240 244 1 1 . 1 1 42 42 VAL H H 42 8.264 8.264 8.412 -0.148 25240 245 1 1 . 1 1 43 43 ALA N N 43 126.970 126.970 126.507 0.463 25240 246 1 1 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.417 0.019 25240 247 1 1 . 1 1 43 43 ALA C C 43 176.759 176.759 173.680 3.079 25240 248 1 1 . 1 1 43 43 ALA CA C 43 50.153 50.153 51.430 -1.277 25240 249 1 1 . 1 1 43 43 ALA CB C 43 20.737 20.737 22.038 -1.301 25240 250 1 1 . 1 1 43 43 ALA H H 43 7.420 7.420 8.248 -0.828 25240 251 1 1 . 1 1 44 44 ASP N N 44 120.831 120.831 118.900 1.931 25240 252 1 1 . 1 1 44 44 ASP HA H 44 4.575 4.575 4.705 -0.130 25240 253 1 1 . 1 1 44 44 ASP C C 44 175.771 175.771 176.445 -0.674 25240 254 1 1 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.381 1.778 25240 255 1 1 . 1 1 44 44 ASP CB C 44 41.798 41.798 42.754 -0.956 25240 256 1 1 . 1 1 44 44 ASP H H 44 8.285 8.285 8.315 -0.030 25240 257 1 1 . 1 1 45 45 ARG N N 45 118.015 118.015 120.500 -2.485 25240 258 1 1 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.242 -0.682 25240 259 1 1 . 1 1 45 45 ARG C C 45 175.764 175.764 176.205 -0.441 25240 260 1 1 . 1 1 45 45 ARG CA C 45 56.792 56.792 58.083 -1.291 25240 261 1 1 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.317 0.691 25240 262 1 1 . 1 1 45 45 ARG H H 45 8.020 8.020 8.556 -0.536 25240 263 1 1 . 1 1 46 46 ASN N N 46 113.620 113.620 118.674 -5.054 25240 264 1 1 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.567 0.087 25240 265 1 1 . 1 1 46 46 ASN C C 46 175.090 175.090 174.483 0.607 25240 266 1 1 . 1 1 46 46 ASN CA C 46 52.900 52.900 53.978 -1.078 25240 267 1 1 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.755 -0.963 25240 268 1 1 . 1 1 46 46 ASN H H 46 8.184 8.184 8.126 0.059 25240 269 1 1 . 1 1 47 47 ALA N N 47 124.076 124.076 122.170 1.906 25240 270 1 1 . 1 1 47 47 ALA HA H 47 4.207 4.207 5.155 -0.948 25240 271 1 1 . 1 1 47 47 ALA C C 47 176.472 176.472 176.108 0.364 25240 272 1 1 . 1 1 47 47 ALA CA C 47 53.015 53.015 50.309 2.706 25240 273 1 1 . 1 1 47 47 ALA CB C 47 20.966 20.966 21.317 -0.351 25240 274 1 1 . 1 1 47 47 ALA H H 47 7.515 7.515 7.506 0.009 25240 275 1 1 . 1 1 48 48 GLU N N 48 117.871 117.871 121.685 -3.814 25240 276 1 1 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.436 0.342 25240 277 1 1 . 1 1 48 48 GLU C C 48 178.259 178.259 176.912 1.347 25240 278 1 1 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.590 0.142 25240 279 1 1 . 1 1 48 48 GLU CB C 48 32.755 32.755 30.855 1.900 25240 280 1 1 . 1 1 48 48 GLU H H 48 8.327 8.327 8.534 -0.207 25240 281 1 1 . 1 1 49 49 TYR N N 49 122.704 122.704 120.054 2.650 25240 282 1 1 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.283 -0.448 25240 283 1 1 . 1 1 49 49 TYR C C 49 176.809 176.809 177.718 -0.909 25240 284 1 1 . 1 1 49 49 TYR CA C 49 62.744 62.744 62.437 0.307 25240 285 1 1 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.723 0.527 25240 286 1 1 . 1 1 49 49 TYR H H 49 9.164 9.164 8.826 0.338 25240 287 1 1 . 1 1 50 50 ASP N N 50 114.152 114.152 120.115 -5.963 25240 288 1 1 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.512 -0.375 25240 289 1 1 . 1 1 50 50 ASP C C 50 178.832 178.832 178.780 0.052 25240 290 1 1 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.435 -1.071 25240 291 1 1 . 1 1 50 50 ASP CB C 50 39.737 39.737 39.932 -0.195 25240 292 1 1 . 1 1 50 50 ASP H H 50 8.516 8.516 8.873 -0.357 25240 293 1 1 . 1 1 51 51 GLN N N 51 120.262 120.262 118.997 1.265 25240 294 1 1 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.162 -0.250 25240 295 1 1 . 1 1 51 51 GLN C C 51 177.180 177.180 178.517 -1.337 25240 296 1 1 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.741 0.111 25240 297 1 1 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.616 0.249 25240 298 1 1 . 1 1 51 51 GLN H H 51 7.290 7.290 8.401 -1.111 25240 299 1 1 . 1 1 52 52 PHE N N 52 121.864 121.864 122.114 -0.250 25240 300 1 1 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.238 -0.991 25240 301 1 1 . 1 1 52 52 PHE C C 52 175.697 175.697 176.996 -1.299 25240 302 1 1 . 1 1 52 52 PHE CA C 52 60.569 60.569 61.283 -0.714 25240 303 1 1 . 1 1 52 52 PHE CB C 52 38.593 38.593 39.232 -0.639 25240 304 1 1 . 1 1 52 52 PHE H H 52 6.926 6.926 8.486 -1.560 25240 305 1 1 . 1 1 53 53 LEU N N 53 116.512 116.512 119.678 -3.166 25240 306 1 1 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.929 -0.736 25240 307 1 1 . 1 1 53 53 LEU C C 53 179.877 179.877 179.151 0.726 25240 308 1 1 . 1 1 53 53 LEU CA C 53 56.449 56.449 58.407 -1.958 25240 309 1 1 . 1 1 53 53 LEU CB C 53 41.340 41.340 40.852 0.488 25240 310 1 1 . 1 1 53 53 LEU H H 53 7.382 7.382 8.728 -1.346 25240 311 1 1 . 1 1 54 54 GLU N N 54 119.308 119.308 118.512 0.796 25240 312 1 1 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.996 -0.338 25240 313 1 1 . 1 1 54 54 GLU C C 54 179.371 179.371 179.071 0.300 25240 314 1 1 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.254 -0.010 25240 315 1 1 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.339 -0.361 25240 316 1 1 . 1 1 54 54 GLU H H 54 7.275 7.275 8.223 -0.948 25240 317 1 1 . 1 1 55 55 ASP N N 55 119.986 119.986 119.568 0.418 25240 318 1 1 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.409 -0.096 25240 319 1 1 . 1 1 55 55 ASP C C 55 179.573 179.573 178.571 1.002 25240 320 1 1 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.263 0.101 25240 321 1 1 . 1 1 55 55 ASP CB C 55 40.195 40.195 41.060 -0.866 25240 322 1 1 . 1 1 55 55 ASP H H 55 8.354 8.354 7.781 0.573 25240 323 1 1 . 1 1 56 56 ILE N N 56 121.615 121.615 119.254 2.361 25240 324 1 1 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.507 -0.034 25240 325 1 1 . 1 1 56 56 ILE C C 56 173.674 173.674 177.611 -3.937 25240 326 1 1 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.134 1.327 25240 327 1 1 . 1 1 56 56 ILE CB C 56 36.762 36.762 36.365 0.397 25240 328 1 1 . 1 1 56 56 ILE H H 56 8.093 8.093 7.557 0.536 25240 329 1 1 . 1 1 57 57 GLN N N 57 113.032 113.032 116.616 -3.584 25240 330 1 1 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.070 0.077 25240 331 1 1 . 1 1 57 57 GLN C C 57 178.899 178.899 177.158 1.741 25240 332 1 1 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.830 -1.839 25240 333 1 1 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.434 3.520 25240 334 1 1 . 1 1 57 57 GLN H H 57 6.377 6.377 7.509 -1.132 25240 335 1 1 . 1 1 58 58 LYS N N 58 122.152 122.152 118.616 3.536 25240 336 1 1 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.120 -0.278 25240 337 1 1 . 1 1 58 58 LYS C C 58 176.674 176.674 178.193 -1.519 25240 338 1 1 . 1 1 58 58 LYS CA C 58 59.424 59.424 58.411 1.013 25240 339 1 1 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.636 -0.567 25240 340 1 1 . 1 1 58 58 LYS H H 58 7.280 7.280 7.502 -0.222 25240 341 1 1 . 1 1 59 59 CYS N N 59 116.543 116.543 117.872 -1.329 25240 342 1 1 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.288 -0.142 25240 343 1 1 . 1 1 59 59 CYS C C 59 175.056 175.056 175.459 -0.403 25240 344 1 1 . 1 1 59 59 CYS CA C 59 58.623 58.623 60.036 -1.413 25240 345 1 1 . 1 1 59 59 CYS CB C 59 26.918 26.918 27.874 -0.956 25240 346 1 1 . 1 1 59 59 CYS H H 59 7.784 7.784 7.847 -0.063 25240 347 1 1 . 1 1 60 60 GLY N N 60 109.550 109.550 107.247 2.303 25240 348 1 1 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.957 -2.639 25240 349 1 1 . 1 1 60 60 GLY H H 60 7.542 7.542 7.551 -0.009 25240 350 1 1 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.488 -0.260 25240 351 1 1 . 1 1 61 61 PRO C C 61 177.079 177.079 177.565 -0.486 25240 352 1 1 . 1 1 61 61 PRO CA C 61 64.117 64.117 64.003 0.114 25240 353 1 1 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.480 -0.984 25240 354 1 1 . 1 1 62 62 GLY N N 62 106.490 106.490 107.286 -0.796 25240 355 1 1 . 1 1 62 62 GLY C C 62 174.011 174.011 173.118 0.893 25240 356 1 1 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.377 0.740 25240 357 1 1 . 1 1 62 62 GLY H H 62 8.479 8.479 8.193 0.286 25240 358 1 1 . 1 1 63 63 GLU N N 63 119.465 119.465 120.207 -0.742 25240 359 1 1 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.712 -0.414 25240 360 1 1 . 1 1 63 63 GLU C C 63 173.775 173.775 174.453 -0.678 25240 361 1 1 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.101 0.860 25240 362 1 1 . 1 1 63 63 GLU CB C 63 33.557 33.557 33.897 -0.340 25240 363 1 1 . 1 1 63 63 GLU H H 63 7.001 7.001 7.791 -0.790 25240 364 1 1 . 1 1 64 64 CYS N N 64 111.402 111.402 118.712 -7.310 25240 365 1 1 . 1 1 64 64 CYS HA H 64 4.509 4.509 4.487 0.022 25240 366 1 1 . 1 1 64 64 CYS C C 64 173.371 173.371 174.010 -0.639 25240 367 1 1 . 1 1 64 64 CYS CA C 64 55.647 55.647 58.257 -2.610 25240 368 1 1 . 1 1 64 64 CYS CB C 64 31.267 31.267 27.256 4.011 25240 369 1 1 . 1 1 64 64 CYS H H 64 6.622 6.622 8.710 -2.088 25240 370 1 1 . 1 1 65 65 ARG N N 65 117.835 117.835 122.139 -4.304 25240 371 1 1 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.954 -0.280 25240 372 1 1 . 1 1 65 65 ARG C C 65 174.820 174.820 175.161 -0.341 25240 373 1 1 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.058 -0.471 25240 374 1 1 . 1 1 65 65 ARG CB C 65 39.737 39.737 34.750 4.987 25240 375 1 1 . 1 1 65 65 ARG H H 65 8.621 8.621 8.424 0.197 25240 376 1 1 . 1 1 66 66 TYR N N 66 114.314 114.314 117.801 -3.487 25240 377 1 1 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.704 0.371 25240 378 1 1 . 1 1 66 66 TYR C C 66 176.068 176.068 176.043 0.025 25240 379 1 1 . 1 1 66 66 TYR CA C 66 54.846 54.846 56.469 -1.623 25240 380 1 1 . 1 1 66 66 TYR CB C 66 41.798 41.798 44.139 -2.341 25240 381 1 1 . 1 1 66 66 TYR H H 66 8.256 8.256 9.339 -1.083 25240 382 1 1 . 1 1 67 67 GLY N N 67 107.717 107.717 107.982 -0.265 25240 383 1 1 . 1 1 67 67 GLY C C 67 170.135 170.135 172.136 -2.001 25240 384 1 1 . 1 1 67 67 GLY CA C 67 45.575 45.575 45.503 0.072 25240 385 1 1 . 1 1 67 67 GLY H H 67 9.831 9.831 8.814 1.017 25240 386 1 1 . 1 1 68 68 LEU N N 68 127.494 127.494 127.920 -0.426 25240 387 1 1 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.746 -0.252 25240 388 1 1 . 1 1 68 68 LEU C C 68 173.674 173.674 174.507 -0.833 25240 389 1 1 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.439 -0.115 25240 390 1 1 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.791 2.386 25240 391 1 1 . 1 1 68 68 LEU H H 68 9.391 9.391 8.811 0.580 25240 392 1 1 . 1 1 69 69 PHE N N 69 126.775 126.775 129.229 -2.454 25240 393 1 1 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.518 -1.015 25240 394 1 1 . 1 1 69 69 PHE C C 69 172.629 172.629 173.914 -1.285 25240 395 1 1 . 1 1 69 69 PHE CA C 69 56.334 56.334 54.841 1.493 25240 396 1 1 . 1 1 69 69 PHE CB C 69 43.744 43.744 43.038 0.707 25240 397 1 1 . 1 1 69 69 PHE H H 69 8.017 8.017 9.437 -1.420 25240 398 1 1 . 1 1 70 70 ASP N N 70 126.639 126.639 130.190 -3.551 25240 399 1 1 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.632 -0.841 25240 400 1 1 . 1 1 70 70 ASP C C 70 172.764 172.764 174.935 -2.171 25240 401 1 1 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.682 0.447 25240 402 1 1 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.948 -2.295 25240 403 1 1 . 1 1 70 70 ASP H H 70 7.087 7.087 8.775 -1.688 25240 404 1 1 . 1 1 71 71 PHE N N 71 129.107 129.107 122.045 7.062 25240 405 1 1 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.245 -0.549 25240 406 1 1 . 1 1 71 71 PHE C C 71 174.315 174.315 173.501 0.814 25240 407 1 1 . 1 1 71 71 PHE CA C 71 58.852 58.852 56.065 2.787 25240 408 1 1 . 1 1 71 71 PHE CB C 71 42.713 42.713 42.019 0.694 25240 409 1 1 . 1 1 71 71 PHE H H 71 8.656 8.656 8.414 0.242 25240 410 1 1 . 1 1 72 72 GLU N N 72 126.483 126.483 121.723 4.760 25240 411 1 1 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.506 0.645 25240 412 1 1 . 1 1 72 72 GLU C C 72 175.090 175.090 175.194 -0.104 25240 413 1 1 . 1 1 72 72 GLU CA C 72 54.732 54.732 56.159 -1.427 25240 414 1 1 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.385 2.455 25240 415 1 1 . 1 1 72 72 GLU H H 72 8.134 8.134 8.838 -0.704 25240 416 1 1 . 1 1 73 73 TYR N N 73 120.527 120.527 126.749 -6.222 25240 417 1 1 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.854 -0.179 25240 418 1 1 . 1 1 73 73 TYR C C 73 172.966 172.966 175.018 -2.052 25240 419 1 1 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.589 -1.598 25240 420 1 1 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.394 -1.885 25240 421 1 1 . 1 1 73 73 TYR H H 73 8.504 8.504 9.041 -0.537 25240 422 1 1 . 1 1 74 74 MET N N 74 118.604 118.604 125.949 -7.345 25240 423 1 1 . 1 1 74 74 MET HA H 74 4.729 4.729 4.993 -0.264 25240 424 1 1 . 1 1 74 74 MET C C 74 176.000 176.000 174.674 1.326 25240 425 1 1 . 1 1 74 74 MET CA C 74 53.930 53.930 54.886 -0.956 25240 426 1 1 . 1 1 74 74 MET CB C 74 32.412 32.412 32.594 -0.182 25240 427 1 1 . 1 1 74 74 MET H H 74 8.752 8.752 8.546 0.206 25240 428 1 1 . 1 1 75 75 HIS N N 75 123.810 123.810 125.861 -2.051 25240 429 1 1 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.986 -0.311 25240 430 1 1 . 1 1 75 75 HIS C C 75 174.112 174.112 174.111 0.001 25240 431 1 1 . 1 1 75 75 HIS CA C 75 55.762 55.762 54.670 1.091 25240 432 1 1 . 1 1 75 75 HIS CB C 75 32.755 32.755 32.053 0.702 25240 433 1 1 . 1 1 75 75 HIS H H 75 8.902 8.902 8.996 -0.094 25240 434 1 1 . 1 1 76 76 GLN N N 76 125.324 125.324 126.565 -1.241 25240 435 1 1 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.553 -0.257 25240 436 1 1 . 1 1 76 76 GLN C C 76 175.056 175.056 174.273 0.783 25240 437 1 1 . 1 1 76 76 GLN CA C 76 55.189 55.189 54.773 0.416 25240 438 1 1 . 1 1 76 76 GLN CB C 76 29.551 29.551 30.913 -1.362 25240 439 1 1 . 1 1 76 76 GLN H H 76 8.292 8.292 8.791 -0.499 25240 440 1 1 . 1 1 77 77 CYS N N 77 123.013 123.013 119.842 3.171 25240 441 1 1 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.647 -0.351 25240 442 1 1 . 1 1 77 77 CYS C C 77 174.719 174.719 174.552 0.167 25240 443 1 1 . 1 1 77 77 CYS CA C 77 58.738 58.738 58.455 0.283 25240 444 1 1 . 1 1 77 77 CYS CB C 77 27.948 27.948 30.551 -2.603 25240 445 1 1 . 1 1 77 77 CYS H H 77 8.420 8.420 8.275 0.145 25240 446 1 1 . 1 1 78 78 GLN N N 78 123.960 123.960 121.187 2.773 25240 447 1 1 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.940 0.160 25240 448 1 1 . 1 1 78 78 GLN C C 78 176.910 176.910 175.733 1.177 25240 449 1 1 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.184 -0.163 25240 450 1 1 . 1 1 78 78 GLN CB C 78 28.635 28.635 27.202 1.433 25240 451 1 1 . 1 1 78 78 GLN H H 78 8.658 8.658 9.174 -0.516 25240 452 1 1 . 1 1 79 79 GLY N N 79 111.173 111.173 103.897 7.276 25240 453 1 1 . 1 1 79 79 GLY C C 79 174.315 174.315 174.185 0.130 25240 454 1 1 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.595 -0.135 25240 455 1 1 . 1 1 79 79 GLY H H 79 8.636 8.636 8.473 0.163 25240 456 1 1 . 1 1 80 80 THR N N 80 111.761 111.761 117.951 -6.190 25240 457 1 1 . 1 1 80 80 THR HA H 80 4.483 4.483 4.432 0.051 25240 458 1 1 . 1 1 80 80 THR C C 80 174.483 174.483 174.051 0.432 25240 459 1 1 . 1 1 80 80 THR CA C 80 60.912 60.912 61.915 -1.003 25240 460 1 1 . 1 1 80 80 THR CB C 80 70.413 70.413 69.372 1.041 25240 461 1 1 . 1 1 80 80 THR H H 80 7.730 7.730 7.903 -0.173 25240 462 1 1 . 1 1 81 81 SER N N 81 116.277 116.277 123.601 -7.324 25240 463 1 1 . 1 1 81 81 SER HA H 81 3.810 3.810 4.630 -0.820 25240 464 1 1 . 1 1 81 81 SER C C 81 174.517 174.517 175.343 -0.826 25240 465 1 1 . 1 1 81 81 SER CA C 81 58.738 58.738 56.703 2.034 25240 466 1 1 . 1 1 81 81 SER CB C 81 63.545 63.545 62.046 1.499 25240 467 1 1 . 1 1 81 81 SER H H 81 8.312 8.312 9.042 -0.730 25240 468 1 1 . 1 1 82 82 GLU N N 82 121.911 121.911 122.128 -0.217 25240 469 1 1 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.186 0.063 25240 470 1 1 . 1 1 82 82 GLU C C 82 176.202 176.202 176.644 -0.442 25240 471 1 1 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.755 -0.306 25240 472 1 1 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.652 1.043 25240 473 1 1 . 1 1 82 82 GLU H H 82 8.058 8.058 8.106 -0.048 25240 474 1 1 . 1 1 83 83 SER N N 83 117.340 117.340 114.193 3.147 25240 475 1 1 . 1 1 83 83 SER HA H 83 4.292 4.292 4.258 0.034 25240 476 1 1 . 1 1 83 83 SER C C 83 174.146 174.146 173.194 0.952 25240 477 1 1 . 1 1 83 83 SER CA C 83 58.165 58.165 58.705 -0.540 25240 478 1 1 . 1 1 83 83 SER CB C 83 64.461 64.461 62.439 2.022 25240 479 1 1 . 1 1 83 83 SER H H 83 8.355 8.355 8.187 0.168 25240 480 1 1 . 1 1 84 84 SER N N 84 117.340 117.340 118.242 -0.902 25240 481 1 1 . 1 1 84 84 SER HA H 84 4.734 4.734 4.317 0.417 25240 482 1 1 . 1 1 84 84 SER C C 84 173.236 173.236 174.592 -1.356 25240 483 1 1 . 1 1 84 84 SER CA C 84 57.708 57.708 58.735 -1.027 25240 484 1 1 . 1 1 84 84 SER CB C 84 64.919 64.919 63.424 1.495 25240 485 1 1 . 1 1 84 84 SER H H 84 8.435 8.435 8.582 -0.147 25240 486 1 1 . 1 1 85 85 LYS N N 85 123.283 123.283 129.942 -6.659 25240 487 1 1 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.364 0.091 25240 488 1 1 . 1 1 85 85 LYS C C 85 176.236 176.236 175.654 0.582 25240 489 1 1 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.706 -0.029 25240 490 1 1 . 1 1 85 85 LYS CB C 85 32.755 32.755 32.730 0.025 25240 491 1 1 . 1 1 85 85 LYS H H 85 8.274 8.274 8.520 -0.246 25240 492 1 1 . 1 1 86 86 LYS N N 86 125.176 125.176 128.631 -3.455 25240 493 1 1 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.584 -0.279 25240 494 1 1 . 1 1 86 86 LYS C C 86 174.753 174.753 175.211 -0.458 25240 495 1 1 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.523 -0.135 25240 496 1 1 . 1 1 86 86 LYS CB C 86 34.358 34.358 34.565 -0.207 25240 497 1 1 . 1 1 86 86 LYS H H 86 8.590 8.590 8.965 -0.375 25240 498 1 1 . 1 1 87 87 GLN N N 87 118.903 118.903 126.913 -8.010 25240 499 1 1 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.627 0.542 25240 500 1 1 . 1 1 87 87 GLN C C 87 175.562 175.562 175.320 0.242 25240 501 1 1 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.466 -0.849 25240 502 1 1 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.473 2.223 25240 503 1 1 . 1 1 87 87 GLN H H 87 7.946 7.946 8.696 -0.750 25240 504 1 1 . 1 1 88 88 LYS N N 88 124.114 124.114 124.548 -0.434 25240 505 1 1 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.381 0.257 25240 506 1 1 . 1 1 88 88 LYS C C 88 174.449 174.449 174.275 0.174 25240 507 1 1 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.608 0.810 25240 508 1 1 . 1 1 88 88 LYS CB C 88 36.876 36.876 35.460 1.416 25240 509 1 1 . 1 1 88 88 LYS H H 88 9.258 9.258 8.797 0.461 25240 510 1 1 . 1 1 89 89 LEU N N 89 123.968 123.968 122.298 1.670 25240 511 1 1 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.605 -0.485 25240 512 1 1 . 1 1 89 89 LEU C C 89 176.843 176.843 176.093 0.750 25240 513 1 1 . 1 1 89 89 LEU CA C 89 54.617 54.617 53.695 0.922 25240 514 1 1 . 1 1 89 89 LEU CB C 89 43.972 43.972 43.680 0.292 25240 515 1 1 . 1 1 89 89 LEU H H 89 8.318 8.318 8.290 0.028 25240 516 1 1 . 1 1 90 90 PHE N N 90 118.366 118.366 121.373 -3.007 25240 517 1 1 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.349 0.098 25240 518 1 1 . 1 1 90 90 PHE C C 90 171.786 171.786 174.385 -2.599 25240 519 1 1 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.795 -1.606 25240 520 1 1 . 1 1 90 90 PHE CB C 90 43.286 43.286 43.611 -0.326 25240 521 1 1 . 1 1 90 90 PHE H H 90 8.465 8.465 9.125 -0.660 25240 522 1 1 . 1 1 91 91 LEU N N 91 121.719 121.719 124.852 -3.133 25240 523 1 1 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.858 -0.353 25240 524 1 1 . 1 1 91 91 LEU C C 91 174.449 174.449 175.291 -0.842 25240 525 1 1 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.103 -0.203 25240 526 1 1 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.768 1.409 25240 527 1 1 . 1 1 91 91 LEU H H 91 8.437 8.437 9.443 -1.006 25240 528 1 1 . 1 1 92 92 MET N N 92 126.389 126.389 124.221 2.168 25240 529 1 1 . 1 1 92 92 MET HA H 92 6.176 6.176 6.000 0.176 25240 530 1 1 . 1 1 92 92 MET C C 92 176.169 176.169 175.178 0.991 25240 531 1 1 . 1 1 92 92 MET CA C 92 53.015 53.015 53.634 -0.619 25240 532 1 1 . 1 1 92 92 MET CB C 92 39.623 39.623 36.033 3.590 25240 533 1 1 . 1 1 92 92 MET H H 92 10.273 10.273 9.083 1.190 25240 534 1 1 . 1 1 93 93 SER N N 93 120.841 120.841 118.959 1.882 25240 535 1 1 . 1 1 93 93 SER HA H 93 4.885 4.885 4.919 -0.034 25240 536 1 1 . 1 1 93 93 SER C C 93 172.225 172.225 173.700 -1.475 25240 537 1 1 . 1 1 93 93 SER CA C 93 56.563 56.563 56.789 -0.226 25240 538 1 1 . 1 1 93 93 SER CB C 93 63.545 63.545 64.737 -1.192 25240 539 1 1 . 1 1 93 93 SER H H 93 9.038 9.038 9.256 -0.218 25240 540 1 1 . 1 1 94 94 TRP N N 94 129.918 129.918 131.916 -1.998 25240 541 1 1 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.503 -0.356 25240 542 1 1 . 1 1 94 94 TRP C C 94 173.270 173.270 174.851 -1.581 25240 543 1 1 . 1 1 94 94 TRP CA C 94 54.961 54.961 54.673 0.288 25240 544 1 1 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.471 1.224 25240 545 1 1 . 1 1 94 94 TRP H H 94 9.001 9.001 8.424 0.577 25240 546 1 1 . 1 1 95 95 CYS N N 95 122.538 122.538 124.116 -1.578 25240 547 1 1 . 1 1 95 95 CYS HA H 95 4.821 4.821 5.344 -0.523 25240 548 1 1 . 1 1 95 95 CYS CA C 95 53.813 53.813 56.188 -2.375 25240 549 1 1 . 1 1 95 95 CYS H H 95 7.319 7.319 8.642 -1.323 25240 550 1 1 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.418 -0.599 25240 551 1 1 . 1 1 96 96 PRO C C 96 177.888 177.888 176.428 1.460 25240 552 1 1 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.523 -1.695 25240 553 1 1 . 1 1 96 96 PRO CB C 96 31.840 31.840 30.780 1.060 25240 554 1 1 . 1 1 97 97 ASP N N 97 118.960 118.960 124.586 -5.626 25240 555 1 1 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.432 -0.374 25240 556 1 1 . 1 1 97 97 ASP C C 97 176.809 176.809 177.129 -0.320 25240 557 1 1 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.173 0.733 25240 558 1 1 . 1 1 97 97 ASP CB C 97 40.882 40.882 41.240 -0.358 25240 559 1 1 . 1 1 97 97 ASP H H 97 8.040 8.040 8.163 -0.123 25240 560 1 1 . 1 1 98 98 THR N N 98 104.267 104.267 109.723 -5.456 25240 561 1 1 . 1 1 98 98 THR HA H 98 3.856 3.856 4.260 -0.404 25240 562 1 1 . 1 1 98 98 THR C C 98 174.921 174.921 174.679 0.242 25240 563 1 1 . 1 1 98 98 THR CA C 98 61.599 61.599 62.437 -0.838 25240 564 1 1 . 1 1 98 98 THR CB C 98 68.925 68.925 68.848 0.077 25240 565 1 1 . 1 1 98 98 THR H H 98 6.917 6.917 7.956 -1.039 25240 566 1 1 . 1 1 99 99 ALA N N 99 125.807 125.807 125.013 0.794 25240 567 1 1 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.494 -0.478 25240 568 1 1 . 1 1 99 99 ALA C C 99 177.045 177.045 176.281 0.764 25240 569 1 1 . 1 1 99 99 ALA CA C 99 52.099 52.099 50.986 1.113 25240 570 1 1 . 1 1 99 99 ALA CB C 99 19.020 19.020 20.172 -1.151 25240 571 1 1 . 1 1 99 99 ALA H H 99 7.496 7.496 7.377 0.119 25240 572 1 1 . 1 1 100 100 LYS N N 100 119.465 119.465 119.145 0.320 25240 573 1 1 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.167 -0.082 25240 574 1 1 . 1 1 100 100 LYS C C 100 178.832 178.832 177.542 1.290 25240 575 1 1 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.909 -0.575 25240 576 1 1 . 1 1 100 100 LYS CB C 100 32.527 32.527 33.223 -0.696 25240 577 1 1 . 1 1 100 100 LYS H H 100 8.271 8.271 8.367 -0.096 25240 578 1 1 . 1 1 101 101 VAL N N 101 123.351 123.351 127.240 -3.889 25240 579 1 1 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.879 -0.482 25240 580 1 1 . 1 1 101 101 VAL C C 101 177.584 177.584 176.855 0.729 25240 581 1 1 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.141 1.838 25240 582 1 1 . 1 1 101 101 VAL CB C 101 31.496 31.496 32.068 -0.572 25240 583 1 1 . 1 1 101 101 VAL H H 101 8.518 8.518 8.883 -0.365 25240 584 1 1 . 1 1 102 102 LYS N N 102 118.249 118.249 118.438 -0.189 25240 585 1 1 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.099 -0.168 25240 586 1 1 . 1 1 102 102 LYS C C 102 179.540 179.540 178.387 1.153 25240 587 1 1 . 1 1 102 102 LYS CA C 102 59.882 59.882 58.983 0.899 25240 588 1 1 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.759 0.539 25240 589 1 1 . 1 1 102 102 LYS H H 102 8.558 8.558 8.489 0.069 25240 590 1 1 . 1 1 103 103 LYS N N 103 118.668 118.668 118.242 0.426 25240 591 1 1 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.287 -0.169 25240 592 1 1 . 1 1 103 103 LYS C C 103 177.921 177.921 178.184 -0.263 25240 593 1 1 . 1 1 103 103 LYS CA C 103 58.394 58.394 58.754 -0.360 25240 594 1 1 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.783 -0.943 25240 595 1 1 . 1 1 103 103 LYS H H 103 6.854 6.854 7.865 -1.011 25240 596 1 1 . 1 1 104 104 LYS N N 104 119.199 119.199 119.404 -0.205 25240 597 1 1 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.590 -0.696 25240 598 1 1 . 1 1 104 104 LYS C C 104 180.011 180.011 178.808 1.203 25240 599 1 1 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.202 2.482 25240 600 1 1 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.595 0.130 25240 601 1 1 . 1 1 104 104 LYS H H 104 8.048 8.048 7.607 0.441 25240 602 1 1 . 1 1 105 105 MET N N 105 118.021 118.021 119.316 -1.295 25240 603 1 1 . 1 1 105 105 MET HA H 105 4.121 4.121 4.196 -0.075 25240 604 1 1 . 1 1 105 105 MET C C 105 178.899 178.899 177.416 1.483 25240 605 1 1 . 1 1 105 105 MET CA C 105 58.509 58.509 57.234 1.275 25240 606 1 1 . 1 1 105 105 MET CB C 105 32.069 32.069 32.184 -0.114 25240 607 1 1 . 1 1 105 105 MET H H 105 8.546 8.546 7.816 0.730 25240 608 1 1 . 1 1 106 106 LEU N N 106 122.895 122.895 117.800 5.095 25240 609 1 1 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.070 -0.034 25240 610 1 1 . 1 1 106 106 LEU C C 106 179.910 179.910 179.746 0.164 25240 611 1 1 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.606 0.559 25240 612 1 1 . 1 1 106 106 LEU CB C 106 41.912 41.912 41.517 0.395 25240 613 1 1 . 1 1 106 106 LEU H H 106 7.674 7.674 7.502 0.172 25240 614 1 1 . 1 1 107 107 TYR N N 107 119.036 119.036 117.665 1.371 25240 615 1 1 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.794 -0.760 25240 616 1 1 . 1 1 107 107 TYR C C 107 181.360 181.360 177.739 3.621 25240 617 1 1 . 1 1 107 107 TYR CA C 107 60.912 60.912 58.565 2.347 25240 618 1 1 . 1 1 107 107 TYR CB C 107 37.677 37.677 37.356 0.321 25240 619 1 1 . 1 1 107 107 TYR H H 107 8.669 8.669 7.975 0.694 25240 620 1 1 . 1 1 108 108 SER N N 108 118.372 118.372 115.463 2.909 25240 621 1 1 . 1 1 108 108 SER HA H 108 4.324 4.324 3.534 0.790 25240 622 1 1 . 1 1 108 108 SER C C 108 178.023 178.023 175.996 2.027 25240 623 1 1 . 1 1 108 108 SER CA C 108 62.286 62.286 61.339 0.947 25240 624 1 1 . 1 1 108 108 SER CB C 108 63.545 63.545 62.597 0.948 25240 625 1 1 . 1 1 108 108 SER H H 108 8.973 8.973 7.538 1.435 25240 626 1 1 . 1 1 109 109 SER N N 109 116.727 116.727 115.375 1.352 25240 627 1 1 . 1 1 109 109 SER HA H 109 4.292 4.292 4.435 -0.143 25240 628 1 1 . 1 1 109 109 SER C C 109 176.405 176.405 176.313 0.092 25240 629 1 1 . 1 1 109 109 SER CA C 109 61.370 61.370 60.968 0.402 25240 630 1 1 . 1 1 109 109 SER CB C 109 63.202 63.202 63.604 -0.402 25240 631 1 1 . 1 1 109 109 SER H H 109 8.353 8.353 7.619 0.734 25240 632 1 1 . 1 1 110 110 SER N N 110 115.229 115.229 118.163 -2.934 25240 633 1 1 . 1 1 110 110 SER HA H 110 4.549 4.549 4.248 0.301 25240 634 1 1 . 1 1 110 110 SER C C 110 172.899 172.899 176.083 -3.184 25240 635 1 1 . 1 1 110 110 SER CA C 110 59.424 59.424 61.148 -1.724 25240 636 1 1 . 1 1 110 110 SER CB C 110 62.973 62.973 62.973 -0.000 25240 637 1 1 . 1 1 110 110 SER H H 110 7.236 7.236 7.575 -0.339 25240 638 1 1 . 1 1 111 111 PHE N N 111 120.978 120.978 122.947 -1.969 25240 639 1 1 . 1 1 111 111 PHE HA H 111 4.015 4.015 4.233 -0.218 25240 640 1 1 . 1 1 111 111 PHE C C 111 177.483 177.483 176.674 0.809 25240 641 1 1 . 1 1 111 111 PHE CA C 111 57.708 57.708 62.265 -4.557 25240 642 1 1 . 1 1 111 111 PHE CB C 111 38.364 38.364 39.449 -1.085 25240 643 1 1 . 1 1 111 111 PHE H H 111 7.069 7.069 8.648 -1.579 25240 644 1 1 . 1 1 112 112 ASP N N 112 116.485 116.485 118.209 -1.724 25240 645 1 1 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.368 -0.615 25240 646 1 1 . 1 1 112 112 ASP C C 112 177.281 177.281 177.252 0.029 25240 647 1 1 . 1 1 112 112 ASP CA C 112 57.479 57.479 55.831 1.648 25240 648 1 1 . 1 1 112 112 ASP CB C 112 40.424 40.424 40.944 -0.520 25240 649 1 1 . 1 1 112 112 ASP H H 112 8.305 8.305 8.014 0.291 25240 650 1 1 . 1 1 113 113 ALA N N 113 121.059 121.059 122.213 -1.154 25240 651 1 1 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.990 -0.237 25240 652 1 1 . 1 1 113 113 ALA C C 113 180.416 180.416 179.490 0.926 25240 653 1 1 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.933 -0.087 25240 654 1 1 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.727 -1.652 25240 655 1 1 . 1 1 113 113 ALA H H 113 7.393 7.393 7.160 0.233 25240 656 1 1 . 1 1 114 114 LEU N N 114 118.535 118.535 115.364 3.171 25240 657 1 1 . 1 1 114 114 LEU HA H 114 3.632 3.632 4.017 -0.385 25240 658 1 1 . 1 1 114 114 LEU C C 114 178.191 178.191 177.780 0.411 25240 659 1 1 . 1 1 114 114 LEU CA C 114 56.906 56.906 56.568 0.338 25240 660 1 1 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.966 0.374 25240 661 1 1 . 1 1 114 114 LEU H H 114 6.647 6.647 7.810 -1.163 25240 662 1 1 . 1 1 115 115 LYS N N 115 117.340 117.340 119.380 -2.040 25240 663 1 1 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.682 -0.453 25240 664 1 1 . 1 1 115 115 LYS C C 115 179.877 179.877 177.918 1.959 25240 665 1 1 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.505 -0.081 25240 666 1 1 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.621 0.333 25240 667 1 1 . 1 1 115 115 LYS H H 115 7.730 7.730 7.892 -0.162 25240 668 1 1 . 1 1 116 116 LYS N N 116 116.144 116.144 117.548 -1.404 25240 669 1 1 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.039 -0.339 25240 670 1 1 . 1 1 116 116 LYS C C 116 177.652 177.652 178.225 -0.573 25240 671 1 1 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.603 -0.209 25240 672 1 1 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.247 0.280 25240 673 1 1 . 1 1 116 116 LYS H H 116 7.714 7.714 7.397 0.317 25240 674 1 1 . 1 1 117 117 SER N N 117 111.789 111.789 115.188 -3.399 25240 675 1 1 . 1 1 117 117 SER HA H 117 4.179 4.179 4.209 -0.030 25240 676 1 1 . 1 1 117 117 SER C C 117 174.483 174.483 175.285 -0.802 25240 677 1 1 . 1 1 117 117 SER CA C 117 60.912 60.912 60.907 0.004 25240 678 1 1 . 1 1 117 117 SER CB C 117 64.232 64.232 64.293 -0.061 25240 679 1 1 . 1 1 117 117 SER H H 117 6.957 6.957 7.548 -0.591 25240 680 1 1 . 1 1 118 118 LEU N N 118 122.293 122.293 115.457 6.836 25240 681 1 1 . 1 1 118 118 LEU HA H 118 3.922 3.922 4.012 -0.090 25240 682 1 1 . 1 1 118 118 LEU C C 118 175.730 175.730 175.864 -0.134 25240 683 1 1 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.411 -1.197 25240 684 1 1 . 1 1 118 118 LEU CB C 118 37.448 37.448 40.863 -3.415 25240 685 1 1 . 1 1 118 118 LEU H H 118 6.997 6.997 7.825 -0.828 25240 686 1 1 . 1 1 119 119 VAL N N 119 121.059 121.059 121.439 -0.380 25240 687 1 1 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.803 -0.176 25240 688 1 1 . 1 1 119 119 VAL C C 119 178.697 178.697 177.459 1.238 25240 689 1 1 . 1 1 119 119 VAL CA C 119 64.919 64.919 64.405 0.514 25240 690 1 1 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.130 -0.748 25240 691 1 1 . 1 1 119 119 VAL H H 119 7.347 7.347 7.069 0.278 25240 692 1 1 . 1 1 120 120 GLY N N 120 117.377 117.377 116.267 1.110 25240 693 1 1 . 1 1 120 120 GLY C C 120 174.517 174.517 173.801 0.716 25240 694 1 1 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.553 0.335 25240 695 1 1 . 1 1 120 120 GLY H H 120 9.077 9.077 8.792 0.285 25240 696 1 1 . 1 1 121 121 VAL N N 121 122.254 122.254 121.039 1.215 25240 697 1 1 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.884 -0.122 25240 698 1 1 . 1 1 121 121 VAL C C 121 175.966 175.966 176.144 -0.178 25240 699 1 1 . 1 1 121 121 VAL CA C 121 64.117 64.117 63.810 0.307 25240 700 1 1 . 1 1 121 121 VAL CB C 121 31.611 31.611 32.730 -1.119 25240 701 1 1 . 1 1 121 121 VAL H H 121 7.316 7.316 7.485 -0.169 25240 702 1 1 . 1 1 122 122 GLN N N 122 123.484 123.484 126.909 -3.425 25240 703 1 1 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.207 0.046 25240 704 1 1 . 1 1 122 122 GLN C C 122 174.854 174.854 176.207 -1.353 25240 705 1 1 . 1 1 122 122 GLN CA C 122 56.105 56.105 57.976 -1.871 25240 706 1 1 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.323 1.716 25240 707 1 1 . 1 1 122 122 GLN H H 122 8.678 8.678 8.319 0.359 25240 708 1 1 . 1 1 123 123 LYS N N 123 117.871 117.871 119.321 -1.450 25240 709 1 1 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.370 -0.060 25240 710 1 1 . 1 1 123 123 LYS C C 123 173.000 173.000 174.446 -1.446 25240 711 1 1 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.455 -2.097 25240 712 1 1 . 1 1 123 123 LYS CB C 123 34.816 34.816 34.685 0.131 25240 713 1 1 . 1 1 123 123 LYS H H 123 6.726 6.726 7.427 -0.701 25240 714 1 1 . 1 1 124 124 TYR N N 124 123.352 123.352 121.460 1.892 25240 715 1 1 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.916 -0.017 25240 716 1 1 . 1 1 124 124 TYR C C 124 175.663 175.663 174.953 0.710 25240 717 1 1 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.456 -0.610 25240 718 1 1 . 1 1 124 124 TYR CB C 124 40.424 40.424 39.567 0.857 25240 719 1 1 . 1 1 124 124 TYR H H 124 8.441 8.441 7.967 0.474 25240 720 1 1 . 1 1 125 125 ILE N N 125 122.835 122.835 124.168 -1.333 25240 721 1 1 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.747 -0.345 25240 722 1 1 . 1 1 125 125 ILE C C 125 174.348 174.348 174.034 0.314 25240 723 1 1 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.307 0.575 25240 724 1 1 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.570 -0.314 25240 725 1 1 . 1 1 125 125 ILE H H 125 9.123 9.123 9.305 -0.182 25240 726 1 1 . 1 1 126 126 GLN N N 126 126.869 126.869 127.266 -0.397 25240 727 1 1 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.957 -0.080 25240 728 1 1 . 1 1 126 126 GLN C C 126 174.146 174.146 174.130 0.016 25240 729 1 1 . 1 1 126 126 GLN CA C 126 55.075 55.075 54.955 0.120 25240 730 1 1 . 1 1 126 126 GLN CB C 126 29.551 29.551 31.452 -1.901 25240 731 1 1 . 1 1 126 126 GLN H H 126 8.916 8.916 8.663 0.253 25240 732 1 1 . 1 1 127 127 ALA N N 127 127.414 127.414 129.301 -1.887 25240 733 1 1 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.803 0.160 25240 734 1 1 . 1 1 127 127 ALA C C 127 176.539 176.539 176.589 -0.050 25240 735 1 1 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.616 0.338 25240 736 1 1 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.477 1.405 25240 737 1 1 . 1 1 127 127 ALA H H 127 8.829 8.829 9.117 -0.288 25240 738 1 1 . 1 1 128 128 THR N N 128 112.753 112.753 116.925 -4.172 25240 739 1 1 . 1 1 128 128 THR HA H 128 3.994 3.994 4.432 -0.438 25240 740 1 1 . 1 1 128 128 THR C C 128 172.933 172.933 174.720 -1.787 25240 741 1 1 . 1 1 128 128 THR CA C 128 60.912 60.912 63.483 -2.571 25240 742 1 1 . 1 1 128 128 THR CB C 128 70.527 70.527 69.157 1.370 25240 743 1 1 . 1 1 128 128 THR H H 128 9.350 9.350 8.430 0.920 25240 744 1 1 . 1 1 129 129 ASP N N 129 118.551 118.551 118.461 0.090 25240 745 1 1 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.729 -0.151 25240 746 1 1 . 1 1 129 129 ASP C C 129 176.573 176.573 177.796 -1.223 25240 747 1 1 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.232 0.783 25240 748 1 1 . 1 1 129 129 ASP CB C 129 43.744 43.744 42.591 1.153 25240 749 1 1 . 1 1 129 129 ASP H H 129 7.602 7.602 7.829 -0.227 25240 750 1 1 . 1 1 130 130 LEU N N 130 122.387 122.387 119.599 2.788 25240 751 1 1 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.088 -0.111 25240 752 1 1 . 1 1 130 130 LEU C C 130 179.202 179.202 177.940 1.262 25240 753 1 1 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.059 0.992 25240 754 1 1 . 1 1 130 130 LEU CB C 130 41.569 41.569 41.934 -0.365 25240 755 1 1 . 1 1 130 130 LEU H H 130 8.910 8.910 8.499 0.411 25240 756 1 1 . 1 1 131 131 SER N N 131 116.410 116.410 112.621 3.789 25240 757 1 1 . 1 1 131 131 SER HA H 131 3.856 3.856 4.244 -0.388 25240 758 1 1 . 1 1 131 131 SER C C 131 177.180 177.180 175.526 1.654 25240 759 1 1 . 1 1 131 131 SER CA C 131 62.515 62.515 60.476 2.039 25240 760 1 1 . 1 1 131 131 SER CB C 131 68.352 68.352 63.218 5.134 25240 761 1 1 . 1 1 131 131 SER H H 131 8.645 8.645 7.829 0.816 25240 762 1 1 . 1 1 132 132 GLU N N 132 120.840 120.840 118.828 2.012 25240 763 1 1 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.290 -0.220 25240 764 1 1 . 1 1 132 132 GLU C C 132 175.427 175.427 176.187 -0.760 25240 765 1 1 . 1 1 132 132 GLU CA C 132 57.021 57.021 55.874 1.147 25240 766 1 1 . 1 1 132 132 GLU CB C 132 31.039 31.039 30.513 0.526 25240 767 1 1 . 1 1 132 132 GLU H H 132 7.749 7.749 7.857 -0.108 25240 768 1 1 . 1 1 133 133 ALA N N 133 117.182 117.182 124.239 -7.057 25240 769 1 1 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.278 0.073 25240 770 1 1 . 1 1 133 133 ALA C C 133 175.730 175.730 175.619 0.111 25240 771 1 1 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.090 -0.708 25240 772 1 1 . 1 1 133 133 ALA CB C 133 20.279 20.279 17.674 2.604 25240 773 1 1 . 1 1 133 133 ALA H H 133 7.347 7.347 7.599 -0.252 25240 774 1 1 . 1 1 134 134 SER N N 134 115.197 115.197 116.838 -1.641 25240 775 1 1 . 1 1 134 134 SER HA H 134 4.185 4.185 4.700 -0.515 25240 776 1 1 . 1 1 134 134 SER C C 134 173.067 173.067 174.975 -1.908 25240 777 1 1 . 1 1 134 134 SER CA C 134 58.509 58.509 56.437 2.072 25240 778 1 1 . 1 1 134 134 SER CB C 134 64.690 64.690 66.352 -1.662 25240 779 1 1 . 1 1 134 134 SER H H 134 7.061 7.061 7.913 -0.852 25240 780 1 1 . 1 1 135 135 ARG N N 135 122.190 122.190 123.220 -1.030 25240 781 1 1 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.869 0.316 25240 782 1 1 . 1 1 135 135 ARG C C 135 177.888 177.888 177.639 0.249 25240 783 1 1 . 1 1 135 135 ARG CA C 135 60.111 60.111 60.566 -0.455 25240 784 1 1 . 1 1 135 135 ARG CB C 135 29.551 29.551 30.090 -0.539 25240 785 1 1 . 1 1 135 135 ARG H H 135 8.961 8.961 8.840 0.121 25240 786 1 1 . 1 1 136 136 GLU N N 136 115.480 115.480 118.516 -3.036 25240 787 1 1 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.131 -0.336 25240 788 1 1 . 1 1 136 136 GLU C C 136 178.865 178.865 177.987 0.878 25240 789 1 1 . 1 1 136 136 GLU CA C 136 59.997 59.997 59.513 0.485 25240 790 1 1 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.056 -0.307 25240 791 1 1 . 1 1 136 136 GLU H H 136 8.588 8.588 8.409 0.179 25240 792 1 1 . 1 1 137 137 ALA N N 137 123.947 123.947 121.053 2.894 25240 793 1 1 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.296 -0.374 25240 794 1 1 . 1 1 137 137 ALA C C 137 181.191 181.191 179.415 1.776 25240 795 1 1 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.446 0.400 25240 796 1 1 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.101 0.233 25240 797 1 1 . 1 1 137 137 ALA H H 137 7.578 7.578 8.004 -0.426 25240 798 1 1 . 1 1 138 138 VAL N N 138 119.326 119.326 118.660 0.666 25240 799 1 1 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.497 0.408 25240 800 1 1 . 1 1 138 138 VAL C C 138 177.584 177.584 177.517 0.067 25240 801 1 1 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.759 -0.124 25240 802 1 1 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.554 -0.515 25240 803 1 1 . 1 1 138 138 VAL H H 138 8.108 8.108 7.767 0.341 25240 804 1 1 . 1 1 139 139 GLU N N 139 119.418 119.418 119.298 0.120 25240 805 1 1 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.720 0.351 25240 806 1 1 . 1 1 139 139 GLU C C 139 178.157 178.157 178.694 -0.537 25240 807 1 1 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.200 1.369 25240 808 1 1 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.816 0.278 25240 809 1 1 . 1 1 139 139 GLU H H 139 8.248 8.248 7.675 0.573 25240 810 1 1 . 1 1 140 140 GLU N N 140 116.410 116.410 120.268 -3.858 25240 811 1 1 . 1 1 140 140 GLU HA H 140 3.731 3.731 3.905 -0.174 25240 812 1 1 . 1 1 140 140 GLU C C 140 179.202 179.202 178.706 0.496 25240 813 1 1 . 1 1 140 140 GLU CA C 140 59.424 59.424 59.079 0.345 25240 814 1 1 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.572 -0.478 25240 815 1 1 . 1 1 140 140 GLU H H 140 7.305 7.305 8.074 -0.769 25240 816 1 1 . 1 1 141 141 LYS N N 141 118.210 118.210 117.998 0.212 25240 817 1 1 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.041 -0.111 25240 818 1 1 . 1 1 141 141 LYS C C 141 179.607 179.607 178.603 1.004 25240 819 1 1 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.314 0.080 25240 820 1 1 . 1 1 141 141 LYS CB C 141 32.183 32.183 31.738 0.445 25240 821 1 1 . 1 1 141 141 LYS H H 141 7.292 7.292 7.445 -0.153 25240 822 1 1 . 1 1 142 142 LEU N N 142 119.472 119.472 116.989 2.483 25240 823 1 1 . 1 1 142 142 LEU HA H 142 3.680 3.680 3.649 0.031 25240 824 1 1 . 1 1 142 142 LEU C C 142 178.663 178.663 177.680 0.983 25240 825 1 1 . 1 1 142 142 LEU CA C 142 57.364 57.364 56.919 0.445 25240 826 1 1 . 1 1 142 142 LEU CB C 142 40.424 40.424 40.901 -0.477 25240 827 1 1 . 1 1 142 142 LEU H H 142 8.112 8.112 6.995 1.117 25240 828 1 1 . 1 1 143 143 ARG N N 143 117.384 117.384 118.055 -0.671 25240 829 1 1 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.114 -0.154 25240 830 1 1 . 1 1 143 143 ARG C C 143 177.989 177.989 178.385 -0.396 25240 831 1 1 . 1 1 143 143 ARG CA C 143 58.051 58.051 57.786 0.265 25240 832 1 1 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.430 1.265 25240 833 1 1 . 1 1 143 143 ARG H H 143 7.832 7.832 7.641 0.191 25240 834 1 1 . 1 1 144 144 ALA N N 144 121.192 121.192 122.760 -1.568 25240 835 1 1 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.128 -0.047 25240 836 1 1 . 1 1 144 144 ALA C C 144 178.697 178.697 178.265 0.432 25240 837 1 1 . 1 1 144 144 ALA CA C 144 53.930 53.930 54.481 -0.551 25240 838 1 1 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.167 0.624 25240 839 1 1 . 1 1 144 144 ALA H H 144 7.284 7.284 7.555 -0.271 25240 840 1 1 . 1 1 145 145 THR N N 145 109.503 109.503 112.698 -3.195 25240 841 1 1 . 1 1 145 145 THR HA H 145 4.270 4.270 4.480 -0.210 25240 842 1 1 . 1 1 145 145 THR C C 145 174.787 174.787 174.124 0.663 25240 843 1 1 . 1 1 145 145 THR CA C 145 61.828 61.828 61.972 -0.144 25240 844 1 1 . 1 1 145 145 THR CB C 145 68.925 68.925 69.027 -0.102 25240 845 1 1 . 1 1 145 145 THR H H 145 7.690 7.690 8.005 -0.315 25240 846 1 1 . 1 1 146 146 ASP N N 146 122.786 122.786 120.912 1.874 25240 847 1 1 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.879 -0.335 25240 848 1 1 . 1 1 146 146 ASP C C 146 176.000 176.000 175.378 0.622 25240 849 1 1 . 1 1 146 146 ASP CA C 146 54.732 54.732 53.181 1.551 25240 850 1 1 . 1 1 146 146 ASP CB C 146 41.111 41.111 42.976 -1.865 25240 851 1 1 . 1 1 146 146 ASP H H 146 7.873 7.873 7.652 0.221 25240 852 1 1 . 1 1 147 147 ARG N N 147 120.926 120.926 120.902 0.024 25240 853 1 1 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.636 -0.366 25240 854 1 1 . 1 1 147 147 ARG C C 147 175.427 175.427 176.226 -0.799 25240 855 1 1 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.518 0.587 25240 856 1 1 . 1 1 147 147 ARG CB C 147 30.695 30.695 31.270 -0.575 25240 857 1 1 . 1 1 147 147 ARG H H 147 8.048 8.048 8.672 -0.624 25240 858 1 2 . 1 1 2 2 ALA N N 2 126.020 126.020 122.922 3.098 25240 859 1 2 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.044 0.163 25240 860 1 2 . 1 1 2 2 ALA C C 2 177.605 177.605 176.797 0.808 25240 861 1 2 . 1 1 2 2 ALA CA C 2 52.442 52.442 53.020 -0.578 25240 862 1 2 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.398 0.737 25240 863 1 2 . 1 1 2 2 ALA H H 2 8.306 8.306 8.054 0.252 25240 864 1 2 . 1 1 3 3 SER N N 3 115.214 115.214 115.030 0.184 25240 865 1 2 . 1 1 3 3 SER HA H 3 4.282 4.282 4.454 -0.172 25240 866 1 2 . 1 1 3 3 SER C C 3 174.965 174.965 174.542 0.423 25240 867 1 2 . 1 1 3 3 SER CA C 3 58.165 58.165 59.273 -1.108 25240 868 1 2 . 1 1 3 3 SER CB C 3 64.003 64.003 64.656 -0.653 25240 869 1 2 . 1 1 3 3 SER H H 3 8.183 8.183 8.496 -0.313 25240 870 1 2 . 1 1 4 4 GLY N N 4 110.858 110.858 111.899 -1.041 25240 871 1 2 . 1 1 4 4 GLY C C 4 173.716 173.716 173.382 0.334 25240 872 1 2 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.698 0.305 25240 873 1 2 . 1 1 4 4 GLY H H 4 8.279 8.279 7.802 0.477 25240 874 1 2 . 1 1 5 5 VAL N N 5 119.961 119.961 126.285 -6.324 25240 875 1 2 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.651 -0.523 25240 876 1 2 . 1 1 5 5 VAL C C 5 176.275 176.275 175.757 0.518 25240 877 1 2 . 1 1 5 5 VAL CA C 5 62.172 62.172 61.339 0.833 25240 878 1 2 . 1 1 5 5 VAL CB C 5 32.641 32.641 33.707 -1.066 25240 879 1 2 . 1 1 5 5 VAL H H 5 7.672 7.672 8.108 -0.436 25240 880 1 2 . 1 1 6 6 THR N N 6 115.480 115.480 121.649 -6.169 25240 881 1 2 . 1 1 6 6 THR HA H 6 4.487 4.487 4.587 -0.100 25240 882 1 2 . 1 1 6 6 THR C C 6 173.252 173.252 173.294 -0.042 25240 883 1 2 . 1 1 6 6 THR CA C 6 59.882 59.882 61.649 -1.767 25240 884 1 2 . 1 1 6 6 THR CB C 6 71.328 71.328 69.930 1.398 25240 885 1 2 . 1 1 6 6 THR H H 6 7.756 7.756 8.028 -0.272 25240 886 1 2 . 1 1 7 7 VAL N N 7 120.262 120.262 125.130 -4.868 25240 887 1 2 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.112 -0.033 25240 888 1 2 . 1 1 7 7 VAL C C 7 176.215 176.215 175.620 0.595 25240 889 1 2 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.965 0.092 25240 890 1 2 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.834 0.723 25240 891 1 2 . 1 1 7 7 VAL H H 7 8.447 8.447 8.512 -0.065 25240 892 1 2 . 1 1 8 8 SER N N 8 124.247 124.247 121.778 2.469 25240 893 1 2 . 1 1 8 8 SER HA H 8 4.271 4.271 4.584 -0.313 25240 894 1 2 . 1 1 8 8 SER C C 8 175.892 175.892 175.040 0.852 25240 895 1 2 . 1 1 8 8 SER CA C 8 58.738 58.738 58.121 0.617 25240 896 1 2 . 1 1 8 8 SER CB C 8 64.003 64.003 64.612 -0.609 25240 897 1 2 . 1 1 8 8 SER H H 8 8.816 8.816 8.114 0.702 25240 898 1 2 . 1 1 9 9 ASP N N 9 125.176 125.176 125.311 -0.135 25240 899 1 2 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.456 -0.147 25240 900 1 2 . 1 1 9 9 ASP C C 9 178.492 178.492 177.247 1.245 25240 901 1 2 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.947 0.990 25240 902 1 2 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.658 -0.463 25240 903 1 2 . 1 1 9 9 ASP H H 9 9.033 9.033 8.981 0.052 25240 904 1 2 . 1 1 10 10 VAL N N 10 117.738 117.738 118.107 -0.369 25240 905 1 2 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.793 0.301 25240 906 1 2 . 1 1 10 10 VAL C C 10 179.439 179.439 177.649 1.790 25240 907 1 2 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.433 -0.858 25240 908 1 2 . 1 1 10 10 VAL CB C 10 31.496 31.496 30.991 0.505 25240 909 1 2 . 1 1 10 10 VAL H H 10 8.078 8.078 8.098 -0.020 25240 910 1 2 . 1 1 11 11 CYS N N 11 121.775 121.775 118.242 3.533 25240 911 1 2 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.289 -0.375 25240 912 1 2 . 1 1 11 11 CYS C C 11 176.094 176.094 176.206 -0.112 25240 913 1 2 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.167 1.607 25240 914 1 2 . 1 1 11 11 CYS CB C 11 27.032 27.032 26.987 0.045 25240 915 1 2 . 1 1 11 11 CYS H H 11 7.922 7.922 7.885 0.037 25240 916 1 2 . 1 1 12 12 LYS N N 12 117.392 117.392 120.313 -2.921 25240 917 1 2 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.237 -0.323 25240 918 1 2 . 1 1 12 12 LYS C C 12 179.097 179.097 178.370 0.727 25240 919 1 2 . 1 1 12 12 LYS CA C 12 59.768 59.768 59.776 -0.008 25240 920 1 2 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.316 -0.362 25240 921 1 2 . 1 1 12 12 LYS H H 12 7.010 7.010 7.704 -0.694 25240 922 1 2 . 1 1 13 13 THR N N 13 114.683 114.683 115.423 -0.740 25240 923 1 2 . 1 1 13 13 THR HA H 13 3.951 3.951 4.075 -0.124 25240 924 1 2 . 1 1 13 13 THR C C 13 177.424 177.424 176.554 0.870 25240 925 1 2 . 1 1 13 13 THR CA C 13 66.063 66.063 66.933 -0.870 25240 926 1 2 . 1 1 13 13 THR CB C 13 67.666 67.666 68.341 -0.675 25240 927 1 2 . 1 1 13 13 THR H H 13 8.309 8.309 8.353 -0.044 25240 928 1 2 . 1 1 14 14 THR N N 14 118.012 118.012 118.365 -0.353 25240 929 1 2 . 1 1 14 14 THR HA H 14 4.015 4.015 3.933 0.082 25240 930 1 2 . 1 1 14 14 THR C C 14 176.316 176.316 175.769 0.547 25240 931 1 2 . 1 1 14 14 THR CA C 14 67.208 67.208 66.802 0.406 25240 932 1 2 . 1 1 14 14 THR CB C 14 62.515 62.515 68.489 -5.974 25240 933 1 2 . 1 1 14 14 THR H H 14 8.138 8.138 7.507 0.631 25240 934 1 2 . 1 1 15 15 TYR N N 15 120.840 120.840 123.082 -2.242 25240 935 1 2 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.092 0.045 25240 936 1 2 . 1 1 15 15 TYR C C 15 177.081 177.081 177.315 -0.234 25240 937 1 2 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.403 -0.719 25240 938 1 2 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.374 -0.010 25240 939 1 2 . 1 1 15 15 TYR H H 15 7.740 7.740 8.156 -0.416 25240 940 1 2 . 1 1 16 16 GLU N N 16 120.605 120.605 118.469 2.136 25240 941 1 2 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.927 -0.392 25240 942 1 2 . 1 1 16 16 GLU C C 16 178.673 178.673 178.677 -0.004 25240 943 1 2 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.458 0.539 25240 944 1 2 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.366 -0.618 25240 945 1 2 . 1 1 16 16 GLU H H 16 8.182 8.182 8.550 -0.368 25240 946 1 2 . 1 1 17 17 GLU N N 17 117.384 117.384 118.390 -1.006 25240 947 1 2 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.192 -0.071 25240 948 1 2 . 1 1 17 17 GLU C C 17 179.399 179.399 178.861 0.538 25240 949 1 2 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.288 0.563 25240 950 1 2 . 1 1 17 17 GLU CB C 17 29.436 29.436 30.114 -0.678 25240 951 1 2 . 1 1 17 17 GLU H H 17 7.839 7.839 7.604 0.235 25240 952 1 2 . 1 1 18 18 ILE N N 18 118.004 118.004 121.051 -3.047 25240 953 1 2 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.843 -0.310 25240 954 1 2 . 1 1 18 18 ILE C C 18 177.081 177.081 177.397 -0.316 25240 955 1 2 . 1 1 18 18 ILE CA C 18 66.292 66.292 64.576 1.716 25240 956 1 2 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.247 0.231 25240 957 1 2 . 1 1 18 18 ILE H H 18 7.558 7.558 8.482 -0.924 25240 958 1 2 . 1 1 19 19 LYS N N 19 121.213 121.213 116.196 5.017 25240 959 1 2 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.166 -0.517 25240 960 1 2 . 1 1 19 19 LYS C C 19 176.719 176.719 177.187 -0.468 25240 961 1 2 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.198 0.883 25240 962 1 2 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.429 0.784 25240 963 1 2 . 1 1 19 19 LYS H H 19 8.387 8.387 7.454 0.933 25240 964 1 2 . 1 1 20 20 LYS N N 20 115.307 115.307 118.722 -3.415 25240 965 1 2 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.250 -0.129 25240 966 1 2 . 1 1 20 20 LYS C C 20 178.008 178.008 178.030 -0.022 25240 967 1 2 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.834 0.103 25240 968 1 2 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.618 -0.863 25240 969 1 2 . 1 1 20 20 LYS H H 20 8.608 8.608 7.442 1.166 25240 970 1 2 . 1 1 21 21 ASP N N 21 113.556 113.556 117.697 -4.141 25240 971 1 2 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.692 -0.071 25240 972 1 2 . 1 1 21 21 ASP C C 21 175.147 175.147 175.352 -0.205 25240 973 1 2 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.729 1.003 25240 974 1 2 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.907 0.806 25240 975 1 2 . 1 1 21 21 ASP H H 21 6.395 6.395 8.175 -1.780 25240 976 1 2 . 1 1 22 22 LYS N N 22 116.543 116.543 115.622 0.921 25240 977 1 2 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.877 -0.096 25240 978 1 2 . 1 1 22 22 LYS C C 22 176.900 176.900 176.432 0.468 25240 979 1 2 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.555 -0.191 25240 980 1 2 . 1 1 22 22 LYS CB C 22 28.864 28.864 29.801 -0.937 25240 981 1 2 . 1 1 22 22 LYS H H 22 7.402 7.402 7.995 -0.593 25240 982 1 2 . 1 1 23 23 LYS N N 23 114.417 114.417 117.210 -2.793 25240 983 1 2 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.063 -0.509 25240 984 1 2 . 1 1 23 23 LYS C C 23 175.106 175.106 177.694 -2.588 25240 985 1 2 . 1 1 23 23 LYS CA C 23 58.623 58.623 57.457 1.166 25240 986 1 2 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.242 1.773 25240 987 1 2 . 1 1 23 23 LYS H H 23 7.512 7.512 8.174 -0.662 25240 988 1 2 . 1 1 24 24 HIS N N 24 108.361 108.361 117.274 -8.913 25240 989 1 2 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.432 -0.644 25240 990 1 2 . 1 1 24 24 HIS C C 24 175.308 175.308 174.937 0.371 25240 991 1 2 . 1 1 24 24 HIS CA C 24 51.298 51.298 57.006 -5.708 25240 992 1 2 . 1 1 24 24 HIS CB C 24 32.412 32.412 30.230 2.182 25240 993 1 2 . 1 1 24 24 HIS H H 24 6.099 6.099 7.819 -1.720 25240 994 1 2 . 1 1 25 25 ARG N N 25 120.707 120.707 124.669 -3.962 25240 995 1 2 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.431 -0.323 25240 996 1 2 . 1 1 25 25 ARG C C 25 173.091 173.091 175.051 -1.960 25240 997 1 2 . 1 1 25 25 ARG CA C 25 55.189 55.189 57.469 -2.280 25240 998 1 2 . 1 1 25 25 ARG CB C 25 30.581 30.581 33.264 -2.683 25240 999 1 2 . 1 1 25 25 ARG H H 25 8.066 8.066 7.910 0.156 25240 1000 1 2 . 1 1 26 26 TYR N N 26 106.634 106.634 111.613 -4.979 25240 1001 1 2 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.558 -0.492 25240 1002 1 2 . 1 1 26 26 TYR C C 26 172.224 172.224 173.166 -0.942 25240 1003 1 2 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.068 -0.336 25240 1004 1 2 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.852 0.259 25240 1005 1 2 . 1 1 26 26 TYR H H 26 6.515 6.515 7.865 -1.350 25240 1006 1 2 . 1 1 27 27 VAL N N 27 116.941 116.941 121.649 -4.708 25240 1007 1 2 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.660 0.103 25240 1008 1 2 . 1 1 27 27 VAL C C 27 173.514 173.514 173.595 -0.081 25240 1009 1 2 . 1 1 27 27 VAL CA C 27 59.310 59.310 58.964 0.346 25240 1010 1 2 . 1 1 27 27 VAL CB C 27 36.189 36.189 35.441 0.748 25240 1011 1 2 . 1 1 27 27 VAL H H 27 8.843 8.843 8.276 0.567 25240 1012 1 2 . 1 1 28 28 ILE N N 28 125.708 125.708 129.598 -3.890 25240 1013 1 2 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.851 0.190 25240 1014 1 2 . 1 1 28 28 ILE C C 28 175.590 175.590 175.026 0.564 25240 1015 1 2 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.978 -1.584 25240 1016 1 2 . 1 1 28 28 ILE CB C 28 38.135 38.135 37.895 0.240 25240 1017 1 2 . 1 1 28 28 ILE H H 28 8.915 8.915 9.099 -0.184 25240 1018 1 2 . 1 1 29 29 PHE N N 29 125.649 125.649 126.888 -1.239 25240 1019 1 2 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.514 0.346 25240 1020 1 2 . 1 1 29 29 PHE C C 29 173.958 173.958 175.848 -1.890 25240 1021 1 2 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.597 -0.606 25240 1022 1 2 . 1 1 29 29 PHE CB C 29 42.599 42.599 41.444 1.155 25240 1023 1 2 . 1 1 29 29 PHE H H 29 9.597 9.597 9.294 0.303 25240 1024 1 2 . 1 1 30 30 TYR N N 30 120.134 120.134 121.709 -1.575 25240 1025 1 2 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.840 0.543 25240 1026 1 2 . 1 1 30 30 TYR C C 30 176.840 176.840 173.756 3.084 25240 1027 1 2 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.704 -2.201 25240 1028 1 2 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.684 -1.657 25240 1029 1 2 . 1 1 30 30 TYR H H 30 9.556 9.556 9.371 0.185 25240 1030 1 2 . 1 1 31 31 ILE N N 31 118.577 118.577 124.274 -5.697 25240 1031 1 2 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.473 -0.392 25240 1032 1 2 . 1 1 31 31 ILE C C 31 174.562 174.562 174.851 -0.289 25240 1033 1 2 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.819 1.322 25240 1034 1 2 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.264 -1.159 25240 1035 1 2 . 1 1 31 31 ILE H H 31 8.475 8.475 7.857 0.618 25240 1036 1 2 . 1 1 32 32 ARG N N 32 132.544 132.544 130.500 2.044 25240 1037 1 2 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.480 -0.223 25240 1038 1 2 . 1 1 32 32 ARG C C 32 176.557 176.557 175.486 1.071 25240 1039 1 2 . 1 1 32 32 ARG CA C 32 55.304 55.304 56.779 -1.475 25240 1040 1 2 . 1 1 32 32 ARG CB C 32 31.496 31.496 31.479 0.017 25240 1041 1 2 . 1 1 32 32 ARG H H 32 8.994 8.994 8.757 0.237 25240 1042 1 2 . 1 1 33 33 ASP N N 33 128.042 128.042 124.802 3.240 25240 1043 1 2 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.252 0.005 25240 1044 1 2 . 1 1 33 33 ASP C C 33 173.615 173.615 175.496 -1.881 25240 1045 1 2 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.575 -0.699 25240 1046 1 2 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.294 -0.328 25240 1047 1 2 . 1 1 33 33 ASP H H 33 9.442 9.442 9.301 0.141 25240 1048 1 2 . 1 1 34 34 GLU N N 34 108.952 108.952 111.744 -2.792 25240 1049 1 2 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.789 0.744 25240 1050 1 2 . 1 1 34 34 GLU C C 34 174.844 174.844 175.064 -0.220 25240 1051 1 2 . 1 1 34 34 GLU CA C 34 58.394 58.394 58.085 0.309 25240 1052 1 2 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.463 -0.858 25240 1053 1 2 . 1 1 34 34 GLU H H 34 8.532 8.532 8.708 -0.176 25240 1054 1 2 . 1 1 35 35 LYS N N 35 114.285 114.285 112.767 1.518 25240 1055 1 2 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.607 -0.074 25240 1056 1 2 . 1 1 35 35 LYS C C 35 175.530 175.530 174.434 1.096 25240 1057 1 2 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.211 1.153 25240 1058 1 2 . 1 1 35 35 LYS CB C 35 36.533 36.533 34.451 2.082 25240 1059 1 2 . 1 1 35 35 LYS H H 35 7.911 7.911 7.869 0.042 25240 1060 1 2 . 1 1 36 36 GLN N N 36 118.851 118.851 117.702 1.149 25240 1061 1 2 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.993 0.034 25240 1062 1 2 . 1 1 36 36 GLN C C 36 174.139 174.139 174.407 -0.268 25240 1063 1 2 . 1 1 36 36 GLN CA C 36 54.503 54.503 54.243 0.260 25240 1064 1 2 . 1 1 36 36 GLN CB C 36 33.213 33.213 34.026 -0.813 25240 1065 1 2 . 1 1 36 36 GLN H H 36 7.483 7.483 8.186 -0.703 25240 1066 1 2 . 1 1 37 37 ILE N N 37 127.682 127.682 120.156 7.526 25240 1067 1 2 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.484 -0.189 25240 1068 1 2 . 1 1 37 37 ILE C C 37 173.333 173.333 174.986 -1.653 25240 1069 1 2 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.194 1.092 25240 1070 1 2 . 1 1 37 37 ILE CB C 37 38.021 38.021 39.138 -1.117 25240 1071 1 2 . 1 1 37 37 ILE H H 37 9.208 9.208 9.055 0.153 25240 1072 1 2 . 1 1 38 38 ASP N N 38 128.702 128.702 126.333 2.369 25240 1073 1 2 . 1 1 38 38 ASP HA H 38 5.037 5.037 5.135 -0.098 25240 1074 1 2 . 1 1 38 38 ASP C C 38 175.147 175.147 174.496 0.651 25240 1075 1 2 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.528 -0.658 25240 1076 1 2 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.473 0.445 25240 1077 1 2 . 1 1 38 38 ASP H H 38 9.380 9.380 8.833 0.547 25240 1078 1 2 . 1 1 39 39 VAL N N 39 122.387 122.387 122.594 -0.207 25240 1079 1 2 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.660 -0.793 25240 1080 1 2 . 1 1 39 39 VAL C C 39 175.268 175.268 175.426 -0.158 25240 1081 1 2 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.932 1.956 25240 1082 1 2 . 1 1 39 39 VAL CB C 39 33.671 33.671 34.742 -1.071 25240 1083 1 2 . 1 1 39 39 VAL H H 39 8.769 8.769 8.662 0.107 25240 1084 1 2 . 1 1 40 40 GLU N N 40 128.576 128.576 126.670 1.906 25240 1085 1 2 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.554 -0.287 25240 1086 1 2 . 1 1 40 40 GLU C C 40 175.711 175.711 176.556 -0.845 25240 1087 1 2 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.986 0.722 25240 1088 1 2 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.527 1.228 25240 1089 1 2 . 1 1 40 40 GLU H H 40 9.512 9.512 8.758 0.754 25240 1090 1 2 . 1 1 41 41 THR N N 41 111.962 111.962 117.514 -5.552 25240 1091 1 2 . 1 1 41 41 THR HA H 41 4.423 4.423 4.557 -0.134 25240 1092 1 2 . 1 1 41 41 THR C C 41 171.559 171.559 172.295 -0.736 25240 1093 1 2 . 1 1 41 41 THR CA C 41 61.256 61.256 61.767 -0.511 25240 1094 1 2 . 1 1 41 41 THR CB C 41 71.901 71.901 70.681 1.220 25240 1095 1 2 . 1 1 41 41 THR H H 41 7.277 7.277 7.625 -0.348 25240 1096 1 2 . 1 1 42 42 VAL N N 42 123.660 123.660 121.312 2.348 25240 1097 1 2 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.860 -0.617 25240 1098 1 2 . 1 1 42 42 VAL C C 42 173.877 173.877 173.849 0.028 25240 1099 1 2 . 1 1 42 42 VAL CA C 42 60.684 60.684 58.840 1.844 25240 1100 1 2 . 1 1 42 42 VAL CB C 42 34.015 34.015 33.253 0.762 25240 1101 1 2 . 1 1 42 42 VAL H H 42 8.264 8.264 8.444 -0.180 25240 1102 1 2 . 1 1 43 43 ALA N N 43 126.970 126.970 128.900 -1.930 25240 1103 1 2 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.661 -0.225 25240 1104 1 2 . 1 1 43 43 ALA C C 43 176.759 176.759 174.665 2.094 25240 1105 1 2 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.107 0.046 25240 1106 1 2 . 1 1 43 43 ALA CB C 43 20.737 20.737 22.179 -1.442 25240 1107 1 2 . 1 1 43 43 ALA H H 43 7.420 7.420 8.683 -1.263 25240 1108 1 2 . 1 1 44 44 ASP N N 44 120.831 120.831 119.751 1.080 25240 1109 1 2 . 1 1 44 44 ASP HA H 44 4.575 4.575 4.719 -0.144 25240 1110 1 2 . 1 1 44 44 ASP C C 44 175.771 175.771 177.686 -1.915 25240 1111 1 2 . 1 1 44 44 ASP CA C 44 54.159 54.159 51.832 2.327 25240 1112 1 2 . 1 1 44 44 ASP CB C 44 41.798 41.798 43.459 -1.661 25240 1113 1 2 . 1 1 44 44 ASP H H 44 8.285 8.285 8.300 -0.015 25240 1114 1 2 . 1 1 45 45 ARG N N 45 118.015 118.015 120.817 -2.802 25240 1115 1 2 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.143 -0.583 25240 1116 1 2 . 1 1 45 45 ARG C C 45 175.764 175.764 176.985 -1.221 25240 1117 1 2 . 1 1 45 45 ARG CA C 45 56.792 56.792 58.081 -1.289 25240 1118 1 2 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.491 0.517 25240 1119 1 2 . 1 1 45 45 ARG H H 45 8.020 8.020 8.704 -0.684 25240 1120 1 2 . 1 1 46 46 ASN N N 46 113.620 113.620 119.361 -5.741 25240 1121 1 2 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.468 0.186 25240 1122 1 2 . 1 1 46 46 ASN C C 46 175.090 175.090 175.369 -0.279 25240 1123 1 2 . 1 1 46 46 ASN CA C 46 52.900 52.900 55.289 -2.389 25240 1124 1 2 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.687 -0.895 25240 1125 1 2 . 1 1 46 46 ASN H H 46 8.184 8.184 8.416 -0.232 25240 1126 1 2 . 1 1 47 47 ALA N N 47 124.076 124.076 122.256 1.820 25240 1127 1 2 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.660 -0.453 25240 1128 1 2 . 1 1 47 47 ALA C C 47 176.472 176.472 176.176 0.296 25240 1129 1 2 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.090 1.925 25240 1130 1 2 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.716 0.250 25240 1131 1 2 . 1 1 47 47 ALA H H 47 7.515 7.515 7.439 0.076 25240 1132 1 2 . 1 1 48 48 GLU N N 48 117.871 117.871 121.842 -3.971 25240 1133 1 2 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.395 0.383 25240 1134 1 2 . 1 1 48 48 GLU C C 48 178.259 178.259 177.441 0.818 25240 1135 1 2 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.739 -0.007 25240 1136 1 2 . 1 1 48 48 GLU CB C 48 32.755 32.755 31.029 1.726 25240 1137 1 2 . 1 1 48 48 GLU H H 48 8.327 8.327 8.690 -0.363 25240 1138 1 2 . 1 1 49 49 TYR N N 49 122.704 122.704 120.629 2.075 25240 1139 1 2 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.114 -0.279 25240 1140 1 2 . 1 1 49 49 TYR C C 49 176.809 176.809 177.608 -0.799 25240 1141 1 2 . 1 1 49 49 TYR CA C 49 62.744 62.744 62.418 0.326 25240 1142 1 2 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.670 0.580 25240 1143 1 2 . 1 1 49 49 TYR H H 49 9.164 9.164 8.735 0.429 25240 1144 1 2 . 1 1 50 50 ASP N N 50 114.152 114.152 117.924 -3.772 25240 1145 1 2 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.345 -0.208 25240 1146 1 2 . 1 1 50 50 ASP C C 50 178.832 178.832 178.580 0.252 25240 1147 1 2 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.466 -1.102 25240 1148 1 2 . 1 1 50 50 ASP CB C 50 39.737 39.737 39.833 -0.096 25240 1149 1 2 . 1 1 50 50 ASP H H 50 8.516 8.516 8.955 -0.439 25240 1150 1 2 . 1 1 51 51 GLN N N 51 120.262 120.262 119.639 0.623 25240 1151 1 2 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.099 -0.187 25240 1152 1 2 . 1 1 51 51 GLN C C 51 177.180 177.180 178.329 -1.149 25240 1153 1 2 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.466 0.386 25240 1154 1 2 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.744 0.120 25240 1155 1 2 . 1 1 51 51 GLN H H 51 7.290 7.290 7.583 -0.293 25240 1156 1 2 . 1 1 52 52 PHE N N 52 121.864 121.864 122.339 -0.475 25240 1157 1 2 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.215 -0.968 25240 1158 1 2 . 1 1 52 52 PHE C C 52 175.697 175.697 176.856 -1.159 25240 1159 1 2 . 1 1 52 52 PHE CA C 52 60.569 60.569 61.459 -0.890 25240 1160 1 2 . 1 1 52 52 PHE CB C 52 38.593 38.593 39.047 -0.454 25240 1161 1 2 . 1 1 52 52 PHE H H 52 6.926 6.926 7.810 -0.884 25240 1162 1 2 . 1 1 53 53 LEU N N 53 116.512 116.512 118.530 -2.018 25240 1163 1 2 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.348 -0.155 25240 1164 1 2 . 1 1 53 53 LEU C C 53 179.877 179.877 178.779 1.098 25240 1165 1 2 . 1 1 53 53 LEU CA C 53 56.449 56.449 56.938 -0.488 25240 1166 1 2 . 1 1 53 53 LEU CB C 53 41.340 41.340 40.181 1.159 25240 1167 1 2 . 1 1 53 53 LEU H H 53 7.382 7.382 7.825 -0.443 25240 1168 1 2 . 1 1 54 54 GLU N N 54 119.308 119.308 120.016 -0.708 25240 1169 1 2 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.806 -0.148 25240 1170 1 2 . 1 1 54 54 GLU C C 54 179.371 179.371 178.823 0.548 25240 1171 1 2 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.440 -0.196 25240 1172 1 2 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.194 -0.215 25240 1173 1 2 . 1 1 54 54 GLU H H 54 7.275 7.275 8.373 -1.098 25240 1174 1 2 . 1 1 55 55 ASP N N 55 119.986 119.986 118.354 1.632 25240 1175 1 2 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.342 -0.029 25240 1176 1 2 . 1 1 55 55 ASP C C 55 179.573 179.573 178.765 0.808 25240 1177 1 2 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.567 -0.203 25240 1178 1 2 . 1 1 55 55 ASP CB C 55 40.195 40.195 40.740 -0.545 25240 1179 1 2 . 1 1 55 55 ASP H H 55 8.354 8.354 8.287 0.067 25240 1180 1 2 . 1 1 56 56 ILE N N 56 121.615 121.615 114.482 7.133 25240 1181 1 2 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.789 -0.316 25240 1182 1 2 . 1 1 56 56 ILE C C 56 173.674 173.674 177.113 -3.439 25240 1183 1 2 . 1 1 56 56 ILE CA C 56 64.461 64.461 64.043 0.418 25240 1184 1 2 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.403 -0.641 25240 1185 1 2 . 1 1 56 56 ILE H H 56 8.093 8.093 6.877 1.216 25240 1186 1 2 . 1 1 57 57 GLN N N 57 113.032 113.032 118.699 -5.667 25240 1187 1 2 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.217 -0.070 25240 1188 1 2 . 1 1 57 57 GLN C C 57 178.899 178.899 177.671 1.228 25240 1189 1 2 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.423 -1.433 25240 1190 1 2 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.126 3.828 25240 1191 1 2 . 1 1 57 57 GLN H H 57 6.377 6.377 8.084 -1.707 25240 1192 1 2 . 1 1 58 58 LYS N N 58 122.152 122.152 117.106 5.046 25240 1193 1 2 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.104 -0.262 25240 1194 1 2 . 1 1 58 58 LYS C C 58 176.674 176.674 177.050 -0.376 25240 1195 1 2 . 1 1 58 58 LYS CA C 58 59.424 59.424 58.387 1.037 25240 1196 1 2 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.014 0.055 25240 1197 1 2 . 1 1 58 58 LYS H H 58 7.280 7.280 7.666 -0.386 25240 1198 1 2 . 1 1 59 59 CYS N N 59 116.543 116.543 118.452 -1.909 25240 1199 1 2 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.482 -0.336 25240 1200 1 2 . 1 1 59 59 CYS C C 59 175.056 175.056 175.205 -0.149 25240 1201 1 2 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.048 -0.425 25240 1202 1 2 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.445 -2.526 25240 1203 1 2 . 1 1 59 59 CYS H H 59 7.784 7.784 7.649 0.135 25240 1204 1 2 . 1 1 60 60 GLY N N 60 109.550 109.550 107.397 2.153 25240 1205 1 2 . 1 1 60 60 GLY CA C 60 42.318 42.318 45.129 -2.811 25240 1206 1 2 . 1 1 60 60 GLY H H 60 7.542 7.542 7.795 -0.253 25240 1207 1 2 . 1 1 61 61 PRO HA H 61 4.228 4.228 5.023 -0.795 25240 1208 1 2 . 1 1 61 61 PRO C C 61 177.079 177.079 176.751 0.328 25240 1209 1 2 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.540 0.577 25240 1210 1 2 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.590 -1.094 25240 1211 1 2 . 1 1 62 62 GLY N N 62 106.490 106.490 106.961 -0.471 25240 1212 1 2 . 1 1 62 62 GLY C C 62 174.011 174.011 173.742 0.269 25240 1213 1 2 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.113 1.004 25240 1214 1 2 . 1 1 62 62 GLY H H 62 8.479 8.479 8.404 0.075 25240 1215 1 2 . 1 1 63 63 GLU N N 63 119.465 119.465 118.574 0.891 25240 1216 1 2 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.707 -0.409 25240 1217 1 2 . 1 1 63 63 GLU C C 63 173.775 173.775 175.487 -1.712 25240 1218 1 2 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.200 0.761 25240 1219 1 2 . 1 1 63 63 GLU CB C 63 33.557 33.557 33.675 -0.118 25240 1220 1 2 . 1 1 63 63 GLU H H 63 7.001 7.001 7.597 -0.596 25240 1221 1 2 . 1 1 64 64 CYS N N 64 111.402 111.402 120.650 -9.248 25240 1222 1 2 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.115 -0.606 25240 1223 1 2 . 1 1 64 64 CYS C C 64 173.371 173.371 174.292 -0.921 25240 1224 1 2 . 1 1 64 64 CYS CA C 64 55.647 55.647 57.280 -1.633 25240 1225 1 2 . 1 1 64 64 CYS CB C 64 31.267 31.267 28.582 2.684 25240 1226 1 2 . 1 1 64 64 CYS H H 64 6.622 6.622 8.689 -2.067 25240 1227 1 2 . 1 1 65 65 ARG N N 65 117.835 117.835 121.039 -3.204 25240 1228 1 2 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.275 0.399 25240 1229 1 2 . 1 1 65 65 ARG C C 65 174.820 174.820 173.673 1.147 25240 1230 1 2 . 1 1 65 65 ARG CA C 65 53.587 53.587 55.039 -1.452 25240 1231 1 2 . 1 1 65 65 ARG CB C 65 39.737 39.737 33.115 6.622 25240 1232 1 2 . 1 1 65 65 ARG H H 65 8.621 8.621 8.992 -0.371 25240 1233 1 2 . 1 1 66 66 TYR N N 66 114.314 114.314 118.397 -4.083 25240 1234 1 2 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.221 0.854 25240 1235 1 2 . 1 1 66 66 TYR C C 66 176.068 176.068 176.050 0.018 25240 1236 1 2 . 1 1 66 66 TYR CA C 66 54.846 54.846 56.246 -1.400 25240 1237 1 2 . 1 1 66 66 TYR CB C 66 41.798 41.798 42.190 -0.392 25240 1238 1 2 . 1 1 66 66 TYR H H 66 8.256 8.256 9.029 -0.773 25240 1239 1 2 . 1 1 67 67 GLY N N 67 107.717 107.717 107.531 0.186 25240 1240 1 2 . 1 1 67 67 GLY C C 67 170.135 170.135 171.979 -1.844 25240 1241 1 2 . 1 1 67 67 GLY CA C 67 45.575 45.575 45.196 0.380 25240 1242 1 2 . 1 1 67 67 GLY H H 67 9.831 9.831 8.916 0.915 25240 1243 1 2 . 1 1 68 68 LEU N N 68 127.494 127.494 126.224 1.270 25240 1244 1 2 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.209 0.285 25240 1245 1 2 . 1 1 68 68 LEU C C 68 173.674 173.674 174.366 -0.692 25240 1246 1 2 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.850 -0.526 25240 1247 1 2 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.709 2.469 25240 1248 1 2 . 1 1 68 68 LEU H H 68 9.391 9.391 8.782 0.609 25240 1249 1 2 . 1 1 69 69 PHE N N 69 126.775 126.775 128.064 -1.289 25240 1250 1 2 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.131 -0.628 25240 1251 1 2 . 1 1 69 69 PHE C C 69 172.629 172.629 173.935 -1.306 25240 1252 1 2 . 1 1 69 69 PHE CA C 69 56.334 56.334 56.574 -0.240 25240 1253 1 2 . 1 1 69 69 PHE CB C 69 43.744 43.744 42.114 1.630 25240 1254 1 2 . 1 1 69 69 PHE H H 69 8.017 8.017 9.530 -1.513 25240 1255 1 2 . 1 1 70 70 ASP N N 70 126.639 126.639 128.172 -1.533 25240 1256 1 2 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.306 -0.515 25240 1257 1 2 . 1 1 70 70 ASP C C 70 172.764 172.764 175.204 -2.440 25240 1258 1 2 . 1 1 70 70 ASP CA C 70 53.129 53.129 53.563 -0.434 25240 1259 1 2 . 1 1 70 70 ASP CB C 70 40.653 40.653 40.878 -0.225 25240 1260 1 2 . 1 1 70 70 ASP H H 70 7.087 7.087 8.620 -1.533 25240 1261 1 2 . 1 1 71 71 PHE N N 71 129.107 129.107 119.342 9.765 25240 1262 1 2 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.220 -0.524 25240 1263 1 2 . 1 1 71 71 PHE C C 71 174.315 174.315 173.559 0.756 25240 1264 1 2 . 1 1 71 71 PHE CA C 71 58.852 58.852 56.021 2.831 25240 1265 1 2 . 1 1 71 71 PHE CB C 71 42.713 42.713 42.184 0.529 25240 1266 1 2 . 1 1 71 71 PHE H H 71 8.656 8.656 7.964 0.692 25240 1267 1 2 . 1 1 72 72 GLU N N 72 126.483 126.483 121.368 5.115 25240 1268 1 2 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.814 0.337 25240 1269 1 2 . 1 1 72 72 GLU C C 72 175.090 175.090 174.884 0.206 25240 1270 1 2 . 1 1 72 72 GLU CA C 72 54.732 54.732 54.934 -0.203 25240 1271 1 2 . 1 1 72 72 GLU CB C 72 31.840 31.840 30.598 1.242 25240 1272 1 2 . 1 1 72 72 GLU H H 72 8.134 8.134 8.701 -0.567 25240 1273 1 2 . 1 1 73 73 TYR N N 73 120.527 120.527 126.972 -6.445 25240 1274 1 2 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.939 -0.264 25240 1275 1 2 . 1 1 73 73 TYR C C 73 172.966 172.966 174.301 -1.335 25240 1276 1 2 . 1 1 73 73 TYR CA C 73 55.991 55.991 56.886 -0.895 25240 1277 1 2 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.577 -2.068 25240 1278 1 2 . 1 1 73 73 TYR H H 73 8.504 8.504 7.969 0.535 25240 1279 1 2 . 1 1 74 74 MET N N 74 118.604 118.604 125.451 -6.847 25240 1280 1 2 . 1 1 74 74 MET HA H 74 4.729 4.729 5.086 -0.357 25240 1281 1 2 . 1 1 74 74 MET C C 74 176.000 176.000 174.183 1.817 25240 1282 1 2 . 1 1 74 74 MET CA C 74 53.930 53.930 54.453 -0.523 25240 1283 1 2 . 1 1 74 74 MET CB C 74 32.412 32.412 34.250 -1.838 25240 1284 1 2 . 1 1 74 74 MET H H 74 8.752 8.752 8.363 0.389 25240 1285 1 2 . 1 1 75 75 HIS N N 75 123.810 123.810 122.996 0.814 25240 1286 1 2 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.690 -0.015 25240 1287 1 2 . 1 1 75 75 HIS C C 75 174.112 174.112 173.552 0.560 25240 1288 1 2 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.681 0.081 25240 1289 1 2 . 1 1 75 75 HIS CB C 75 32.755 32.755 34.142 -1.387 25240 1290 1 2 . 1 1 75 75 HIS H H 75 8.902 8.902 8.301 0.601 25240 1291 1 2 . 1 1 76 76 GLN N N 76 125.324 125.324 123.498 1.826 25240 1292 1 2 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.299 -0.003 25240 1293 1 2 . 1 1 76 76 GLN C C 76 175.056 175.056 175.760 -0.704 25240 1294 1 2 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.836 -0.647 25240 1295 1 2 . 1 1 76 76 GLN CB C 76 29.551 29.551 28.459 1.092 25240 1296 1 2 . 1 1 76 76 GLN H H 76 8.292 8.292 8.126 0.166 25240 1297 1 2 . 1 1 77 77 CYS N N 77 123.013 123.013 123.566 -0.553 25240 1298 1 2 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.655 -0.359 25240 1299 1 2 . 1 1 77 77 CYS C C 77 174.719 174.719 175.087 -0.368 25240 1300 1 2 . 1 1 77 77 CYS CA C 77 58.738 58.738 57.796 0.942 25240 1301 1 2 . 1 1 77 77 CYS CB C 77 27.948 27.948 27.359 0.589 25240 1302 1 2 . 1 1 77 77 CYS H H 77 8.420 8.420 8.794 -0.374 25240 1303 1 2 . 1 1 78 78 GLN N N 78 123.960 123.960 124.658 -0.698 25240 1304 1 2 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.912 0.188 25240 1305 1 2 . 1 1 78 78 GLN C C 78 176.910 176.910 175.609 1.301 25240 1306 1 2 . 1 1 78 78 GLN CA C 78 57.021 57.021 56.744 0.277 25240 1307 1 2 . 1 1 78 78 GLN CB C 78 28.635 28.635 26.562 2.073 25240 1308 1 2 . 1 1 78 78 GLN H H 78 8.658 8.658 9.249 -0.591 25240 1309 1 2 . 1 1 79 79 GLY N N 79 111.173 111.173 104.030 7.143 25240 1310 1 2 . 1 1 79 79 GLY C C 79 174.315 174.315 174.839 -0.524 25240 1311 1 2 . 1 1 79 79 GLY CA C 79 45.460 45.460 44.994 0.466 25240 1312 1 2 . 1 1 79 79 GLY H H 79 8.636 8.636 8.200 0.436 25240 1313 1 2 . 1 1 80 80 THR N N 80 111.761 111.761 117.320 -5.559 25240 1314 1 2 . 1 1 80 80 THR HA H 80 4.483 4.483 4.241 0.242 25240 1315 1 2 . 1 1 80 80 THR C C 80 174.483 174.483 174.260 0.223 25240 1316 1 2 . 1 1 80 80 THR CA C 80 60.912 60.912 63.137 -2.225 25240 1317 1 2 . 1 1 80 80 THR CB C 80 70.413 70.413 69.587 0.826 25240 1318 1 2 . 1 1 80 80 THR H H 80 7.730 7.730 7.755 -0.025 25240 1319 1 2 . 1 1 81 81 SER N N 81 116.277 116.277 121.667 -5.390 25240 1320 1 2 . 1 1 81 81 SER HA H 81 3.810 3.810 4.388 -0.578 25240 1321 1 2 . 1 1 81 81 SER C C 81 174.517 174.517 174.878 -0.361 25240 1322 1 2 . 1 1 81 81 SER CA C 81 58.738 58.738 58.532 0.206 25240 1323 1 2 . 1 1 81 81 SER CB C 81 63.545 63.545 62.104 1.441 25240 1324 1 2 . 1 1 81 81 SER H H 81 8.312 8.312 8.733 -0.421 25240 1325 1 2 . 1 1 82 82 GLU N N 82 121.911 121.911 120.902 1.009 25240 1326 1 2 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.272 -0.023 25240 1327 1 2 . 1 1 82 82 GLU C C 82 176.202 176.202 176.852 -0.650 25240 1328 1 2 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.539 -0.090 25240 1329 1 2 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.898 0.797 25240 1330 1 2 . 1 1 82 82 GLU H H 82 8.058 8.058 7.789 0.269 25240 1331 1 2 . 1 1 83 83 SER N N 83 117.340 117.340 114.397 2.943 25240 1332 1 2 . 1 1 83 83 SER HA H 83 4.292 4.292 4.137 0.155 25240 1333 1 2 . 1 1 83 83 SER C C 83 174.146 174.146 173.532 0.614 25240 1334 1 2 . 1 1 83 83 SER CA C 83 58.165 58.165 58.489 -0.324 25240 1335 1 2 . 1 1 83 83 SER CB C 83 64.461 64.461 61.992 2.469 25240 1336 1 2 . 1 1 83 83 SER H H 83 8.355 8.355 7.887 0.468 25240 1337 1 2 . 1 1 84 84 SER N N 84 117.340 117.340 118.715 -1.375 25240 1338 1 2 . 1 1 84 84 SER HA H 84 4.734 4.734 4.245 0.489 25240 1339 1 2 . 1 1 84 84 SER C C 84 173.236 173.236 174.013 -0.777 25240 1340 1 2 . 1 1 84 84 SER CA C 84 57.708 57.708 59.472 -1.764 25240 1341 1 2 . 1 1 84 84 SER CB C 84 64.919 64.919 63.615 1.304 25240 1342 1 2 . 1 1 84 84 SER H H 84 8.435 8.435 8.258 0.177 25240 1343 1 2 . 1 1 85 85 LYS N N 85 123.283 123.283 128.460 -5.177 25240 1344 1 2 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.806 -0.350 25240 1345 1 2 . 1 1 85 85 LYS C C 85 176.236 176.236 175.573 0.663 25240 1346 1 2 . 1 1 85 85 LYS CA C 85 56.677 56.677 54.923 1.754 25240 1347 1 2 . 1 1 85 85 LYS CB C 85 32.755 32.755 33.342 -0.586 25240 1348 1 2 . 1 1 85 85 LYS H H 85 8.274 8.274 8.506 -0.232 25240 1349 1 2 . 1 1 86 86 LYS N N 86 125.176 125.176 125.898 -0.722 25240 1350 1 2 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.574 -0.269 25240 1351 1 2 . 1 1 86 86 LYS C C 86 174.753 174.753 175.023 -0.270 25240 1352 1 2 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.775 -0.387 25240 1353 1 2 . 1 1 86 86 LYS CB C 86 34.358 34.358 35.305 -0.947 25240 1354 1 2 . 1 1 86 86 LYS H H 86 8.590 8.590 7.901 0.689 25240 1355 1 2 . 1 1 87 87 GLN N N 87 118.903 118.903 124.706 -5.803 25240 1356 1 2 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.499 0.670 25240 1357 1 2 . 1 1 87 87 GLN C C 87 175.562 175.562 175.509 0.053 25240 1358 1 2 . 1 1 87 87 GLN CA C 87 54.617 54.617 56.087 -1.470 25240 1359 1 2 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.715 1.980 25240 1360 1 2 . 1 1 87 87 GLN H H 87 7.946 7.946 8.627 -0.681 25240 1361 1 2 . 1 1 88 88 LYS N N 88 124.114 124.114 125.474 -1.360 25240 1362 1 2 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.413 0.225 25240 1363 1 2 . 1 1 88 88 LYS C C 88 174.449 174.449 174.594 -0.145 25240 1364 1 2 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.821 0.597 25240 1365 1 2 . 1 1 88 88 LYS CB C 88 36.876 36.876 35.313 1.563 25240 1366 1 2 . 1 1 88 88 LYS H H 88 9.258 9.258 8.889 0.369 25240 1367 1 2 . 1 1 89 89 LEU N N 89 123.968 123.968 124.405 -0.437 25240 1368 1 2 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.036 0.084 25240 1369 1 2 . 1 1 89 89 LEU C C 89 176.843 176.843 176.038 0.805 25240 1370 1 2 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.555 0.062 25240 1371 1 2 . 1 1 89 89 LEU CB C 89 43.972 43.972 42.383 1.589 25240 1372 1 2 . 1 1 89 89 LEU H H 89 8.318 8.318 8.438 -0.120 25240 1373 1 2 . 1 1 90 90 PHE N N 90 118.366 118.366 122.391 -4.025 25240 1374 1 2 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.321 0.126 25240 1375 1 2 . 1 1 90 90 PHE C C 90 171.786 171.786 174.433 -2.647 25240 1376 1 2 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.818 -1.629 25240 1377 1 2 . 1 1 90 90 PHE CB C 90 43.286 43.286 43.588 -0.302 25240 1378 1 2 . 1 1 90 90 PHE H H 90 8.465 8.465 9.474 -1.009 25240 1379 1 2 . 1 1 91 91 LEU N N 91 121.719 121.719 125.833 -4.114 25240 1380 1 2 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.406 0.099 25240 1381 1 2 . 1 1 91 91 LEU C C 91 174.449 174.449 175.430 -0.981 25240 1382 1 2 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.791 -0.891 25240 1383 1 2 . 1 1 91 91 LEU CB C 91 47.177 47.177 44.998 2.179 25240 1384 1 2 . 1 1 91 91 LEU H H 91 8.437 8.437 9.471 -1.034 25240 1385 1 2 . 1 1 92 92 MET N N 92 126.389 126.389 125.549 0.840 25240 1386 1 2 . 1 1 92 92 MET HA H 92 6.176 6.176 5.945 0.231 25240 1387 1 2 . 1 1 92 92 MET C C 92 176.169 176.169 175.351 0.818 25240 1388 1 2 . 1 1 92 92 MET CA C 92 53.015 53.015 53.701 -0.686 25240 1389 1 2 . 1 1 92 92 MET CB C 92 39.623 39.623 34.634 4.989 25240 1390 1 2 . 1 1 92 92 MET H H 92 10.273 10.273 9.580 0.693 25240 1391 1 2 . 1 1 93 93 SER N N 93 120.841 120.841 119.119 1.722 25240 1392 1 2 . 1 1 93 93 SER HA H 93 4.885 4.885 5.141 -0.256 25240 1393 1 2 . 1 1 93 93 SER C C 93 172.225 172.225 173.183 -0.958 25240 1394 1 2 . 1 1 93 93 SER CA C 93 56.563 56.563 58.091 -1.528 25240 1395 1 2 . 1 1 93 93 SER CB C 93 63.545 63.545 65.474 -1.929 25240 1396 1 2 . 1 1 93 93 SER H H 93 9.038 9.038 9.366 -0.328 25240 1397 1 2 . 1 1 94 94 TRP N N 94 129.918 129.918 131.021 -1.103 25240 1398 1 2 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.303 -0.156 25240 1399 1 2 . 1 1 94 94 TRP C C 94 173.270 173.270 174.410 -1.140 25240 1400 1 2 . 1 1 94 94 TRP CA C 94 54.961 54.961 56.351 -1.390 25240 1401 1 2 . 1 1 94 94 TRP CB C 94 30.695 30.695 31.012 -0.317 25240 1402 1 2 . 1 1 94 94 TRP H H 94 9.001 9.001 9.413 -0.412 25240 1403 1 2 . 1 1 95 95 CYS N N 95 122.538 122.538 126.958 -4.420 25240 1404 1 2 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.693 0.128 25240 1405 1 2 . 1 1 95 95 CYS CA C 95 53.813 53.813 55.369 -1.556 25240 1406 1 2 . 1 1 95 95 CYS H H 95 7.319 7.319 8.889 -1.570 25240 1407 1 2 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.502 -0.683 25240 1408 1 2 . 1 1 96 96 PRO C C 96 177.888 177.888 176.798 1.090 25240 1409 1 2 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.109 -1.281 25240 1410 1 2 . 1 1 96 96 PRO CB C 96 31.840 31.840 31.070 0.770 25240 1411 1 2 . 1 1 97 97 ASP N N 97 118.960 118.960 124.754 -5.794 25240 1412 1 2 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.218 -0.160 25240 1413 1 2 . 1 1 97 97 ASP C C 97 176.809 176.809 177.369 -0.560 25240 1414 1 2 . 1 1 97 97 ASP CA C 97 56.906 56.906 57.248 -0.342 25240 1415 1 2 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.501 0.381 25240 1416 1 2 . 1 1 97 97 ASP H H 97 8.040 8.040 8.358 -0.318 25240 1417 1 2 . 1 1 98 98 THR N N 98 104.267 104.267 113.951 -9.684 25240 1418 1 2 . 1 1 98 98 THR HA H 98 3.856 3.856 4.192 -0.336 25240 1419 1 2 . 1 1 98 98 THR C C 98 174.921 174.921 173.925 0.996 25240 1420 1 2 . 1 1 98 98 THR CA C 98 61.599 61.599 63.601 -2.002 25240 1421 1 2 . 1 1 98 98 THR CB C 98 68.925 68.925 68.545 0.380 25240 1422 1 2 . 1 1 98 98 THR H H 98 6.917 6.917 7.924 -1.007 25240 1423 1 2 . 1 1 99 99 ALA N N 99 125.807 125.807 124.224 1.583 25240 1424 1 2 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.423 -0.407 25240 1425 1 2 . 1 1 99 99 ALA C C 99 177.045 177.045 176.073 0.972 25240 1426 1 2 . 1 1 99 99 ALA CA C 99 52.099 52.099 51.161 0.938 25240 1427 1 2 . 1 1 99 99 ALA CB C 99 19.020 19.020 18.414 0.606 25240 1428 1 2 . 1 1 99 99 ALA H H 99 7.496 7.496 7.264 0.232 25240 1429 1 2 . 1 1 100 100 LYS N N 100 119.465 119.465 125.696 -6.231 25240 1430 1 2 . 1 1 100 100 LYS HA H 100 4.085 4.085 3.979 0.106 25240 1431 1 2 . 1 1 100 100 LYS C C 100 178.832 178.832 176.515 2.317 25240 1432 1 2 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.455 -0.121 25240 1433 1 2 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.591 -0.064 25240 1434 1 2 . 1 1 100 100 LYS H H 100 8.271 8.271 7.977 0.294 25240 1435 1 2 . 1 1 101 101 VAL N N 101 123.351 123.351 121.075 2.276 25240 1436 1 2 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.705 -0.308 25240 1437 1 2 . 1 1 101 101 VAL C C 101 177.584 177.584 177.435 0.149 25240 1438 1 2 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.078 1.901 25240 1439 1 2 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.995 -0.499 25240 1440 1 2 . 1 1 101 101 VAL H H 101 8.518 8.518 8.686 -0.168 25240 1441 1 2 . 1 1 102 102 LYS N N 102 118.249 118.249 118.606 -0.357 25240 1442 1 2 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.194 -0.263 25240 1443 1 2 . 1 1 102 102 LYS C C 102 179.540 179.540 178.397 1.143 25240 1444 1 2 . 1 1 102 102 LYS CA C 102 59.882 59.882 58.436 1.446 25240 1445 1 2 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.970 0.328 25240 1446 1 2 . 1 1 102 102 LYS H H 102 8.558 8.558 8.193 0.365 25240 1447 1 2 . 1 1 103 103 LYS N N 103 118.668 118.668 120.455 -1.787 25240 1448 1 2 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.229 -0.111 25240 1449 1 2 . 1 1 103 103 LYS C C 103 177.921 177.921 178.264 -0.343 25240 1450 1 2 . 1 1 103 103 LYS CA C 103 58.394 58.394 58.541 -0.147 25240 1451 1 2 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.589 -0.749 25240 1452 1 2 . 1 1 103 103 LYS H H 103 6.854 6.854 8.091 -1.237 25240 1453 1 2 . 1 1 104 104 LYS N N 104 119.199 119.199 119.417 -0.218 25240 1454 1 2 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.416 -0.522 25240 1455 1 2 . 1 1 104 104 LYS C C 104 180.011 180.011 178.686 1.325 25240 1456 1 2 . 1 1 104 104 LYS CA C 104 60.684 60.684 57.844 2.840 25240 1457 1 2 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.542 0.183 25240 1458 1 2 . 1 1 104 104 LYS H H 104 8.048 8.048 8.083 -0.035 25240 1459 1 2 . 1 1 105 105 MET N N 105 118.021 118.021 120.312 -2.291 25240 1460 1 2 . 1 1 105 105 MET HA H 105 4.121 4.121 4.289 -0.168 25240 1461 1 2 . 1 1 105 105 MET C C 105 178.899 178.899 177.379 1.520 25240 1462 1 2 . 1 1 105 105 MET CA C 105 58.509 58.509 57.435 1.074 25240 1463 1 2 . 1 1 105 105 MET CB C 105 32.069 32.069 31.982 0.087 25240 1464 1 2 . 1 1 105 105 MET H H 105 8.546 8.546 7.542 1.004 25240 1465 1 2 . 1 1 106 106 LEU N N 106 122.895 122.895 117.030 5.865 25240 1466 1 2 . 1 1 106 106 LEU HA H 106 4.036 4.036 3.998 0.038 25240 1467 1 2 . 1 1 106 106 LEU C C 106 179.910 179.910 179.846 0.064 25240 1468 1 2 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.778 0.387 25240 1469 1 2 . 1 1 106 106 LEU CB C 106 41.912 41.912 40.908 1.004 25240 1470 1 2 . 1 1 106 106 LEU H H 106 7.674 7.674 7.522 0.152 25240 1471 1 2 . 1 1 107 107 TYR N N 107 119.036 119.036 119.043 -0.007 25240 1472 1 2 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.679 -0.645 25240 1473 1 2 . 1 1 107 107 TYR C C 107 181.360 181.360 177.639 3.721 25240 1474 1 2 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.522 0.390 25240 1475 1 2 . 1 1 107 107 TYR CB C 107 37.677 37.677 37.881 -0.204 25240 1476 1 2 . 1 1 107 107 TYR H H 107 8.669 8.669 7.695 0.974 25240 1477 1 2 . 1 1 108 108 SER N N 108 118.372 118.372 114.860 3.512 25240 1478 1 2 . 1 1 108 108 SER HA H 108 4.324 4.324 3.659 0.665 25240 1479 1 2 . 1 1 108 108 SER C C 108 178.023 178.023 176.321 1.702 25240 1480 1 2 . 1 1 108 108 SER CA C 108 62.286 62.286 61.630 0.656 25240 1481 1 2 . 1 1 108 108 SER CB C 108 63.545 63.545 62.290 1.255 25240 1482 1 2 . 1 1 108 108 SER H H 108 8.973 8.973 7.671 1.302 25240 1483 1 2 . 1 1 109 109 SER N N 109 116.727 116.727 116.067 0.660 25240 1484 1 2 . 1 1 109 109 SER HA H 109 4.292 4.292 4.308 -0.016 25240 1485 1 2 . 1 1 109 109 SER C C 109 176.405 176.405 176.597 -0.192 25240 1486 1 2 . 1 1 109 109 SER CA C 109 61.370 61.370 61.016 0.354 25240 1487 1 2 . 1 1 109 109 SER CB C 109 63.202 63.202 63.584 -0.382 25240 1488 1 2 . 1 1 109 109 SER H H 109 8.353 8.353 7.449 0.904 25240 1489 1 2 . 1 1 110 110 SER N N 110 115.229 115.229 118.734 -3.505 25240 1490 1 2 . 1 1 110 110 SER HA H 110 4.549 4.549 4.113 0.436 25240 1491 1 2 . 1 1 110 110 SER C C 110 172.899 172.899 175.962 -3.063 25240 1492 1 2 . 1 1 110 110 SER CA C 110 59.424 59.424 61.301 -1.877 25240 1493 1 2 . 1 1 110 110 SER CB C 110 62.973 62.973 62.974 -0.001 25240 1494 1 2 . 1 1 110 110 SER H H 110 7.236 7.236 7.657 -0.421 25240 1495 1 2 . 1 1 111 111 PHE N N 111 120.978 120.978 122.214 -1.236 25240 1496 1 2 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.743 0.272 25240 1497 1 2 . 1 1 111 111 PHE C C 111 177.483 177.483 176.615 0.868 25240 1498 1 2 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.482 -3.774 25240 1499 1 2 . 1 1 111 111 PHE CB C 111 38.364 38.364 38.876 -0.512 25240 1500 1 2 . 1 1 111 111 PHE H H 111 7.069 7.069 8.373 -1.304 25240 1501 1 2 . 1 1 112 112 ASP N N 112 116.485 116.485 118.767 -2.282 25240 1502 1 2 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.222 -0.469 25240 1503 1 2 . 1 1 112 112 ASP C C 112 177.281 177.281 177.503 -0.222 25240 1504 1 2 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.181 1.298 25240 1505 1 2 . 1 1 112 112 ASP CB C 112 40.424 40.424 41.010 -0.586 25240 1506 1 2 . 1 1 112 112 ASP H H 112 8.305 8.305 7.605 0.700 25240 1507 1 2 . 1 1 113 113 ALA N N 113 121.059 121.059 122.387 -1.328 25240 1508 1 2 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.937 -0.184 25240 1509 1 2 . 1 1 113 113 ALA C C 113 180.416 180.416 179.741 0.675 25240 1510 1 2 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.955 -0.109 25240 1511 1 2 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.750 -1.675 25240 1512 1 2 . 1 1 113 113 ALA H H 113 7.393 7.393 7.345 0.048 25240 1513 1 2 . 1 1 114 114 LEU N N 114 118.535 118.535 115.573 2.962 25240 1514 1 2 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.934 -0.302 25240 1515 1 2 . 1 1 114 114 LEU C C 114 178.191 178.191 178.033 0.158 25240 1516 1 2 . 1 1 114 114 LEU CA C 114 56.906 56.906 56.403 0.503 25240 1517 1 2 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.038 1.302 25240 1518 1 2 . 1 1 114 114 LEU H H 114 6.647 6.647 8.215 -1.568 25240 1519 1 2 . 1 1 115 115 LYS N N 115 117.340 117.340 119.176 -1.836 25240 1520 1 2 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.641 -0.412 25240 1521 1 2 . 1 1 115 115 LYS C C 115 179.877 179.877 177.936 1.941 25240 1522 1 2 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.363 0.061 25240 1523 1 2 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.539 0.415 25240 1524 1 2 . 1 1 115 115 LYS H H 115 7.730 7.730 7.467 0.263 25240 1525 1 2 . 1 1 116 116 LYS N N 116 116.144 116.144 117.271 -1.127 25240 1526 1 2 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.042 -0.342 25240 1527 1 2 . 1 1 116 116 LYS C C 116 177.652 177.652 178.152 -0.500 25240 1528 1 2 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.531 -0.137 25240 1529 1 2 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.315 0.213 25240 1530 1 2 . 1 1 116 116 LYS H H 116 7.714 7.714 7.434 0.280 25240 1531 1 2 . 1 1 117 117 SER N N 117 111.789 111.789 114.739 -2.950 25240 1532 1 2 . 1 1 117 117 SER HA H 117 4.179 4.179 4.189 -0.010 25240 1533 1 2 . 1 1 117 117 SER C C 117 174.483 174.483 175.306 -0.823 25240 1534 1 2 . 1 1 117 117 SER CA C 117 60.912 60.912 60.775 0.137 25240 1535 1 2 . 1 1 117 117 SER CB C 117 64.232 64.232 64.392 -0.160 25240 1536 1 2 . 1 1 117 117 SER H H 117 6.957 6.957 7.533 -0.576 25240 1537 1 2 . 1 1 118 118 LEU N N 118 122.293 122.293 115.474 6.819 25240 1538 1 2 . 1 1 118 118 LEU HA H 118 3.922 3.922 4.285 -0.363 25240 1539 1 2 . 1 1 118 118 LEU C C 118 175.730 175.730 175.938 -0.208 25240 1540 1 2 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.661 -1.447 25240 1541 1 2 . 1 1 118 118 LEU CB C 118 37.448 37.448 41.352 -3.904 25240 1542 1 2 . 1 1 118 118 LEU H H 118 6.997 6.997 7.926 -0.929 25240 1543 1 2 . 1 1 119 119 VAL N N 119 121.059 121.059 120.834 0.225 25240 1544 1 2 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.818 -0.191 25240 1545 1 2 . 1 1 119 119 VAL C C 119 178.697 178.697 177.290 1.407 25240 1546 1 2 . 1 1 119 119 VAL CA C 119 64.919 64.919 64.299 0.620 25240 1547 1 2 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.306 -0.924 25240 1548 1 2 . 1 1 119 119 VAL H H 119 7.347 7.347 7.055 0.292 25240 1549 1 2 . 1 1 120 120 GLY N N 120 117.377 117.377 116.127 1.250 25240 1550 1 2 . 1 1 120 120 GLY C C 120 174.517 174.517 174.198 0.319 25240 1551 1 2 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.558 0.330 25240 1552 1 2 . 1 1 120 120 GLY H H 120 9.077 9.077 8.686 0.391 25240 1553 1 2 . 1 1 121 121 VAL N N 121 122.254 122.254 122.211 0.043 25240 1554 1 2 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.684 0.078 25240 1555 1 2 . 1 1 121 121 VAL C C 121 175.966 175.966 176.027 -0.061 25240 1556 1 2 . 1 1 121 121 VAL CA C 121 64.117 64.117 64.082 0.035 25240 1557 1 2 . 1 1 121 121 VAL CB C 121 31.611 31.611 32.127 -0.516 25240 1558 1 2 . 1 1 121 121 VAL H H 121 7.316 7.316 7.604 -0.288 25240 1559 1 2 . 1 1 122 122 GLN N N 122 123.484 123.484 126.049 -2.565 25240 1560 1 2 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.128 0.125 25240 1561 1 2 . 1 1 122 122 GLN C C 122 174.854 174.854 176.239 -1.385 25240 1562 1 2 . 1 1 122 122 GLN CA C 122 56.105 56.105 57.941 -1.835 25240 1563 1 2 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.328 1.712 25240 1564 1 2 . 1 1 122 122 GLN H H 122 8.678 8.678 8.365 0.313 25240 1565 1 2 . 1 1 123 123 LYS N N 123 117.871 117.871 119.058 -1.187 25240 1566 1 2 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.496 -0.186 25240 1567 1 2 . 1 1 123 123 LYS C C 123 173.000 173.000 174.350 -1.350 25240 1568 1 2 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.238 -1.880 25240 1569 1 2 . 1 1 123 123 LYS CB C 123 34.816 34.816 35.358 -0.542 25240 1570 1 2 . 1 1 123 123 LYS H H 123 6.726 6.726 7.431 -0.705 25240 1571 1 2 . 1 1 124 124 TYR N N 124 123.352 123.352 121.793 1.559 25240 1572 1 2 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.743 0.156 25240 1573 1 2 . 1 1 124 124 TYR C C 124 175.663 175.663 174.918 0.745 25240 1574 1 2 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.465 -0.619 25240 1575 1 2 . 1 1 124 124 TYR CB C 124 40.424 40.424 39.690 0.734 25240 1576 1 2 . 1 1 124 124 TYR H H 124 8.441 8.441 8.008 0.433 25240 1577 1 2 . 1 1 125 125 ILE N N 125 122.835 122.835 123.638 -0.803 25240 1578 1 2 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.749 -0.347 25240 1579 1 2 . 1 1 125 125 ILE C C 125 174.348 174.348 174.279 0.069 25240 1580 1 2 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.750 0.132 25240 1581 1 2 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.538 -0.282 25240 1582 1 2 . 1 1 125 125 ILE H H 125 9.123 9.123 9.373 -0.250 25240 1583 1 2 . 1 1 126 126 GLN N N 126 126.869 126.869 128.900 -2.031 25240 1584 1 2 . 1 1 126 126 GLN HA H 126 4.877 4.877 5.221 -0.344 25240 1585 1 2 . 1 1 126 126 GLN C C 126 174.146 174.146 174.174 -0.028 25240 1586 1 2 . 1 1 126 126 GLN CA C 126 55.075 55.075 54.695 0.380 25240 1587 1 2 . 1 1 126 126 GLN CB C 126 29.551 29.551 30.835 -1.284 25240 1588 1 2 . 1 1 126 126 GLN H H 126 8.916 8.916 8.666 0.250 25240 1589 1 2 . 1 1 127 127 ALA N N 127 127.414 127.414 128.697 -1.283 25240 1590 1 2 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.841 0.122 25240 1591 1 2 . 1 1 127 127 ALA C C 127 176.539 176.539 176.979 -0.440 25240 1592 1 2 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.819 0.135 25240 1593 1 2 . 1 1 127 127 ALA CB C 127 21.882 21.882 21.504 0.378 25240 1594 1 2 . 1 1 127 127 ALA H H 127 8.829 8.829 9.286 -0.457 25240 1595 1 2 . 1 1 128 128 THR N N 128 112.753 112.753 113.990 -1.237 25240 1596 1 2 . 1 1 128 128 THR HA H 128 3.994 3.994 4.549 -0.555 25240 1597 1 2 . 1 1 128 128 THR C C 128 172.933 172.933 174.055 -1.122 25240 1598 1 2 . 1 1 128 128 THR CA C 128 60.912 60.912 62.373 -1.461 25240 1599 1 2 . 1 1 128 128 THR CB C 128 70.527 70.527 69.424 1.103 25240 1600 1 2 . 1 1 128 128 THR H H 128 9.350 9.350 8.633 0.717 25240 1601 1 2 . 1 1 129 129 ASP N N 129 118.551 118.551 117.615 0.936 25240 1602 1 2 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.197 0.381 25240 1603 1 2 . 1 1 129 129 ASP C C 129 176.573 176.573 176.276 0.297 25240 1604 1 2 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.862 0.153 25240 1605 1 2 . 1 1 129 129 ASP CB C 129 43.744 43.744 41.891 1.853 25240 1606 1 2 . 1 1 129 129 ASP H H 129 7.602 7.602 7.526 0.076 25240 1607 1 2 . 1 1 130 130 LEU N N 130 122.387 122.387 120.348 2.039 25240 1608 1 2 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.499 -0.522 25240 1609 1 2 . 1 1 130 130 LEU C C 130 179.202 179.202 177.983 1.219 25240 1610 1 2 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.120 0.931 25240 1611 1 2 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.167 -0.598 25240 1612 1 2 . 1 1 130 130 LEU H H 130 8.910 8.910 8.706 0.204 25240 1613 1 2 . 1 1 131 131 SER N N 131 116.410 116.410 115.399 1.011 25240 1614 1 2 . 1 1 131 131 SER HA H 131 3.856 3.856 4.349 -0.493 25240 1615 1 2 . 1 1 131 131 SER C C 131 177.180 177.180 175.485 1.695 25240 1616 1 2 . 1 1 131 131 SER CA C 131 62.515 62.515 61.006 1.509 25240 1617 1 2 . 1 1 131 131 SER CB C 131 68.352 68.352 63.311 5.041 25240 1618 1 2 . 1 1 131 131 SER H H 131 8.645 8.645 8.872 -0.227 25240 1619 1 2 . 1 1 132 132 GLU N N 132 120.840 120.840 118.104 2.736 25240 1620 1 2 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.442 -0.372 25240 1621 1 2 . 1 1 132 132 GLU C C 132 175.427 175.427 175.441 -0.014 25240 1622 1 2 . 1 1 132 132 GLU CA C 132 57.021 57.021 55.989 1.032 25240 1623 1 2 . 1 1 132 132 GLU CB C 132 31.039 31.039 30.779 0.260 25240 1624 1 2 . 1 1 132 132 GLU H H 132 7.749 7.749 7.897 -0.148 25240 1625 1 2 . 1 1 133 133 ALA N N 133 117.182 117.182 122.407 -5.225 25240 1626 1 2 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.658 -0.307 25240 1627 1 2 . 1 1 133 133 ALA C C 133 175.730 175.730 175.498 0.232 25240 1628 1 2 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.395 -1.013 25240 1629 1 2 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.833 0.446 25240 1630 1 2 . 1 1 133 133 ALA H H 133 7.347 7.347 7.218 0.129 25240 1631 1 2 . 1 1 134 134 SER N N 134 115.197 115.197 117.020 -1.823 25240 1632 1 2 . 1 1 134 134 SER HA H 134 4.185 4.185 4.606 -0.421 25240 1633 1 2 . 1 1 134 134 SER C C 134 173.067 173.067 174.517 -1.450 25240 1634 1 2 . 1 1 134 134 SER CA C 134 58.509 58.509 56.557 1.952 25240 1635 1 2 . 1 1 134 134 SER CB C 134 64.690 64.690 64.927 -0.237 25240 1636 1 2 . 1 1 134 134 SER H H 134 7.061 7.061 8.338 -1.277 25240 1637 1 2 . 1 1 135 135 ARG N N 135 122.190 122.190 123.149 -0.959 25240 1638 1 2 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.600 0.585 25240 1639 1 2 . 1 1 135 135 ARG C C 135 177.888 177.888 177.109 0.779 25240 1640 1 2 . 1 1 135 135 ARG CA C 135 60.111 60.111 59.183 0.928 25240 1641 1 2 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.602 -0.052 25240 1642 1 2 . 1 1 135 135 ARG H H 135 8.961 8.961 8.923 0.038 25240 1643 1 2 . 1 1 136 136 GLU N N 136 115.480 115.480 119.391 -3.911 25240 1644 1 2 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.071 -0.276 25240 1645 1 2 . 1 1 136 136 GLU C C 136 178.865 178.865 177.402 1.463 25240 1646 1 2 . 1 1 136 136 GLU CA C 136 59.997 59.997 58.832 1.165 25240 1647 1 2 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.427 -0.678 25240 1648 1 2 . 1 1 136 136 GLU H H 136 8.588 8.588 7.911 0.677 25240 1649 1 2 . 1 1 137 137 ALA N N 137 123.947 123.947 120.490 3.457 25240 1650 1 2 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.470 -0.548 25240 1651 1 2 . 1 1 137 137 ALA C C 137 181.191 181.191 178.984 2.207 25240 1652 1 2 . 1 1 137 137 ALA CA C 137 54.846 54.846 53.597 1.249 25240 1653 1 2 . 1 1 137 137 ALA CB C 137 18.334 18.334 19.198 -0.864 25240 1654 1 2 . 1 1 137 137 ALA H H 137 7.578 7.578 7.351 0.227 25240 1655 1 2 . 1 1 138 138 VAL N N 138 119.326 119.326 119.385 -0.059 25240 1656 1 2 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.269 0.636 25240 1657 1 2 . 1 1 138 138 VAL C C 138 177.584 177.584 177.230 0.354 25240 1658 1 2 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.486 0.149 25240 1659 1 2 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.318 -0.279 25240 1660 1 2 . 1 1 138 138 VAL H H 138 8.108 8.108 8.055 0.053 25240 1661 1 2 . 1 1 139 139 GLU N N 139 119.418 119.418 118.632 0.786 25240 1662 1 2 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.664 0.407 25240 1663 1 2 . 1 1 139 139 GLU C C 139 178.157 178.157 178.069 0.088 25240 1664 1 2 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.502 1.067 25240 1665 1 2 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.699 0.394 25240 1666 1 2 . 1 1 139 139 GLU H H 139 8.248 8.248 7.616 0.632 25240 1667 1 2 . 1 1 140 140 GLU N N 140 116.410 116.410 119.657 -3.247 25240 1668 1 2 . 1 1 140 140 GLU HA H 140 3.731 3.731 3.998 -0.267 25240 1669 1 2 . 1 1 140 140 GLU C C 140 179.202 179.202 178.623 0.579 25240 1670 1 2 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.653 0.771 25240 1671 1 2 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.124 -0.031 25240 1672 1 2 . 1 1 140 140 GLU H H 140 7.305 7.305 7.870 -0.565 25240 1673 1 2 . 1 1 141 141 LYS N N 141 118.210 118.210 119.124 -0.914 25240 1674 1 2 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.030 -0.100 25240 1675 1 2 . 1 1 141 141 LYS C C 141 179.607 179.607 178.568 1.039 25240 1676 1 2 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.762 -0.368 25240 1677 1 2 . 1 1 141 141 LYS CB C 141 32.183 32.183 31.850 0.333 25240 1678 1 2 . 1 1 141 141 LYS H H 141 7.292 7.292 7.403 -0.111 25240 1679 1 2 . 1 1 142 142 LEU N N 142 119.472 119.472 116.768 2.704 25240 1680 1 2 . 1 1 142 142 LEU HA H 142 3.680 3.680 3.139 0.541 25240 1681 1 2 . 1 1 142 142 LEU C C 142 178.663 178.663 177.890 0.773 25240 1682 1 2 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.197 0.167 25240 1683 1 2 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.523 -1.099 25240 1684 1 2 . 1 1 142 142 LEU H H 142 8.112 8.112 7.370 0.742 25240 1685 1 2 . 1 1 143 143 ARG N N 143 117.384 117.384 117.986 -0.602 25240 1686 1 2 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.187 -0.227 25240 1687 1 2 . 1 1 143 143 ARG C C 143 177.989 177.989 178.419 -0.430 25240 1688 1 2 . 1 1 143 143 ARG CA C 143 58.051 58.051 58.145 -0.094 25240 1689 1 2 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.817 0.878 25240 1690 1 2 . 1 1 143 143 ARG H H 143 7.832 7.832 8.189 -0.357 25240 1691 1 2 . 1 1 144 144 ALA N N 144 121.192 121.192 122.468 -1.276 25240 1692 1 2 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.241 -0.160 25240 1693 1 2 . 1 1 144 144 ALA C C 144 178.697 178.697 177.980 0.717 25240 1694 1 2 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.915 0.015 25240 1695 1 2 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.657 0.134 25240 1696 1 2 . 1 1 144 144 ALA H H 144 7.284 7.284 7.945 -0.661 25240 1697 1 2 . 1 1 145 145 THR N N 145 109.503 109.503 111.989 -2.486 25240 1698 1 2 . 1 1 145 145 THR HA H 145 4.270 4.270 4.501 -0.231 25240 1699 1 2 . 1 1 145 145 THR C C 145 174.787 174.787 173.844 0.943 25240 1700 1 2 . 1 1 145 145 THR CA C 145 61.828 61.828 63.067 -1.239 25240 1701 1 2 . 1 1 145 145 THR CB C 145 68.925 68.925 69.198 -0.273 25240 1702 1 2 . 1 1 145 145 THR H H 145 7.690 7.690 7.592 0.098 25240 1703 1 2 . 1 1 146 146 ASP N N 146 122.786 122.786 120.679 2.107 25240 1704 1 2 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.785 -0.241 25240 1705 1 2 . 1 1 146 146 ASP C C 146 176.000 176.000 174.635 1.365 25240 1706 1 2 . 1 1 146 146 ASP CA C 146 54.732 54.732 53.147 1.585 25240 1707 1 2 . 1 1 146 146 ASP CB C 146 41.111 41.111 43.998 -2.887 25240 1708 1 2 . 1 1 146 146 ASP H H 146 7.873 7.873 7.619 0.254 25240 1709 1 2 . 1 1 147 147 ARG N N 147 120.926 120.926 119.619 1.307 25240 1710 1 2 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.580 -0.310 25240 1711 1 2 . 1 1 147 147 ARG C C 147 175.427 175.427 174.872 0.555 25240 1712 1 2 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.618 0.487 25240 1713 1 2 . 1 1 147 147 ARG CB C 147 30.695 30.695 30.753 -0.058 25240 1714 1 2 . 1 1 147 147 ARG H H 147 8.048 8.048 8.459 -0.411 25240 1715 1 3 . 1 1 2 2 ALA N N 2 126.020 126.020 127.137 -1.117 25240 1716 1 3 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.262 -0.055 25240 1717 1 3 . 1 1 2 2 ALA C C 2 177.605 177.605 177.693 -0.088 25240 1718 1 3 . 1 1 2 2 ALA CA C 2 52.442 52.442 52.931 -0.489 25240 1719 1 3 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.978 0.157 25240 1720 1 3 . 1 1 2 2 ALA H H 2 8.306 8.306 8.721 -0.415 25240 1721 1 3 . 1 1 3 3 SER N N 3 115.214 115.214 110.963 4.251 25240 1722 1 3 . 1 1 3 3 SER HA H 3 4.282 4.282 4.144 0.138 25240 1723 1 3 . 1 1 3 3 SER C C 3 174.965 174.965 173.840 1.125 25240 1724 1 3 . 1 1 3 3 SER CA C 3 58.165 58.165 59.462 -1.296 25240 1725 1 3 . 1 1 3 3 SER CB C 3 64.003 64.003 62.470 1.533 25240 1726 1 3 . 1 1 3 3 SER H H 3 8.183 8.183 7.989 0.194 25240 1727 1 3 . 1 1 4 4 GLY N N 4 110.858 110.858 108.652 2.206 25240 1728 1 3 . 1 1 4 4 GLY C C 4 173.716 173.716 173.054 0.662 25240 1729 1 3 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.878 0.125 25240 1730 1 3 . 1 1 4 4 GLY H H 4 8.279 8.279 7.977 0.302 25240 1731 1 3 . 1 1 5 5 VAL N N 5 119.961 119.961 124.511 -4.550 25240 1732 1 3 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.498 -0.370 25240 1733 1 3 . 1 1 5 5 VAL C C 5 176.275 176.275 176.349 -0.074 25240 1734 1 3 . 1 1 5 5 VAL CA C 5 62.172 62.172 60.920 1.252 25240 1735 1 3 . 1 1 5 5 VAL CB C 5 32.641 32.641 33.036 -0.395 25240 1736 1 3 . 1 1 5 5 VAL H H 5 7.672 7.672 8.022 -0.350 25240 1737 1 3 . 1 1 6 6 THR N N 6 115.480 115.480 122.883 -7.403 25240 1738 1 3 . 1 1 6 6 THR HA H 6 4.487 4.487 4.487 -0.000 25240 1739 1 3 . 1 1 6 6 THR C C 6 173.252 173.252 173.103 0.149 25240 1740 1 3 . 1 1 6 6 THR CA C 6 59.882 59.882 61.696 -1.813 25240 1741 1 3 . 1 1 6 6 THR CB C 6 71.328 71.328 69.929 1.399 25240 1742 1 3 . 1 1 6 6 THR H H 6 7.756 7.756 8.526 -0.770 25240 1743 1 3 . 1 1 7 7 VAL N N 7 120.262 120.262 125.343 -5.081 25240 1744 1 3 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.187 -0.108 25240 1745 1 3 . 1 1 7 7 VAL C C 7 176.215 176.215 175.235 0.980 25240 1746 1 3 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.764 0.293 25240 1747 1 3 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.089 1.468 25240 1748 1 3 . 1 1 7 7 VAL H H 7 8.447 8.447 8.410 0.037 25240 1749 1 3 . 1 1 8 8 SER N N 8 124.247 124.247 123.022 1.225 25240 1750 1 3 . 1 1 8 8 SER HA H 8 4.271 4.271 4.504 -0.233 25240 1751 1 3 . 1 1 8 8 SER C C 8 175.892 175.892 175.828 0.064 25240 1752 1 3 . 1 1 8 8 SER CA C 8 58.738 58.738 58.109 0.629 25240 1753 1 3 . 1 1 8 8 SER CB C 8 64.003 64.003 64.708 -0.705 25240 1754 1 3 . 1 1 8 8 SER H H 8 8.816 8.816 7.991 0.825 25240 1755 1 3 . 1 1 9 9 ASP N N 9 125.176 125.176 124.679 0.497 25240 1756 1 3 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.409 -0.100 25240 1757 1 3 . 1 1 9 9 ASP C C 9 178.492 178.492 177.674 0.818 25240 1758 1 3 . 1 1 9 9 ASP CA C 9 57.937 57.937 57.350 0.587 25240 1759 1 3 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.505 -0.311 25240 1760 1 3 . 1 1 9 9 ASP H H 9 9.033 9.033 8.900 0.133 25240 1761 1 3 . 1 1 10 10 VAL N N 10 117.738 117.738 119.231 -1.493 25240 1762 1 3 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.885 0.209 25240 1763 1 3 . 1 1 10 10 VAL C C 10 179.439 179.439 178.121 1.318 25240 1764 1 3 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.547 -0.972 25240 1765 1 3 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.176 0.320 25240 1766 1 3 . 1 1 10 10 VAL H H 10 8.078 8.078 8.161 -0.083 25240 1767 1 3 . 1 1 11 11 CYS N N 11 121.775 121.775 119.088 2.687 25240 1768 1 3 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.361 -0.447 25240 1769 1 3 . 1 1 11 11 CYS C C 11 176.094 176.094 176.330 -0.236 25240 1770 1 3 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.119 1.655 25240 1771 1 3 . 1 1 11 11 CYS CB C 11 27.032 27.032 26.844 0.188 25240 1772 1 3 . 1 1 11 11 CYS H H 11 7.922 7.922 7.979 -0.057 25240 1773 1 3 . 1 1 12 12 LYS N N 12 117.392 117.392 120.855 -3.463 25240 1774 1 3 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.180 -0.266 25240 1775 1 3 . 1 1 12 12 LYS C C 12 179.097 179.097 178.537 0.560 25240 1776 1 3 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.083 -0.315 25240 1777 1 3 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.538 -0.584 25240 1778 1 3 . 1 1 12 12 LYS H H 12 7.010 7.010 7.595 -0.585 25240 1779 1 3 . 1 1 13 13 THR N N 13 114.683 114.683 112.632 2.051 25240 1780 1 3 . 1 1 13 13 THR HA H 13 3.951 3.951 4.447 -0.496 25240 1781 1 3 . 1 1 13 13 THR C C 13 177.424 177.424 176.909 0.515 25240 1782 1 3 . 1 1 13 13 THR CA C 13 66.063 66.063 65.725 0.338 25240 1783 1 3 . 1 1 13 13 THR CB C 13 67.666 67.666 68.128 -0.462 25240 1784 1 3 . 1 1 13 13 THR H H 13 8.309 8.309 8.265 0.044 25240 1785 1 3 . 1 1 14 14 THR N N 14 118.012 118.012 119.752 -1.740 25240 1786 1 3 . 1 1 14 14 THR HA H 14 4.015 4.015 4.081 -0.066 25240 1787 1 3 . 1 1 14 14 THR C C 14 176.316 176.316 176.171 0.145 25240 1788 1 3 . 1 1 14 14 THR CA C 14 67.208 67.208 66.778 0.430 25240 1789 1 3 . 1 1 14 14 THR CB C 14 62.515 62.515 68.742 -6.227 25240 1790 1 3 . 1 1 14 14 THR H H 14 8.138 8.138 7.562 0.576 25240 1791 1 3 . 1 1 15 15 TYR N N 15 120.840 120.840 120.546 0.294 25240 1792 1 3 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.226 -0.089 25240 1793 1 3 . 1 1 15 15 TYR C C 15 177.081 177.081 177.700 -0.619 25240 1794 1 3 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.760 -1.076 25240 1795 1 3 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.303 0.061 25240 1796 1 3 . 1 1 15 15 TYR H H 15 7.740 7.740 7.780 -0.040 25240 1797 1 3 . 1 1 16 16 GLU N N 16 120.605 120.605 119.392 1.213 25240 1798 1 3 . 1 1 16 16 GLU HA H 16 3.535 3.535 4.024 -0.489 25240 1799 1 3 . 1 1 16 16 GLU C C 16 178.673 178.673 178.917 -0.244 25240 1800 1 3 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.479 0.518 25240 1801 1 3 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.082 -0.334 25240 1802 1 3 . 1 1 16 16 GLU H H 16 8.182 8.182 8.227 -0.045 25240 1803 1 3 . 1 1 17 17 GLU N N 17 117.384 117.384 120.520 -3.136 25240 1804 1 3 . 1 1 17 17 GLU HA H 17 4.121 4.121 3.988 0.133 25240 1805 1 3 . 1 1 17 17 GLU C C 17 179.399 179.399 179.039 0.360 25240 1806 1 3 . 1 1 17 17 GLU CA C 17 58.852 58.852 59.136 -0.284 25240 1807 1 3 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.495 -0.059 25240 1808 1 3 . 1 1 17 17 GLU H H 17 7.839 7.839 8.118 -0.279 25240 1809 1 3 . 1 1 18 18 ILE N N 18 118.004 118.004 119.732 -1.728 25240 1810 1 3 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.891 -0.358 25240 1811 1 3 . 1 1 18 18 ILE C C 18 177.081 177.081 177.930 -0.849 25240 1812 1 3 . 1 1 18 18 ILE CA C 18 66.292 66.292 64.153 2.139 25240 1813 1 3 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.031 0.447 25240 1814 1 3 . 1 1 18 18 ILE H H 18 7.558 7.558 7.807 -0.249 25240 1815 1 3 . 1 1 19 19 LYS N N 19 121.213 121.213 118.822 2.391 25240 1816 1 3 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.212 -0.563 25240 1817 1 3 . 1 1 19 19 LYS C C 19 176.719 176.719 177.678 -0.959 25240 1818 1 3 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.966 0.115 25240 1819 1 3 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.794 0.419 25240 1820 1 3 . 1 1 19 19 LYS H H 19 8.387 8.387 7.916 0.471 25240 1821 1 3 . 1 1 20 20 LYS N N 20 115.307 115.307 118.395 -3.088 25240 1822 1 3 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.288 -0.167 25240 1823 1 3 . 1 1 20 20 LYS C C 20 178.008 178.008 177.978 0.030 25240 1824 1 3 . 1 1 20 20 LYS CA C 20 57.937 57.937 58.330 -0.392 25240 1825 1 3 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.355 -0.600 25240 1826 1 3 . 1 1 20 20 LYS H H 20 8.608 8.608 7.698 0.910 25240 1827 1 3 . 1 1 21 21 ASP N N 21 113.556 113.556 117.514 -3.958 25240 1828 1 3 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.675 -0.054 25240 1829 1 3 . 1 1 21 21 ASP C C 21 175.147 175.147 175.613 -0.466 25240 1830 1 3 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.743 0.989 25240 1831 1 3 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.694 1.018 25240 1832 1 3 . 1 1 21 21 ASP H H 21 6.395 6.395 8.027 -1.632 25240 1833 1 3 . 1 1 22 22 LYS N N 22 116.543 116.543 115.047 1.496 25240 1834 1 3 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.999 -0.218 25240 1835 1 3 . 1 1 22 22 LYS C C 22 176.900 176.900 176.274 0.626 25240 1836 1 3 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.873 -0.510 25240 1837 1 3 . 1 1 22 22 LYS CB C 22 28.864 28.864 29.995 -1.131 25240 1838 1 3 . 1 1 22 22 LYS H H 22 7.402 7.402 7.981 -0.579 25240 1839 1 3 . 1 1 23 23 LYS N N 23 114.417 114.417 117.348 -2.931 25240 1840 1 3 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.333 -0.779 25240 1841 1 3 . 1 1 23 23 LYS C C 23 175.106 175.106 175.534 -0.428 25240 1842 1 3 . 1 1 23 23 LYS CA C 23 58.623 58.623 56.345 2.278 25240 1843 1 3 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.329 1.686 25240 1844 1 3 . 1 1 23 23 LYS H H 23 7.512 7.512 8.150 -0.638 25240 1845 1 3 . 1 1 24 24 HIS N N 24 108.361 108.361 116.939 -8.578 25240 1846 1 3 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.777 -0.989 25240 1847 1 3 . 1 1 24 24 HIS C C 24 175.308 175.308 173.821 1.487 25240 1848 1 3 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.080 -3.782 25240 1849 1 3 . 1 1 24 24 HIS CB C 24 32.412 32.412 31.494 0.918 25240 1850 1 3 . 1 1 24 24 HIS H H 24 6.099 6.099 7.570 -1.471 25240 1851 1 3 . 1 1 25 25 ARG N N 25 120.707 120.707 123.400 -2.693 25240 1852 1 3 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.612 -0.504 25240 1853 1 3 . 1 1 25 25 ARG C C 25 173.091 173.091 175.007 -1.916 25240 1854 1 3 . 1 1 25 25 ARG CA C 25 55.189 55.189 57.042 -1.853 25240 1855 1 3 . 1 1 25 25 ARG CB C 25 30.581 30.581 33.778 -3.197 25240 1856 1 3 . 1 1 25 25 ARG H H 25 8.066 8.066 8.744 -0.678 25240 1857 1 3 . 1 1 26 26 TYR N N 26 106.634 106.634 117.762 -11.128 25240 1858 1 3 . 1 1 26 26 TYR HA H 26 5.066 5.066 4.405 0.661 25240 1859 1 3 . 1 1 26 26 TYR C C 26 172.224 172.224 172.912 -0.688 25240 1860 1 3 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.621 -0.889 25240 1861 1 3 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.861 0.250 25240 1862 1 3 . 1 1 26 26 TYR H H 26 6.515 6.515 8.125 -1.610 25240 1863 1 3 . 1 1 27 27 VAL N N 27 116.941 116.941 127.107 -10.166 25240 1864 1 3 . 1 1 27 27 VAL HA H 27 4.763 4.763 3.968 0.795 25240 1865 1 3 . 1 1 27 27 VAL C C 27 173.514 173.514 172.534 0.980 25240 1866 1 3 . 1 1 27 27 VAL CA C 27 59.310 59.310 59.279 0.031 25240 1867 1 3 . 1 1 27 27 VAL CB C 27 36.189 36.189 33.827 2.362 25240 1868 1 3 . 1 1 27 27 VAL H H 27 8.843 8.843 7.447 1.396 25240 1869 1 3 . 1 1 28 28 ILE N N 28 125.708 125.708 129.346 -3.638 25240 1870 1 3 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.034 1.007 25240 1871 1 3 . 1 1 28 28 ILE C C 28 175.590 175.590 174.407 1.183 25240 1872 1 3 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.416 -1.022 25240 1873 1 3 . 1 1 28 28 ILE CB C 28 38.135 38.135 37.954 0.181 25240 1874 1 3 . 1 1 28 28 ILE H H 28 8.915 8.915 8.622 0.293 25240 1875 1 3 . 1 1 29 29 PHE N N 29 125.649 125.649 127.286 -1.637 25240 1876 1 3 . 1 1 29 29 PHE HA H 29 5.860 5.860 4.977 0.883 25240 1877 1 3 . 1 1 29 29 PHE C C 29 173.958 173.958 174.979 -1.021 25240 1878 1 3 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.149 -0.158 25240 1879 1 3 . 1 1 29 29 PHE CB C 29 42.599 42.599 39.421 3.178 25240 1880 1 3 . 1 1 29 29 PHE H H 29 9.597 9.597 8.746 0.851 25240 1881 1 3 . 1 1 30 30 TYR N N 30 120.134 120.134 124.491 -4.357 25240 1882 1 3 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.698 0.685 25240 1883 1 3 . 1 1 30 30 TYR C C 30 176.840 176.840 173.722 3.118 25240 1884 1 3 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.401 -1.898 25240 1885 1 3 . 1 1 30 30 TYR CB C 30 42.027 42.027 41.782 0.245 25240 1886 1 3 . 1 1 30 30 TYR H H 30 9.556 9.556 8.811 0.745 25240 1887 1 3 . 1 1 31 31 ILE N N 31 118.577 118.577 128.213 -9.636 25240 1888 1 3 . 1 1 31 31 ILE HA H 31 4.081 4.081 3.999 0.082 25240 1889 1 3 . 1 1 31 31 ILE C C 31 174.562 174.562 174.978 -0.416 25240 1890 1 3 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.833 1.308 25240 1891 1 3 . 1 1 31 31 ILE CB C 31 37.105 37.105 37.611 -0.506 25240 1892 1 3 . 1 1 31 31 ILE H H 31 8.475 8.475 8.316 0.159 25240 1893 1 3 . 1 1 32 32 ARG N N 32 132.544 132.544 130.630 1.914 25240 1894 1 3 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.122 0.135 25240 1895 1 3 . 1 1 32 32 ARG C C 32 176.557 176.557 175.593 0.964 25240 1896 1 3 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.587 -2.283 25240 1897 1 3 . 1 1 32 32 ARG CB C 32 31.496 31.496 30.482 1.014 25240 1898 1 3 . 1 1 32 32 ARG H H 32 8.994 8.994 8.972 0.022 25240 1899 1 3 . 1 1 33 33 ASP N N 33 128.042 128.042 123.156 4.886 25240 1900 1 3 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.290 -0.033 25240 1901 1 3 . 1 1 33 33 ASP C C 33 173.615 173.615 175.429 -1.814 25240 1902 1 3 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.031 -0.155 25240 1903 1 3 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.128 -0.162 25240 1904 1 3 . 1 1 33 33 ASP H H 33 9.442 9.442 9.009 0.433 25240 1905 1 3 . 1 1 34 34 GLU N N 34 108.952 108.952 113.349 -4.397 25240 1906 1 3 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.767 0.766 25240 1907 1 3 . 1 1 34 34 GLU C C 34 174.844 174.844 175.197 -0.353 25240 1908 1 3 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.664 0.730 25240 1909 1 3 . 1 1 34 34 GLU CB C 34 27.605 27.605 27.835 -0.230 25240 1910 1 3 . 1 1 34 34 GLU H H 34 8.532 8.532 8.019 0.513 25240 1911 1 3 . 1 1 35 35 LYS N N 35 114.285 114.285 111.064 3.221 25240 1912 1 3 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.423 0.110 25240 1913 1 3 . 1 1 35 35 LYS C C 35 175.530 175.530 174.346 1.184 25240 1914 1 3 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.623 0.741 25240 1915 1 3 . 1 1 35 35 LYS CB C 35 36.533 36.533 34.985 1.548 25240 1916 1 3 . 1 1 35 35 LYS H H 35 7.911 7.911 8.041 -0.130 25240 1917 1 3 . 1 1 36 36 GLN N N 36 118.851 118.851 116.367 2.484 25240 1918 1 3 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.711 0.316 25240 1919 1 3 . 1 1 36 36 GLN C C 36 174.139 174.139 173.755 0.384 25240 1920 1 3 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.900 0.603 25240 1921 1 3 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.119 1.094 25240 1922 1 3 . 1 1 36 36 GLN H H 36 7.483 7.483 7.957 -0.474 25240 1923 1 3 . 1 1 37 37 ILE N N 37 127.682 127.682 119.202 8.480 25240 1924 1 3 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.114 0.181 25240 1925 1 3 . 1 1 37 37 ILE C C 37 173.333 173.333 175.076 -1.743 25240 1926 1 3 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.951 0.335 25240 1927 1 3 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.496 -0.475 25240 1928 1 3 . 1 1 37 37 ILE H H 37 9.208 9.208 8.825 0.383 25240 1929 1 3 . 1 1 38 38 ASP N N 38 128.702 128.702 126.099 2.603 25240 1930 1 3 . 1 1 38 38 ASP HA H 38 5.037 5.037 4.917 0.120 25240 1931 1 3 . 1 1 38 38 ASP C C 38 175.147 175.147 174.248 0.899 25240 1932 1 3 . 1 1 38 38 ASP CA C 38 51.870 51.870 53.050 -1.180 25240 1933 1 3 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.410 0.508 25240 1934 1 3 . 1 1 38 38 ASP H H 38 9.380 9.380 8.180 1.200 25240 1935 1 3 . 1 1 39 39 VAL N N 39 122.387 122.387 122.432 -0.045 25240 1936 1 3 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.642 -0.775 25240 1937 1 3 . 1 1 39 39 VAL C C 39 175.268 175.268 175.473 -0.205 25240 1938 1 3 . 1 1 39 39 VAL CA C 39 63.888 63.888 62.032 1.856 25240 1939 1 3 . 1 1 39 39 VAL CB C 39 33.671 33.671 34.573 -0.902 25240 1940 1 3 . 1 1 39 39 VAL H H 39 8.769 8.769 8.679 0.090 25240 1941 1 3 . 1 1 40 40 GLU N N 40 128.576 128.576 126.601 1.975 25240 1942 1 3 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.522 -0.255 25240 1943 1 3 . 1 1 40 40 GLU C C 40 175.711 175.711 176.218 -0.507 25240 1944 1 3 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.501 1.207 25240 1945 1 3 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.546 1.209 25240 1946 1 3 . 1 1 40 40 GLU H H 40 9.512 9.512 8.691 0.821 25240 1947 1 3 . 1 1 41 41 THR N N 41 111.962 111.962 118.111 -6.149 25240 1948 1 3 . 1 1 41 41 THR HA H 41 4.423 4.423 4.583 -0.160 25240 1949 1 3 . 1 1 41 41 THR C C 41 171.559 171.559 172.214 -0.655 25240 1950 1 3 . 1 1 41 41 THR CA C 41 61.256 61.256 61.802 -0.546 25240 1951 1 3 . 1 1 41 41 THR CB C 41 71.901 71.901 70.426 1.475 25240 1952 1 3 . 1 1 41 41 THR H H 41 7.277 7.277 7.597 -0.320 25240 1953 1 3 . 1 1 42 42 VAL N N 42 123.660 123.660 121.192 2.468 25240 1954 1 3 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.743 -0.500 25240 1955 1 3 . 1 1 42 42 VAL C C 42 173.877 173.877 173.956 -0.079 25240 1956 1 3 . 1 1 42 42 VAL CA C 42 60.684 60.684 58.558 2.126 25240 1957 1 3 . 1 1 42 42 VAL CB C 42 34.015 34.015 33.877 0.138 25240 1958 1 3 . 1 1 42 42 VAL H H 42 8.264 8.264 8.407 -0.143 25240 1959 1 3 . 1 1 43 43 ALA N N 43 126.970 126.970 128.846 -1.876 25240 1960 1 3 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.848 -0.412 25240 1961 1 3 . 1 1 43 43 ALA C C 43 176.759 176.759 175.951 0.808 25240 1962 1 3 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.223 -0.070 25240 1963 1 3 . 1 1 43 43 ALA CB C 43 20.737 20.737 22.139 -1.402 25240 1964 1 3 . 1 1 43 43 ALA H H 43 7.420 7.420 8.874 -1.454 25240 1965 1 3 . 1 1 44 44 ASP N N 44 120.831 120.831 123.499 -2.668 25240 1966 1 3 . 1 1 44 44 ASP HA H 44 4.575 4.575 4.914 -0.339 25240 1967 1 3 . 1 1 44 44 ASP C C 44 175.771 175.771 177.275 -1.504 25240 1968 1 3 . 1 1 44 44 ASP CA C 44 54.159 54.159 53.067 1.092 25240 1969 1 3 . 1 1 44 44 ASP CB C 44 41.798 41.798 43.270 -1.472 25240 1970 1 3 . 1 1 44 44 ASP H H 44 8.285 8.285 8.657 -0.372 25240 1971 1 3 . 1 1 45 45 ARG N N 45 118.015 118.015 117.141 0.874 25240 1972 1 3 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.269 -0.709 25240 1973 1 3 . 1 1 45 45 ARG C C 45 175.764 175.764 176.932 -1.168 25240 1974 1 3 . 1 1 45 45 ARG CA C 45 56.792 56.792 57.758 -0.966 25240 1975 1 3 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.734 0.274 25240 1976 1 3 . 1 1 45 45 ARG H H 45 8.020 8.020 8.665 -0.645 25240 1977 1 3 . 1 1 46 46 ASN N N 46 113.620 113.620 118.536 -4.916 25240 1978 1 3 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.532 0.122 25240 1979 1 3 . 1 1 46 46 ASN C C 46 175.090 175.090 175.372 -0.282 25240 1980 1 3 . 1 1 46 46 ASN CA C 46 52.900 52.900 55.094 -2.194 25240 1981 1 3 . 1 1 46 46 ASN CB C 46 37.792 37.792 39.144 -1.352 25240 1982 1 3 . 1 1 46 46 ASN H H 46 8.184 8.184 8.851 -0.667 25240 1983 1 3 . 1 1 47 47 ALA N N 47 124.076 124.076 122.520 1.556 25240 1984 1 3 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.494 -0.287 25240 1985 1 3 . 1 1 47 47 ALA C C 47 176.472 176.472 175.917 0.555 25240 1986 1 3 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.044 1.971 25240 1987 1 3 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.409 0.557 25240 1988 1 3 . 1 1 47 47 ALA H H 47 7.515 7.515 7.335 0.180 25240 1989 1 3 . 1 1 48 48 GLU N N 48 117.871 117.871 120.884 -3.013 25240 1990 1 3 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.268 0.510 25240 1991 1 3 . 1 1 48 48 GLU C C 48 178.259 178.259 176.618 1.641 25240 1992 1 3 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.059 0.673 25240 1993 1 3 . 1 1 48 48 GLU CB C 48 32.755 32.755 31.315 1.440 25240 1994 1 3 . 1 1 48 48 GLU H H 48 8.327 8.327 8.400 -0.073 25240 1995 1 3 . 1 1 49 49 TYR N N 49 122.704 122.704 118.810 3.894 25240 1996 1 3 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.609 -0.774 25240 1997 1 3 . 1 1 49 49 TYR C C 49 176.809 176.809 177.816 -1.007 25240 1998 1 3 . 1 1 49 49 TYR CA C 49 62.744 62.744 62.154 0.590 25240 1999 1 3 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.839 0.411 25240 2000 1 3 . 1 1 49 49 TYR H H 49 9.164 9.164 8.537 0.627 25240 2001 1 3 . 1 1 50 50 ASP N N 50 114.152 114.152 118.440 -4.288 25240 2002 1 3 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.331 -0.194 25240 2003 1 3 . 1 1 50 50 ASP C C 50 178.832 178.832 178.566 0.266 25240 2004 1 3 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.202 -0.838 25240 2005 1 3 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.279 -0.542 25240 2006 1 3 . 1 1 50 50 ASP H H 50 8.516 8.516 8.747 -0.231 25240 2007 1 3 . 1 1 51 51 GLN N N 51 120.262 120.262 119.048 1.214 25240 2008 1 3 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.105 -0.193 25240 2009 1 3 . 1 1 51 51 GLN C C 51 177.180 177.180 178.559 -1.379 25240 2010 1 3 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.240 0.612 25240 2011 1 3 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.714 0.150 25240 2012 1 3 . 1 1 51 51 GLN H H 51 7.290 7.290 7.431 -0.141 25240 2013 1 3 . 1 1 52 52 PHE N N 52 121.864 121.864 120.126 1.738 25240 2014 1 3 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.235 -0.988 25240 2015 1 3 . 1 1 52 52 PHE C C 52 175.697 175.697 177.955 -2.258 25240 2016 1 3 . 1 1 52 52 PHE CA C 52 60.569 60.569 61.632 -1.063 25240 2017 1 3 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.457 0.136 25240 2018 1 3 . 1 1 52 52 PHE H H 52 6.926 6.926 7.729 -0.803 25240 2019 1 3 . 1 1 53 53 LEU N N 53 116.512 116.512 118.200 -1.688 25240 2020 1 3 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.988 -0.795 25240 2021 1 3 . 1 1 53 53 LEU C C 53 179.877 179.877 179.051 0.826 25240 2022 1 3 . 1 1 53 53 LEU CA C 53 56.449 56.449 57.621 -1.172 25240 2023 1 3 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.467 -0.127 25240 2024 1 3 . 1 1 53 53 LEU H H 53 7.382 7.382 7.762 -0.380 25240 2025 1 3 . 1 1 54 54 GLU N N 54 119.308 119.308 119.550 -0.242 25240 2026 1 3 . 1 1 54 54 GLU HA H 54 3.658 3.658 4.007 -0.349 25240 2027 1 3 . 1 1 54 54 GLU C C 54 179.371 179.371 178.832 0.539 25240 2028 1 3 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.557 -0.313 25240 2029 1 3 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.147 -0.169 25240 2030 1 3 . 1 1 54 54 GLU H H 54 7.275 7.275 7.978 -0.703 25240 2031 1 3 . 1 1 55 55 ASP N N 55 119.986 119.986 119.109 0.877 25240 2032 1 3 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.518 -0.205 25240 2033 1 3 . 1 1 55 55 ASP C C 55 179.573 179.573 178.849 0.724 25240 2034 1 3 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.174 0.190 25240 2035 1 3 . 1 1 55 55 ASP CB C 55 40.195 40.195 41.098 -0.903 25240 2036 1 3 . 1 1 55 55 ASP H H 55 8.354 8.354 7.999 0.355 25240 2037 1 3 . 1 1 56 56 ILE N N 56 121.615 121.615 119.577 2.038 25240 2038 1 3 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.959 -0.486 25240 2039 1 3 . 1 1 56 56 ILE C C 56 173.674 173.674 178.145 -4.471 25240 2040 1 3 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.261 1.200 25240 2041 1 3 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.469 -0.707 25240 2042 1 3 . 1 1 56 56 ILE H H 56 8.093 8.093 7.575 0.518 25240 2043 1 3 . 1 1 57 57 GLN N N 57 113.032 113.032 118.681 -5.649 25240 2044 1 3 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.218 -0.072 25240 2045 1 3 . 1 1 57 57 GLN C C 57 178.899 178.899 177.354 1.545 25240 2046 1 3 . 1 1 57 57 GLN CA C 57 55.991 55.991 58.270 -2.279 25240 2047 1 3 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.863 3.091 25240 2048 1 3 . 1 1 57 57 GLN H H 57 6.377 6.377 8.302 -1.925 25240 2049 1 3 . 1 1 58 58 LYS N N 58 122.152 122.152 116.962 5.190 25240 2050 1 3 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.330 -0.488 25240 2051 1 3 . 1 1 58 58 LYS C C 58 176.674 176.674 176.810 -0.136 25240 2052 1 3 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.177 2.247 25240 2053 1 3 . 1 1 58 58 LYS CB C 58 32.069 32.069 31.979 0.090 25240 2054 1 3 . 1 1 58 58 LYS H H 58 7.280 7.280 7.980 -0.700 25240 2055 1 3 . 1 1 59 59 CYS N N 59 116.543 116.543 119.669 -3.126 25240 2056 1 3 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.565 -0.419 25240 2057 1 3 . 1 1 59 59 CYS C C 59 175.056 175.056 175.187 -0.131 25240 2058 1 3 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.286 -0.663 25240 2059 1 3 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.672 -2.754 25240 2060 1 3 . 1 1 59 59 CYS H H 59 7.784 7.784 7.723 0.061 25240 2061 1 3 . 1 1 60 60 GLY N N 60 109.550 109.550 107.500 2.050 25240 2062 1 3 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.797 -2.478 25240 2063 1 3 . 1 1 60 60 GLY H H 60 7.542 7.542 7.728 -0.185 25240 2064 1 3 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.646 -0.418 25240 2065 1 3 . 1 1 61 61 PRO C C 61 177.079 177.079 177.263 -0.184 25240 2066 1 3 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.712 0.405 25240 2067 1 3 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.722 -1.226 25240 2068 1 3 . 1 1 62 62 GLY N N 62 106.490 106.490 105.885 0.605 25240 2069 1 3 . 1 1 62 62 GLY C C 62 174.011 174.011 172.854 1.157 25240 2070 1 3 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.502 0.616 25240 2071 1 3 . 1 1 62 62 GLY H H 62 8.479 8.479 8.133 0.346 25240 2072 1 3 . 1 1 63 63 GLU N N 63 119.465 119.465 115.752 3.713 25240 2073 1 3 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.359 -0.061 25240 2074 1 3 . 1 1 63 63 GLU C C 63 173.775 173.775 173.925 -0.150 25240 2075 1 3 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.327 0.634 25240 2076 1 3 . 1 1 63 63 GLU CB C 63 33.557 33.557 31.844 1.713 25240 2077 1 3 . 1 1 63 63 GLU H H 63 7.001 7.001 7.318 -0.317 25240 2078 1 3 . 1 1 64 64 CYS N N 64 111.402 111.402 121.034 -9.632 25240 2079 1 3 . 1 1 64 64 CYS HA H 64 4.509 4.509 4.528 -0.019 25240 2080 1 3 . 1 1 64 64 CYS C C 64 173.371 173.371 173.661 -0.290 25240 2081 1 3 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.360 -0.713 25240 2082 1 3 . 1 1 64 64 CYS CB C 64 31.267 31.267 30.641 0.626 25240 2083 1 3 . 1 1 64 64 CYS H H 64 6.622 6.622 7.808 -1.186 25240 2084 1 3 . 1 1 65 65 ARG N N 65 117.835 117.835 119.096 -1.261 25240 2085 1 3 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.798 -0.124 25240 2086 1 3 . 1 1 65 65 ARG C C 65 174.820 174.820 175.431 -0.611 25240 2087 1 3 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.731 -1.144 25240 2088 1 3 . 1 1 65 65 ARG CB C 65 39.737 39.737 31.801 7.936 25240 2089 1 3 . 1 1 65 65 ARG H H 65 8.621 8.621 8.303 0.318 25240 2090 1 3 . 1 1 66 66 TYR N N 66 114.314 114.314 118.727 -4.413 25240 2091 1 3 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.552 0.523 25240 2092 1 3 . 1 1 66 66 TYR C C 66 176.068 176.068 174.579 1.489 25240 2093 1 3 . 1 1 66 66 TYR CA C 66 54.846 54.846 55.439 -0.593 25240 2094 1 3 . 1 1 66 66 TYR CB C 66 41.798 41.798 41.441 0.357 25240 2095 1 3 . 1 1 66 66 TYR H H 66 8.256 8.256 7.695 0.561 25240 2096 1 3 . 1 1 67 67 GLY N N 67 107.717 107.717 104.626 3.091 25240 2097 1 3 . 1 1 67 67 GLY C C 67 170.135 170.135 171.662 -1.527 25240 2098 1 3 . 1 1 67 67 GLY CA C 67 45.575 45.575 45.180 0.395 25240 2099 1 3 . 1 1 67 67 GLY H H 67 9.831 9.831 8.811 1.020 25240 2100 1 3 . 1 1 68 68 LEU N N 68 127.494 127.494 120.768 6.726 25240 2101 1 3 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.134 0.360 25240 2102 1 3 . 1 1 68 68 LEU C C 68 173.674 173.674 174.672 -0.998 25240 2103 1 3 . 1 1 68 68 LEU CA C 68 53.324 53.324 54.266 -0.942 25240 2104 1 3 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.145 3.032 25240 2105 1 3 . 1 1 68 68 LEU H H 68 9.391 9.391 8.313 1.077 25240 2106 1 3 . 1 1 69 69 PHE N N 69 126.775 126.775 128.358 -1.583 25240 2107 1 3 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.394 -0.891 25240 2108 1 3 . 1 1 69 69 PHE C C 69 172.629 172.629 174.094 -1.465 25240 2109 1 3 . 1 1 69 69 PHE CA C 69 56.334 56.334 55.413 0.920 25240 2110 1 3 . 1 1 69 69 PHE CB C 69 43.744 43.744 41.043 2.701 25240 2111 1 3 . 1 1 69 69 PHE H H 69 8.017 8.017 9.587 -1.570 25240 2112 1 3 . 1 1 70 70 ASP N N 70 126.639 126.639 129.161 -2.522 25240 2113 1 3 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.415 -0.624 25240 2114 1 3 . 1 1 70 70 ASP C C 70 172.764 172.764 174.856 -2.092 25240 2115 1 3 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.184 0.945 25240 2116 1 3 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.413 -1.760 25240 2117 1 3 . 1 1 70 70 ASP H H 70 7.087 7.087 8.412 -1.325 25240 2118 1 3 . 1 1 71 71 PHE N N 71 129.107 129.107 121.047 8.060 25240 2119 1 3 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.259 -0.563 25240 2120 1 3 . 1 1 71 71 PHE C C 71 174.315 174.315 173.719 0.596 25240 2121 1 3 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.921 2.931 25240 2122 1 3 . 1 1 71 71 PHE CB C 71 42.713 42.713 42.099 0.614 25240 2123 1 3 . 1 1 71 71 PHE H H 71 8.656 8.656 7.570 1.086 25240 2124 1 3 . 1 1 72 72 GLU N N 72 126.483 126.483 119.508 6.975 25240 2125 1 3 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.536 0.615 25240 2126 1 3 . 1 1 72 72 GLU C C 72 175.090 175.090 174.668 0.422 25240 2127 1 3 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.876 -1.144 25240 2128 1 3 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.890 1.950 25240 2129 1 3 . 1 1 72 72 GLU H H 72 8.134 8.134 8.799 -0.665 25240 2130 1 3 . 1 1 73 73 TYR N N 73 120.527 120.527 124.943 -4.416 25240 2131 1 3 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.888 -0.213 25240 2132 1 3 . 1 1 73 73 TYR C C 73 172.966 172.966 174.092 -1.126 25240 2133 1 3 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.738 -1.747 25240 2134 1 3 . 1 1 73 73 TYR CB C 73 39.509 39.509 42.755 -3.246 25240 2135 1 3 . 1 1 73 73 TYR H H 73 8.504 8.504 8.976 -0.472 25240 2136 1 3 . 1 1 74 74 MET N N 74 118.604 118.604 123.470 -4.866 25240 2137 1 3 . 1 1 74 74 MET HA H 74 4.729 4.729 5.200 -0.471 25240 2138 1 3 . 1 1 74 74 MET C C 74 176.000 176.000 174.429 1.571 25240 2139 1 3 . 1 1 74 74 MET CA C 74 53.930 53.930 54.373 -0.444 25240 2140 1 3 . 1 1 74 74 MET CB C 74 32.412 32.412 34.831 -2.419 25240 2141 1 3 . 1 1 74 74 MET H H 74 8.752 8.752 8.106 0.646 25240 2142 1 3 . 1 1 75 75 HIS N N 75 123.810 123.810 121.777 2.033 25240 2143 1 3 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.941 -0.266 25240 2144 1 3 . 1 1 75 75 HIS C C 75 174.112 174.112 173.989 0.123 25240 2145 1 3 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.489 0.273 25240 2146 1 3 . 1 1 75 75 HIS CB C 75 32.755 32.755 33.159 -0.404 25240 2147 1 3 . 1 1 75 75 HIS H H 75 8.902 8.902 8.271 0.631 25240 2148 1 3 . 1 1 76 76 GLN N N 76 125.324 125.324 122.092 3.232 25240 2149 1 3 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.569 -0.273 25240 2150 1 3 . 1 1 76 76 GLN C C 76 175.056 175.056 174.834 0.222 25240 2151 1 3 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.054 0.135 25240 2152 1 3 . 1 1 76 76 GLN CB C 76 29.551 29.551 29.104 0.447 25240 2153 1 3 . 1 1 76 76 GLN H H 76 8.292 8.292 8.696 -0.404 25240 2154 1 3 . 1 1 77 77 CYS N N 77 123.013 123.013 124.226 -1.213 25240 2155 1 3 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.430 -0.134 25240 2156 1 3 . 1 1 77 77 CYS C C 77 174.719 174.719 175.001 -0.282 25240 2157 1 3 . 1 1 77 77 CYS CA C 77 58.738 58.738 59.102 -0.364 25240 2158 1 3 . 1 1 77 77 CYS CB C 77 27.948 27.948 29.386 -1.438 25240 2159 1 3 . 1 1 77 77 CYS H H 77 8.420 8.420 8.658 -0.238 25240 2160 1 3 . 1 1 78 78 GLN N N 78 123.960 123.960 121.018 2.942 25240 2161 1 3 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.903 0.197 25240 2162 1 3 . 1 1 78 78 GLN C C 78 176.910 176.910 175.965 0.945 25240 2163 1 3 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.150 -0.129 25240 2164 1 3 . 1 1 78 78 GLN CB C 78 28.635 28.635 27.192 1.443 25240 2165 1 3 . 1 1 78 78 GLN H H 78 8.658 8.658 9.136 -0.478 25240 2166 1 3 . 1 1 79 79 GLY N N 79 111.173 111.173 105.309 5.864 25240 2167 1 3 . 1 1 79 79 GLY C C 79 174.315 174.315 174.590 -0.275 25240 2168 1 3 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.360 0.100 25240 2169 1 3 . 1 1 79 79 GLY H H 79 8.636 8.636 8.384 0.252 25240 2170 1 3 . 1 1 80 80 THR N N 80 111.761 111.761 116.831 -5.070 25240 2171 1 3 . 1 1 80 80 THR HA H 80 4.483 4.483 4.474 0.009 25240 2172 1 3 . 1 1 80 80 THR C C 80 174.483 174.483 174.421 0.062 25240 2173 1 3 . 1 1 80 80 THR CA C 80 60.912 60.912 61.239 -0.327 25240 2174 1 3 . 1 1 80 80 THR CB C 80 70.413 70.413 70.134 0.279 25240 2175 1 3 . 1 1 80 80 THR H H 80 7.730 7.730 7.727 0.003 25240 2176 1 3 . 1 1 81 81 SER N N 81 116.277 116.277 121.538 -5.261 25240 2177 1 3 . 1 1 81 81 SER HA H 81 3.810 3.810 4.497 -0.687 25240 2178 1 3 . 1 1 81 81 SER C C 81 174.517 174.517 175.237 -0.720 25240 2179 1 3 . 1 1 81 81 SER CA C 81 58.738 58.738 58.833 -0.095 25240 2180 1 3 . 1 1 81 81 SER CB C 81 63.545 63.545 62.101 1.444 25240 2181 1 3 . 1 1 81 81 SER H H 81 8.312 8.312 8.847 -0.535 25240 2182 1 3 . 1 1 82 82 GLU N N 82 121.911 121.911 125.898 -3.987 25240 2183 1 3 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.288 -0.039 25240 2184 1 3 . 1 1 82 82 GLU C C 82 176.202 176.202 176.397 -0.195 25240 2185 1 3 . 1 1 82 82 GLU CA C 82 56.449 56.449 57.319 -0.870 25240 2186 1 3 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.985 0.709 25240 2187 1 3 . 1 1 82 82 GLU H H 82 8.058 8.058 8.565 -0.507 25240 2188 1 3 . 1 1 83 83 SER N N 83 117.340 117.340 112.039 5.301 25240 2189 1 3 . 1 1 83 83 SER HA H 83 4.292 4.292 4.092 0.200 25240 2190 1 3 . 1 1 83 83 SER C C 83 174.146 174.146 173.325 0.821 25240 2191 1 3 . 1 1 83 83 SER CA C 83 58.165 58.165 58.937 -0.771 25240 2192 1 3 . 1 1 83 83 SER CB C 83 64.461 64.461 62.422 2.039 25240 2193 1 3 . 1 1 83 83 SER H H 83 8.355 8.355 8.506 -0.151 25240 2194 1 3 . 1 1 84 84 SER N N 84 117.340 117.340 116.494 0.846 25240 2195 1 3 . 1 1 84 84 SER HA H 84 4.734 4.734 4.292 0.442 25240 2196 1 3 . 1 1 84 84 SER C C 84 173.236 173.236 174.608 -1.372 25240 2197 1 3 . 1 1 84 84 SER CA C 84 57.708 57.708 59.366 -1.658 25240 2198 1 3 . 1 1 84 84 SER CB C 84 64.919 64.919 63.217 1.702 25240 2199 1 3 . 1 1 84 84 SER H H 84 8.435 8.435 7.732 0.703 25240 2200 1 3 . 1 1 85 85 LYS N N 85 123.283 123.283 127.842 -4.559 25240 2201 1 3 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.315 0.140 25240 2202 1 3 . 1 1 85 85 LYS C C 85 176.236 176.236 175.715 0.521 25240 2203 1 3 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.507 0.170 25240 2204 1 3 . 1 1 85 85 LYS CB C 85 32.755 32.755 32.407 0.348 25240 2205 1 3 . 1 1 85 85 LYS H H 85 8.274 8.274 8.494 -0.220 25240 2206 1 3 . 1 1 86 86 LYS N N 86 125.176 125.176 127.113 -1.937 25240 2207 1 3 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.555 -0.250 25240 2208 1 3 . 1 1 86 86 LYS C C 86 174.753 174.753 175.410 -0.657 25240 2209 1 3 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.391 -0.003 25240 2210 1 3 . 1 1 86 86 LYS CB C 86 34.358 34.358 34.589 -0.231 25240 2211 1 3 . 1 1 86 86 LYS H H 86 8.590 8.590 8.398 0.192 25240 2212 1 3 . 1 1 87 87 GLN N N 87 118.903 118.903 123.914 -5.011 25240 2213 1 3 . 1 1 87 87 GLN HA H 87 5.169 5.169 5.079 0.090 25240 2214 1 3 . 1 1 87 87 GLN C C 87 175.562 175.562 175.252 0.310 25240 2215 1 3 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.071 -0.454 25240 2216 1 3 . 1 1 87 87 GLN CB C 87 30.695 30.695 29.949 0.746 25240 2217 1 3 . 1 1 87 87 GLN H H 87 7.946 7.946 8.691 -0.745 25240 2218 1 3 . 1 1 88 88 LYS N N 88 124.114 124.114 125.624 -1.510 25240 2219 1 3 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.455 0.183 25240 2220 1 3 . 1 1 88 88 LYS C C 88 174.449 174.449 174.807 -0.358 25240 2221 1 3 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.687 0.731 25240 2222 1 3 . 1 1 88 88 LYS CB C 88 36.876 36.876 35.510 1.366 25240 2223 1 3 . 1 1 88 88 LYS H H 88 9.258 9.258 8.261 0.997 25240 2224 1 3 . 1 1 89 89 LEU N N 89 123.968 123.968 123.748 0.220 25240 2225 1 3 . 1 1 89 89 LEU HA H 89 5.120 5.120 4.730 0.390 25240 2226 1 3 . 1 1 89 89 LEU C C 89 176.843 176.843 176.061 0.782 25240 2227 1 3 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.935 -0.318 25240 2228 1 3 . 1 1 89 89 LEU CB C 89 43.972 43.972 41.580 2.392 25240 2229 1 3 . 1 1 89 89 LEU H H 89 8.318 8.318 8.514 -0.196 25240 2230 1 3 . 1 1 90 90 PHE N N 90 118.366 118.366 123.291 -4.925 25240 2231 1 3 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.347 0.100 25240 2232 1 3 . 1 1 90 90 PHE C C 90 171.786 171.786 174.937 -3.151 25240 2233 1 3 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.733 -1.544 25240 2234 1 3 . 1 1 90 90 PHE CB C 90 43.286 43.286 41.510 1.776 25240 2235 1 3 . 1 1 90 90 PHE H H 90 8.465 8.465 9.520 -1.055 25240 2236 1 3 . 1 1 91 91 LEU N N 91 121.719 121.719 125.670 -3.951 25240 2237 1 3 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.053 0.452 25240 2238 1 3 . 1 1 91 91 LEU C C 91 174.449 174.449 175.444 -0.995 25240 2239 1 3 . 1 1 91 91 LEU CA C 91 52.900 52.900 54.047 -1.147 25240 2240 1 3 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.397 1.780 25240 2241 1 3 . 1 1 91 91 LEU H H 91 8.437 8.437 9.562 -1.125 25240 2242 1 3 . 1 1 92 92 MET N N 92 126.389 126.389 123.266 3.123 25240 2243 1 3 . 1 1 92 92 MET HA H 92 6.176 6.176 5.720 0.456 25240 2244 1 3 . 1 1 92 92 MET C C 92 176.169 176.169 174.864 1.305 25240 2245 1 3 . 1 1 92 92 MET CA C 92 53.015 53.015 54.407 -1.392 25240 2246 1 3 . 1 1 92 92 MET CB C 92 39.623 39.623 36.241 3.382 25240 2247 1 3 . 1 1 92 92 MET H H 92 10.273 10.273 8.979 1.294 25240 2248 1 3 . 1 1 93 93 SER N N 93 120.841 120.841 118.437 2.404 25240 2249 1 3 . 1 1 93 93 SER HA H 93 4.885 4.885 5.098 -0.213 25240 2250 1 3 . 1 1 93 93 SER C C 93 172.225 172.225 174.080 -1.855 25240 2251 1 3 . 1 1 93 93 SER CA C 93 56.563 56.563 57.316 -0.753 25240 2252 1 3 . 1 1 93 93 SER CB C 93 63.545 63.545 63.941 -0.396 25240 2253 1 3 . 1 1 93 93 SER H H 93 9.038 9.038 8.773 0.265 25240 2254 1 3 . 1 1 94 94 TRP N N 94 129.918 129.918 131.602 -1.684 25240 2255 1 3 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.111 0.036 25240 2256 1 3 . 1 1 94 94 TRP C C 94 173.270 173.270 175.046 -1.776 25240 2257 1 3 . 1 1 94 94 TRP CA C 94 54.961 54.961 56.069 -1.108 25240 2258 1 3 . 1 1 94 94 TRP CB C 94 30.695 30.695 30.139 0.556 25240 2259 1 3 . 1 1 94 94 TRP H H 94 9.001 9.001 8.494 0.507 25240 2260 1 3 . 1 1 95 95 CYS N N 95 122.538 122.538 127.516 -4.978 25240 2261 1 3 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.415 0.406 25240 2262 1 3 . 1 1 95 95 CYS CA C 95 53.813 53.813 56.795 -2.982 25240 2263 1 3 . 1 1 95 95 CYS H H 95 7.319 7.319 9.176 -1.857 25240 2264 1 3 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.465 -0.646 25240 2265 1 3 . 1 1 96 96 PRO C C 96 177.888 177.888 176.456 1.432 25240 2266 1 3 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.436 -1.608 25240 2267 1 3 . 1 1 96 96 PRO CB C 96 31.840 31.840 32.161 -0.321 25240 2268 1 3 . 1 1 97 97 ASP N N 97 118.960 118.960 121.346 -2.386 25240 2269 1 3 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.386 -0.328 25240 2270 1 3 . 1 1 97 97 ASP C C 97 176.809 176.809 177.113 -0.304 25240 2271 1 3 . 1 1 97 97 ASP CA C 97 56.906 56.906 57.365 -0.459 25240 2272 1 3 . 1 1 97 97 ASP CB C 97 40.882 40.882 41.165 -0.283 25240 2273 1 3 . 1 1 97 97 ASP H H 97 8.040 8.040 8.678 -0.638 25240 2274 1 3 . 1 1 98 98 THR N N 98 104.267 104.267 109.089 -4.822 25240 2275 1 3 . 1 1 98 98 THR HA H 98 3.856 3.856 4.424 -0.568 25240 2276 1 3 . 1 1 98 98 THR C C 98 174.921 174.921 174.544 0.377 25240 2277 1 3 . 1 1 98 98 THR CA C 98 61.599 61.599 62.038 -0.439 25240 2278 1 3 . 1 1 98 98 THR CB C 98 68.925 68.925 68.567 0.358 25240 2279 1 3 . 1 1 98 98 THR H H 98 6.917 6.917 7.914 -0.997 25240 2280 1 3 . 1 1 99 99 ALA N N 99 125.807 125.807 125.016 0.791 25240 2281 1 3 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.333 -0.317 25240 2282 1 3 . 1 1 99 99 ALA C C 99 177.045 177.045 177.407 -0.362 25240 2283 1 3 . 1 1 99 99 ALA CA C 99 52.099 52.099 52.894 -0.795 25240 2284 1 3 . 1 1 99 99 ALA CB C 99 19.020 19.020 19.525 -0.505 25240 2285 1 3 . 1 1 99 99 ALA H H 99 7.496 7.496 7.651 -0.155 25240 2286 1 3 . 1 1 100 100 LYS N N 100 119.465 119.465 120.926 -1.461 25240 2287 1 3 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.502 -0.417 25240 2288 1 3 . 1 1 100 100 LYS C C 100 178.832 178.832 177.253 1.579 25240 2289 1 3 . 1 1 100 100 LYS CA C 100 56.334 56.334 54.848 1.486 25240 2290 1 3 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.059 0.468 25240 2291 1 3 . 1 1 100 100 LYS H H 100 8.271 8.271 8.143 0.128 25240 2292 1 3 . 1 1 101 101 VAL N N 101 123.351 123.351 124.397 -1.046 25240 2293 1 3 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.810 -0.413 25240 2294 1 3 . 1 1 101 101 VAL C C 101 177.584 177.584 177.063 0.521 25240 2295 1 3 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.496 1.483 25240 2296 1 3 . 1 1 101 101 VAL CB C 101 31.496 31.496 32.087 -0.591 25240 2297 1 3 . 1 1 101 101 VAL H H 101 8.518 8.518 8.440 0.078 25240 2298 1 3 . 1 1 102 102 LYS N N 102 118.249 118.249 119.420 -1.171 25240 2299 1 3 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.179 -0.248 25240 2300 1 3 . 1 1 102 102 LYS C C 102 179.540 179.540 178.179 1.361 25240 2301 1 3 . 1 1 102 102 LYS CA C 102 59.882 59.882 57.889 1.993 25240 2302 1 3 . 1 1 102 102 LYS CB C 102 32.298 32.298 32.019 0.279 25240 2303 1 3 . 1 1 102 102 LYS H H 102 8.558 8.558 8.087 0.471 25240 2304 1 3 . 1 1 103 103 LYS N N 103 118.668 118.668 118.962 -0.294 25240 2305 1 3 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.112 0.006 25240 2306 1 3 . 1 1 103 103 LYS C C 103 177.921 177.921 178.313 -0.392 25240 2307 1 3 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.419 -1.025 25240 2308 1 3 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.176 -0.336 25240 2309 1 3 . 1 1 103 103 LYS H H 103 6.854 6.854 8.310 -1.456 25240 2310 1 3 . 1 1 104 104 LYS N N 104 119.199 119.199 118.358 0.841 25240 2311 1 3 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.056 -0.162 25240 2312 1 3 . 1 1 104 104 LYS C C 104 180.011 180.011 178.520 1.491 25240 2313 1 3 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.842 1.842 25240 2314 1 3 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.522 0.203 25240 2315 1 3 . 1 1 104 104 LYS H H 104 8.048 8.048 8.430 -0.382 25240 2316 1 3 . 1 1 105 105 MET N N 105 118.021 118.021 119.625 -1.604 25240 2317 1 3 . 1 1 105 105 MET HA H 105 4.121 4.121 4.300 -0.179 25240 2318 1 3 . 1 1 105 105 MET C C 105 178.899 178.899 177.682 1.217 25240 2319 1 3 . 1 1 105 105 MET CA C 105 58.509 58.509 57.567 0.942 25240 2320 1 3 . 1 1 105 105 MET CB C 105 32.069 32.069 32.065 0.004 25240 2321 1 3 . 1 1 105 105 MET H H 105 8.546 8.546 7.613 0.933 25240 2322 1 3 . 1 1 106 106 LEU N N 106 122.895 122.895 120.222 2.673 25240 2323 1 3 . 1 1 106 106 LEU HA H 106 4.036 4.036 3.981 0.055 25240 2324 1 3 . 1 1 106 106 LEU C C 106 179.910 179.910 179.703 0.207 25240 2325 1 3 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.858 0.307 25240 2326 1 3 . 1 1 106 106 LEU CB C 106 41.912 41.912 41.358 0.553 25240 2327 1 3 . 1 1 106 106 LEU H H 106 7.674 7.674 7.479 0.195 25240 2328 1 3 . 1 1 107 107 TYR N N 107 119.036 119.036 117.195 1.841 25240 2329 1 3 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.506 -0.472 25240 2330 1 3 . 1 1 107 107 TYR C C 107 181.360 181.360 178.674 2.686 25240 2331 1 3 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.018 0.894 25240 2332 1 3 . 1 1 107 107 TYR CB C 107 37.677 37.677 38.142 -0.465 25240 2333 1 3 . 1 1 107 107 TYR H H 107 8.669 8.669 8.105 0.564 25240 2334 1 3 . 1 1 108 108 SER N N 108 118.372 118.372 114.108 4.264 25240 2335 1 3 . 1 1 108 108 SER HA H 108 4.324 4.324 4.251 0.073 25240 2336 1 3 . 1 1 108 108 SER C C 108 178.023 178.023 175.655 2.368 25240 2337 1 3 . 1 1 108 108 SER CA C 108 62.286 62.286 61.263 1.023 25240 2338 1 3 . 1 1 108 108 SER CB C 108 63.545 63.545 63.150 0.395 25240 2339 1 3 . 1 1 108 108 SER H H 108 8.973 8.973 7.753 1.220 25240 2340 1 3 . 1 1 109 109 SER N N 109 116.727 116.727 117.416 -0.689 25240 2341 1 3 . 1 1 109 109 SER HA H 109 4.292 4.292 4.444 -0.152 25240 2342 1 3 . 1 1 109 109 SER C C 109 176.405 176.405 176.295 0.110 25240 2343 1 3 . 1 1 109 109 SER CA C 109 61.370 61.370 61.218 0.152 25240 2344 1 3 . 1 1 109 109 SER CB C 109 63.202 63.202 63.511 -0.309 25240 2345 1 3 . 1 1 109 109 SER H H 109 8.353 8.353 7.744 0.609 25240 2346 1 3 . 1 1 110 110 SER N N 110 115.229 115.229 118.019 -2.790 25240 2347 1 3 . 1 1 110 110 SER HA H 110 4.549 4.549 4.148 0.401 25240 2348 1 3 . 1 1 110 110 SER C C 110 172.899 172.899 176.086 -3.187 25240 2349 1 3 . 1 1 110 110 SER CA C 110 59.424 59.424 61.096 -1.672 25240 2350 1 3 . 1 1 110 110 SER CB C 110 62.973 62.973 62.808 0.165 25240 2351 1 3 . 1 1 110 110 SER H H 110 7.236 7.236 7.562 -0.326 25240 2352 1 3 . 1 1 111 111 PHE N N 111 120.978 120.978 122.065 -1.087 25240 2353 1 3 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.978 0.037 25240 2354 1 3 . 1 1 111 111 PHE C C 111 177.483 177.483 176.768 0.715 25240 2355 1 3 . 1 1 111 111 PHE CA C 111 57.708 57.708 60.990 -3.282 25240 2356 1 3 . 1 1 111 111 PHE CB C 111 38.364 38.364 39.219 -0.855 25240 2357 1 3 . 1 1 111 111 PHE H H 111 7.069 7.069 7.552 -0.483 25240 2358 1 3 . 1 1 112 112 ASP N N 112 116.485 116.485 118.974 -2.489 25240 2359 1 3 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.308 -0.555 25240 2360 1 3 . 1 1 112 112 ASP C C 112 177.281 177.281 177.798 -0.517 25240 2361 1 3 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.672 0.807 25240 2362 1 3 . 1 1 112 112 ASP CB C 112 40.424 40.424 41.035 -0.611 25240 2363 1 3 . 1 1 112 112 ASP H H 112 8.305 8.305 7.683 0.622 25240 2364 1 3 . 1 1 113 113 ALA N N 113 121.059 121.059 122.159 -1.100 25240 2365 1 3 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.977 -0.224 25240 2366 1 3 . 1 1 113 113 ALA C C 113 180.416 180.416 179.564 0.852 25240 2367 1 3 . 1 1 113 113 ALA CA C 113 54.846 54.846 55.057 -0.211 25240 2368 1 3 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.741 -1.666 25240 2369 1 3 . 1 1 113 113 ALA H H 113 7.393 7.393 7.309 0.084 25240 2370 1 3 . 1 1 114 114 LEU N N 114 118.535 118.535 115.351 3.184 25240 2371 1 3 . 1 1 114 114 LEU HA H 114 3.632 3.632 4.036 -0.404 25240 2372 1 3 . 1 1 114 114 LEU C C 114 178.191 178.191 178.233 -0.042 25240 2373 1 3 . 1 1 114 114 LEU CA C 114 56.906 56.906 57.749 -0.843 25240 2374 1 3 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.773 0.567 25240 2375 1 3 . 1 1 114 114 LEU H H 114 6.647 6.647 7.851 -1.204 25240 2376 1 3 . 1 1 115 115 LYS N N 115 117.340 117.340 118.660 -1.320 25240 2377 1 3 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.683 -0.454 25240 2378 1 3 . 1 1 115 115 LYS C C 115 179.877 179.877 178.095 1.782 25240 2379 1 3 . 1 1 115 115 LYS CA C 115 59.424 59.424 60.258 -0.834 25240 2380 1 3 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.632 0.322 25240 2381 1 3 . 1 1 115 115 LYS H H 115 7.730 7.730 7.238 0.492 25240 2382 1 3 . 1 1 116 116 LYS N N 116 116.144 116.144 117.336 -1.192 25240 2383 1 3 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.067 -0.367 25240 2384 1 3 . 1 1 116 116 LYS C C 116 177.652 177.652 178.882 -1.230 25240 2385 1 3 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.654 -0.259 25240 2386 1 3 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.103 0.424 25240 2387 1 3 . 1 1 116 116 LYS H H 116 7.714 7.714 7.659 0.055 25240 2388 1 3 . 1 1 117 117 SER N N 117 111.789 111.789 116.119 -4.330 25240 2389 1 3 . 1 1 117 117 SER HA H 117 4.179 4.179 4.181 -0.002 25240 2390 1 3 . 1 1 117 117 SER C C 117 174.483 174.483 175.778 -1.295 25240 2391 1 3 . 1 1 117 117 SER CA C 117 60.912 60.912 61.238 -0.326 25240 2392 1 3 . 1 1 117 117 SER CB C 117 64.232 64.232 63.321 0.911 25240 2393 1 3 . 1 1 117 117 SER H H 117 6.957 6.957 7.475 -0.518 25240 2394 1 3 . 1 1 118 118 LEU N N 118 122.293 122.293 115.964 6.329 25240 2395 1 3 . 1 1 118 118 LEU HA H 118 3.922 3.922 3.724 0.198 25240 2396 1 3 . 1 1 118 118 LEU C C 118 175.730 175.730 176.414 -0.684 25240 2397 1 3 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.842 -1.628 25240 2398 1 3 . 1 1 118 118 LEU CB C 118 37.448 37.448 40.919 -3.471 25240 2399 1 3 . 1 1 118 118 LEU H H 118 6.997 6.997 7.881 -0.884 25240 2400 1 3 . 1 1 119 119 VAL N N 119 121.059 121.059 121.013 0.046 25240 2401 1 3 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.426 0.201 25240 2402 1 3 . 1 1 119 119 VAL C C 119 178.697 178.697 175.199 3.498 25240 2403 1 3 . 1 1 119 119 VAL CA C 119 64.919 64.919 63.398 1.521 25240 2404 1 3 . 1 1 119 119 VAL CB C 119 31.382 31.382 30.792 0.590 25240 2405 1 3 . 1 1 119 119 VAL H H 119 7.347 7.347 7.076 0.271 25240 2406 1 3 . 1 1 120 120 GLY N N 120 117.377 117.377 114.666 2.711 25240 2407 1 3 . 1 1 120 120 GLY C C 120 174.517 174.517 172.862 1.655 25240 2408 1 3 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.697 0.191 25240 2409 1 3 . 1 1 120 120 GLY H H 120 9.077 9.077 8.173 0.904 25240 2410 1 3 . 1 1 121 121 VAL N N 121 122.254 122.254 119.349 2.905 25240 2411 1 3 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.969 -0.207 25240 2412 1 3 . 1 1 121 121 VAL C C 121 175.966 175.966 176.082 -0.116 25240 2413 1 3 . 1 1 121 121 VAL CA C 121 64.117 64.117 63.542 0.575 25240 2414 1 3 . 1 1 121 121 VAL CB C 121 31.611 31.611 30.852 0.759 25240 2415 1 3 . 1 1 121 121 VAL H H 121 7.316 7.316 8.376 -1.060 25240 2416 1 3 . 1 1 122 122 GLN N N 122 123.484 123.484 124.112 -0.628 25240 2417 1 3 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.272 -0.019 25240 2418 1 3 . 1 1 122 122 GLN C C 122 174.854 174.854 175.024 -0.170 25240 2419 1 3 . 1 1 122 122 GLN CA C 122 56.105 56.105 56.008 0.097 25240 2420 1 3 . 1 1 122 122 GLN CB C 122 31.039 31.039 30.087 0.952 25240 2421 1 3 . 1 1 122 122 GLN H H 122 8.678 8.678 8.726 -0.048 25240 2422 1 3 . 1 1 123 123 LYS N N 123 117.871 117.871 117.822 0.049 25240 2423 1 3 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.546 -0.236 25240 2424 1 3 . 1 1 123 123 LYS C C 123 173.000 173.000 173.814 -0.814 25240 2425 1 3 . 1 1 123 123 LYS CA C 123 53.358 53.358 56.313 -2.955 25240 2426 1 3 . 1 1 123 123 LYS CB C 123 34.816 34.816 36.252 -1.435 25240 2427 1 3 . 1 1 123 123 LYS H H 123 6.726 6.726 7.557 -0.831 25240 2428 1 3 . 1 1 124 124 TYR N N 124 123.352 123.352 122.445 0.907 25240 2429 1 3 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.962 -0.063 25240 2430 1 3 . 1 1 124 124 TYR C C 124 175.663 175.663 174.377 1.286 25240 2431 1 3 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.736 -0.890 25240 2432 1 3 . 1 1 124 124 TYR CB C 124 40.424 40.424 40.829 -0.405 25240 2433 1 3 . 1 1 124 124 TYR H H 124 8.441 8.441 8.159 0.282 25240 2434 1 3 . 1 1 125 125 ILE N N 125 122.835 122.835 125.289 -2.454 25240 2435 1 3 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.539 -0.137 25240 2436 1 3 . 1 1 125 125 ILE C C 125 174.348 174.348 173.980 0.368 25240 2437 1 3 . 1 1 125 125 ILE CA C 125 59.882 59.882 60.768 -0.886 25240 2438 1 3 . 1 1 125 125 ILE CB C 125 42.256 42.256 41.879 0.377 25240 2439 1 3 . 1 1 125 125 ILE H H 125 9.123 9.123 9.404 -0.281 25240 2440 1 3 . 1 1 126 126 GLN N N 126 126.869 126.869 128.774 -1.905 25240 2441 1 3 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.714 0.163 25240 2442 1 3 . 1 1 126 126 GLN C C 126 174.146 174.146 174.465 -0.319 25240 2443 1 3 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.418 -0.343 25240 2444 1 3 . 1 1 126 126 GLN CB C 126 29.551 29.551 29.774 -0.223 25240 2445 1 3 . 1 1 126 126 GLN H H 126 8.916 8.916 8.595 0.321 25240 2446 1 3 . 1 1 127 127 ALA N N 127 127.414 127.414 130.002 -2.588 25240 2447 1 3 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.901 0.062 25240 2448 1 3 . 1 1 127 127 ALA C C 127 176.539 176.539 177.057 -0.518 25240 2449 1 3 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.648 0.306 25240 2450 1 3 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.358 1.524 25240 2451 1 3 . 1 1 127 127 ALA H H 127 8.829 8.829 8.826 0.003 25240 2452 1 3 . 1 1 128 128 THR N N 128 112.753 112.753 114.874 -2.121 25240 2453 1 3 . 1 1 128 128 THR HA H 128 3.994 3.994 4.698 -0.704 25240 2454 1 3 . 1 1 128 128 THR C C 128 172.933 172.933 174.594 -1.661 25240 2455 1 3 . 1 1 128 128 THR CA C 128 60.912 60.912 62.812 -1.900 25240 2456 1 3 . 1 1 128 128 THR CB C 128 70.527 70.527 69.758 0.769 25240 2457 1 3 . 1 1 128 128 THR H H 128 9.350 9.350 8.712 0.638 25240 2458 1 3 . 1 1 129 129 ASP N N 129 118.551 118.551 119.595 -1.044 25240 2459 1 3 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.926 -0.348 25240 2460 1 3 . 1 1 129 129 ASP C C 129 176.573 176.573 176.721 -0.148 25240 2461 1 3 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.566 0.449 25240 2462 1 3 . 1 1 129 129 ASP CB C 129 43.744 43.744 42.455 1.289 25240 2463 1 3 . 1 1 129 129 ASP H H 129 7.602 7.602 7.903 -0.301 25240 2464 1 3 . 1 1 130 130 LEU N N 130 122.387 122.387 117.669 4.718 25240 2465 1 3 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.211 -0.234 25240 2466 1 3 . 1 1 130 130 LEU C C 130 179.202 179.202 177.871 1.331 25240 2467 1 3 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.063 0.988 25240 2468 1 3 . 1 1 130 130 LEU CB C 130 41.569 41.569 41.992 -0.423 25240 2469 1 3 . 1 1 130 130 LEU H H 130 8.910 8.910 8.620 0.290 25240 2470 1 3 . 1 1 131 131 SER N N 131 116.410 116.410 113.222 3.188 25240 2471 1 3 . 1 1 131 131 SER HA H 131 3.856 3.856 4.240 -0.384 25240 2472 1 3 . 1 1 131 131 SER C C 131 177.180 177.180 175.763 1.417 25240 2473 1 3 . 1 1 131 131 SER CA C 131 62.515 62.515 60.973 1.542 25240 2474 1 3 . 1 1 131 131 SER CB C 131 68.352 68.352 63.176 5.176 25240 2475 1 3 . 1 1 131 131 SER H H 131 8.645 8.645 8.712 -0.067 25240 2476 1 3 . 1 1 132 132 GLU N N 132 120.840 120.840 119.608 1.232 25240 2477 1 3 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.292 -0.222 25240 2478 1 3 . 1 1 132 132 GLU C C 132 175.427 175.427 176.715 -1.288 25240 2479 1 3 . 1 1 132 132 GLU CA C 132 57.021 57.021 56.952 0.069 25240 2480 1 3 . 1 1 132 132 GLU CB C 132 31.039 31.039 30.451 0.588 25240 2481 1 3 . 1 1 132 132 GLU H H 132 7.749 7.749 7.695 0.054 25240 2482 1 3 . 1 1 133 133 ALA N N 133 117.182 117.182 122.722 -5.540 25240 2483 1 3 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.225 0.126 25240 2484 1 3 . 1 1 133 133 ALA C C 133 175.730 175.730 175.236 0.494 25240 2485 1 3 . 1 1 133 133 ALA CA C 133 50.382 50.382 50.940 -0.558 25240 2486 1 3 . 1 1 133 133 ALA CB C 133 20.279 20.279 17.235 3.044 25240 2487 1 3 . 1 1 133 133 ALA H H 133 7.347 7.347 7.850 -0.503 25240 2488 1 3 . 1 1 134 134 SER N N 134 115.197 115.197 116.925 -1.728 25240 2489 1 3 . 1 1 134 134 SER HA H 134 4.185 4.185 4.562 -0.377 25240 2490 1 3 . 1 1 134 134 SER C C 134 173.067 173.067 175.011 -1.944 25240 2491 1 3 . 1 1 134 134 SER CA C 134 58.509 58.509 56.237 2.272 25240 2492 1 3 . 1 1 134 134 SER CB C 134 64.690 64.690 65.734 -1.044 25240 2493 1 3 . 1 1 134 134 SER H H 134 7.061 7.061 7.522 -0.461 25240 2494 1 3 . 1 1 135 135 ARG N N 135 122.190 122.190 125.307 -3.117 25240 2495 1 3 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.856 0.329 25240 2496 1 3 . 1 1 135 135 ARG C C 135 177.888 177.888 177.149 0.739 25240 2497 1 3 . 1 1 135 135 ARG CA C 135 60.111 60.111 59.672 0.439 25240 2498 1 3 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.936 -0.385 25240 2499 1 3 . 1 1 135 135 ARG H H 135 8.961 8.961 8.862 0.099 25240 2500 1 3 . 1 1 136 136 GLU N N 136 115.480 115.480 120.941 -5.461 25240 2501 1 3 . 1 1 136 136 GLU HA H 136 3.795 3.795 3.953 -0.158 25240 2502 1 3 . 1 1 136 136 GLU C C 136 178.865 178.865 177.859 1.006 25240 2503 1 3 . 1 1 136 136 GLU CA C 136 59.997 59.997 59.088 0.909 25240 2504 1 3 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.028 -0.279 25240 2505 1 3 . 1 1 136 136 GLU H H 136 8.588 8.588 8.342 0.246 25240 2506 1 3 . 1 1 137 137 ALA N N 137 123.947 123.947 121.562 2.385 25240 2507 1 3 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.239 -0.317 25240 2508 1 3 . 1 1 137 137 ALA C C 137 181.191 181.191 179.529 1.662 25240 2509 1 3 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.557 0.289 25240 2510 1 3 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.005 0.329 25240 2511 1 3 . 1 1 137 137 ALA H H 137 7.578 7.578 7.979 -0.401 25240 2512 1 3 . 1 1 138 138 VAL N N 138 119.326 119.326 117.281 2.045 25240 2513 1 3 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.422 0.483 25240 2514 1 3 . 1 1 138 138 VAL C C 138 177.584 177.584 177.656 -0.072 25240 2515 1 3 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.510 0.125 25240 2516 1 3 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.004 0.035 25240 2517 1 3 . 1 1 138 138 VAL H H 138 8.108 8.108 8.078 0.030 25240 2518 1 3 . 1 1 139 139 GLU N N 139 119.418 119.418 118.730 0.688 25240 2519 1 3 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.673 0.398 25240 2520 1 3 . 1 1 139 139 GLU C C 139 178.157 178.157 177.937 0.220 25240 2521 1 3 . 1 1 139 139 GLU CA C 139 60.569 60.569 58.890 1.679 25240 2522 1 3 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.980 0.113 25240 2523 1 3 . 1 1 139 139 GLU H H 139 8.248 8.248 7.394 0.854 25240 2524 1 3 . 1 1 140 140 GLU N N 140 116.410 116.410 119.692 -3.282 25240 2525 1 3 . 1 1 140 140 GLU HA H 140 3.731 3.731 3.974 -0.243 25240 2526 1 3 . 1 1 140 140 GLU C C 140 179.202 179.202 178.482 0.720 25240 2527 1 3 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.620 0.804 25240 2528 1 3 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.293 -0.199 25240 2529 1 3 . 1 1 140 140 GLU H H 140 7.305 7.305 8.072 -0.767 25240 2530 1 3 . 1 1 141 141 LYS N N 141 118.210 118.210 118.613 -0.403 25240 2531 1 3 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.014 -0.084 25240 2532 1 3 . 1 1 141 141 LYS C C 141 179.607 179.607 178.346 1.261 25240 2533 1 3 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.719 -0.325 25240 2534 1 3 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.164 0.019 25240 2535 1 3 . 1 1 141 141 LYS H H 141 7.292 7.292 7.686 -0.394 25240 2536 1 3 . 1 1 142 142 LEU N N 142 119.472 119.472 116.564 2.908 25240 2537 1 3 . 1 1 142 142 LEU HA H 142 3.680 3.680 3.796 -0.116 25240 2538 1 3 . 1 1 142 142 LEU C C 142 178.663 178.663 178.530 0.133 25240 2539 1 3 . 1 1 142 142 LEU CA C 142 57.364 57.364 56.674 0.690 25240 2540 1 3 . 1 1 142 142 LEU CB C 142 40.424 40.424 40.996 -0.572 25240 2541 1 3 . 1 1 142 142 LEU H H 142 8.112 8.112 6.971 1.141 25240 2542 1 3 . 1 1 143 143 ARG N N 143 117.384 117.384 118.751 -1.367 25240 2543 1 3 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.090 -0.130 25240 2544 1 3 . 1 1 143 143 ARG C C 143 177.989 177.989 177.377 0.612 25240 2545 1 3 . 1 1 143 143 ARG CA C 143 58.051 58.051 58.596 -0.545 25240 2546 1 3 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.387 1.308 25240 2547 1 3 . 1 1 143 143 ARG H H 143 7.832 7.832 8.415 -0.583 25240 2548 1 3 . 1 1 144 144 ALA N N 144 121.192 121.192 118.490 2.702 25240 2549 1 3 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.366 -0.285 25240 2550 1 3 . 1 1 144 144 ALA C C 144 178.697 178.697 178.104 0.593 25240 2551 1 3 . 1 1 144 144 ALA CA C 144 53.930 53.930 52.901 1.030 25240 2552 1 3 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.826 -0.035 25240 2553 1 3 . 1 1 144 144 ALA H H 144 7.284 7.284 7.494 -0.210 25240 2554 1 3 . 1 1 145 145 THR N N 145 109.503 109.503 114.138 -4.635 25240 2555 1 3 . 1 1 145 145 THR HA H 145 4.270 4.270 4.433 -0.163 25240 2556 1 3 . 1 1 145 145 THR C C 145 174.787 174.787 174.992 -0.205 25240 2557 1 3 . 1 1 145 145 THR CA C 145 61.828 61.828 64.087 -2.259 25240 2558 1 3 . 1 1 145 145 THR CB C 145 68.925 68.925 69.976 -1.051 25240 2559 1 3 . 1 1 145 145 THR H H 145 7.690 7.690 7.731 -0.041 25240 2560 1 3 . 1 1 146 146 ASP N N 146 122.786 122.786 123.318 -0.532 25240 2561 1 3 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.773 -0.229 25240 2562 1 3 . 1 1 146 146 ASP C C 146 176.000 176.000 175.551 0.449 25240 2563 1 3 . 1 1 146 146 ASP CA C 146 54.732 54.732 54.237 0.495 25240 2564 1 3 . 1 1 146 146 ASP CB C 146 41.111 41.111 41.793 -0.682 25240 2565 1 3 . 1 1 146 146 ASP H H 146 7.873 7.873 8.019 -0.146 25240 2566 1 3 . 1 1 147 147 ARG N N 147 120.926 120.926 121.033 -0.107 25240 2567 1 3 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.386 -0.116 25240 2568 1 3 . 1 1 147 147 ARG C C 147 175.427 175.427 175.434 -0.007 25240 2569 1 3 . 1 1 147 147 ARG CA C 147 56.105 56.105 56.063 0.042 25240 2570 1 3 . 1 1 147 147 ARG CB C 147 30.695 30.695 29.623 1.072 25240 2571 1 3 . 1 1 147 147 ARG H H 147 8.048 8.048 8.638 -0.590 25240 2572 1 4 . 1 1 2 2 ALA N N 2 126.020 126.020 126.912 -0.892 25240 2573 1 4 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.672 -0.465 25240 2574 1 4 . 1 1 2 2 ALA C C 2 177.605 177.605 177.109 0.496 25240 2575 1 4 . 1 1 2 2 ALA CA C 2 52.442 52.442 51.188 1.254 25240 2576 1 4 . 1 1 2 2 ALA CB C 2 19.135 19.135 20.649 -1.514 25240 2577 1 4 . 1 1 2 2 ALA H H 2 8.306 8.306 8.418 -0.112 25240 2578 1 4 . 1 1 3 3 SER N N 3 115.214 115.214 116.833 -1.619 25240 2579 1 4 . 1 1 3 3 SER HA H 3 4.282 4.282 4.366 -0.084 25240 2580 1 4 . 1 1 3 3 SER C C 3 174.965 174.965 173.967 0.998 25240 2581 1 4 . 1 1 3 3 SER CA C 3 58.165 58.165 59.200 -1.035 25240 2582 1 4 . 1 1 3 3 SER CB C 3 64.003 64.003 61.875 2.128 25240 2583 1 4 . 1 1 3 3 SER H H 3 8.183 8.183 8.582 -0.399 25240 2584 1 4 . 1 1 4 4 GLY N N 4 110.858 110.858 111.230 -0.372 25240 2585 1 4 . 1 1 4 4 GLY C C 4 173.716 173.716 172.522 1.194 25240 2586 1 4 . 1 1 4 4 GLY CA C 4 45.003 45.003 45.586 -0.583 25240 2587 1 4 . 1 1 4 4 GLY H H 4 8.279 8.279 7.857 0.422 25240 2588 1 4 . 1 1 5 5 VAL N N 5 119.961 119.961 121.643 -1.682 25240 2589 1 4 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.314 -0.186 25240 2590 1 4 . 1 1 5 5 VAL C C 5 176.275 176.275 175.412 0.863 25240 2591 1 4 . 1 1 5 5 VAL CA C 5 62.172 62.172 60.665 1.507 25240 2592 1 4 . 1 1 5 5 VAL CB C 5 32.641 32.641 34.580 -1.939 25240 2593 1 4 . 1 1 5 5 VAL H H 5 7.672 7.672 7.903 -0.231 25240 2594 1 4 . 1 1 6 6 THR N N 6 115.480 115.480 122.433 -6.953 25240 2595 1 4 . 1 1 6 6 THR HA H 6 4.487 4.487 4.514 -0.027 25240 2596 1 4 . 1 1 6 6 THR C C 6 173.252 173.252 173.065 0.187 25240 2597 1 4 . 1 1 6 6 THR CA C 6 59.882 59.882 61.829 -1.947 25240 2598 1 4 . 1 1 6 6 THR CB C 6 71.328 71.328 69.914 1.414 25240 2599 1 4 . 1 1 6 6 THR H H 6 7.756 7.756 8.526 -0.770 25240 2600 1 4 . 1 1 7 7 VAL N N 7 120.262 120.262 123.993 -3.731 25240 2601 1 4 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.319 -0.240 25240 2602 1 4 . 1 1 7 7 VAL C C 7 176.215 176.215 175.557 0.658 25240 2603 1 4 . 1 1 7 7 VAL CA C 7 62.057 62.057 60.729 1.328 25240 2604 1 4 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.350 1.207 25240 2605 1 4 . 1 1 7 7 VAL H H 7 8.447 8.447 8.400 0.047 25240 2606 1 4 . 1 1 8 8 SER N N 8 124.247 124.247 121.305 2.942 25240 2607 1 4 . 1 1 8 8 SER HA H 8 4.271 4.271 4.523 -0.252 25240 2608 1 4 . 1 1 8 8 SER C C 8 175.892 175.892 175.128 0.764 25240 2609 1 4 . 1 1 8 8 SER CA C 8 58.738 58.738 58.171 0.567 25240 2610 1 4 . 1 1 8 8 SER CB C 8 64.003 64.003 64.924 -0.921 25240 2611 1 4 . 1 1 8 8 SER H H 8 8.816 8.816 8.041 0.775 25240 2612 1 4 . 1 1 9 9 ASP N N 9 125.176 125.176 124.394 0.782 25240 2613 1 4 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.447 -0.138 25240 2614 1 4 . 1 1 9 9 ASP C C 9 178.492 178.492 177.573 0.919 25240 2615 1 4 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.923 1.014 25240 2616 1 4 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.674 -0.479 25240 2617 1 4 . 1 1 9 9 ASP H H 9 9.033 9.033 8.998 0.035 25240 2618 1 4 . 1 1 10 10 VAL N N 10 117.738 117.738 118.742 -1.004 25240 2619 1 4 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.749 0.345 25240 2620 1 4 . 1 1 10 10 VAL C C 10 179.439 179.439 177.437 2.002 25240 2621 1 4 . 1 1 10 10 VAL CA C 10 64.575 64.575 66.055 -1.480 25240 2622 1 4 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.196 0.300 25240 2623 1 4 . 1 1 10 10 VAL H H 10 8.078 8.078 8.124 -0.046 25240 2624 1 4 . 1 1 11 11 CYS N N 11 121.775 121.775 117.511 4.264 25240 2625 1 4 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.359 -0.445 25240 2626 1 4 . 1 1 11 11 CYS C C 11 176.094 176.094 176.556 -0.462 25240 2627 1 4 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.167 1.607 25240 2628 1 4 . 1 1 11 11 CYS CB C 11 27.032 27.032 26.866 0.166 25240 2629 1 4 . 1 1 11 11 CYS H H 11 7.922 7.922 7.861 0.061 25240 2630 1 4 . 1 1 12 12 LYS N N 12 117.392 117.392 120.403 -3.011 25240 2631 1 4 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.168 -0.254 25240 2632 1 4 . 1 1 12 12 LYS C C 12 179.097 179.097 178.732 0.365 25240 2633 1 4 . 1 1 12 12 LYS CA C 12 59.768 59.768 59.668 0.100 25240 2634 1 4 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.468 -0.513 25240 2635 1 4 . 1 1 12 12 LYS H H 12 7.010 7.010 7.652 -0.642 25240 2636 1 4 . 1 1 13 13 THR N N 13 114.683 114.683 115.372 -0.689 25240 2637 1 4 . 1 1 13 13 THR HA H 13 3.951 3.951 4.047 -0.096 25240 2638 1 4 . 1 1 13 13 THR C C 13 177.424 177.424 176.800 0.624 25240 2639 1 4 . 1 1 13 13 THR CA C 13 66.063 66.063 66.784 -0.721 25240 2640 1 4 . 1 1 13 13 THR CB C 13 67.666 67.666 68.413 -0.747 25240 2641 1 4 . 1 1 13 13 THR H H 13 8.309 8.309 8.435 -0.126 25240 2642 1 4 . 1 1 14 14 THR N N 14 118.012 118.012 118.538 -0.526 25240 2643 1 4 . 1 1 14 14 THR HA H 14 4.015 4.015 3.719 0.296 25240 2644 1 4 . 1 1 14 14 THR C C 14 176.316 176.316 175.516 0.800 25240 2645 1 4 . 1 1 14 14 THR CA C 14 67.208 67.208 66.658 0.550 25240 2646 1 4 . 1 1 14 14 THR CB C 14 62.515 62.515 68.543 -6.027 25240 2647 1 4 . 1 1 14 14 THR H H 14 8.138 8.138 7.512 0.626 25240 2648 1 4 . 1 1 15 15 TYR N N 15 120.840 120.840 122.565 -1.725 25240 2649 1 4 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.010 0.127 25240 2650 1 4 . 1 1 15 15 TYR C C 15 177.081 177.081 176.951 0.130 25240 2651 1 4 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.149 -0.465 25240 2652 1 4 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.255 0.109 25240 2653 1 4 . 1 1 15 15 TYR H H 15 7.740 7.740 8.089 -0.349 25240 2654 1 4 . 1 1 16 16 GLU N N 16 120.605 120.605 118.536 2.069 25240 2655 1 4 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.814 -0.279 25240 2656 1 4 . 1 1 16 16 GLU C C 16 178.673 178.673 179.024 -0.351 25240 2657 1 4 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.464 0.533 25240 2658 1 4 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.088 -0.339 25240 2659 1 4 . 1 1 16 16 GLU H H 16 8.182 8.182 8.064 0.118 25240 2660 1 4 . 1 1 17 17 GLU N N 17 117.384 117.384 119.155 -1.771 25240 2661 1 4 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.090 0.031 25240 2662 1 4 . 1 1 17 17 GLU C C 17 179.399 179.399 179.000 0.399 25240 2663 1 4 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.549 0.303 25240 2664 1 4 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.733 -0.297 25240 2665 1 4 . 1 1 17 17 GLU H H 17 7.839 7.839 7.505 0.334 25240 2666 1 4 . 1 1 18 18 ILE N N 18 118.004 118.004 119.690 -1.686 25240 2667 1 4 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.836 -0.303 25240 2668 1 4 . 1 1 18 18 ILE C C 18 177.081 177.081 176.738 0.343 25240 2669 1 4 . 1 1 18 18 ILE CA C 18 66.292 66.292 64.201 2.091 25240 2670 1 4 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.126 0.352 25240 2671 1 4 . 1 1 18 18 ILE H H 18 7.558 7.558 7.449 0.109 25240 2672 1 4 . 1 1 19 19 LYS N N 19 121.213 121.213 117.481 3.732 25240 2673 1 4 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.128 -0.479 25240 2674 1 4 . 1 1 19 19 LYS C C 19 176.719 176.719 176.984 -0.265 25240 2675 1 4 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.048 1.033 25240 2676 1 4 . 1 1 19 19 LYS CB C 19 33.213 33.213 31.843 1.369 25240 2677 1 4 . 1 1 19 19 LYS H H 19 8.387 8.387 7.465 0.922 25240 2678 1 4 . 1 1 20 20 LYS N N 20 115.307 115.307 118.800 -3.493 25240 2679 1 4 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.211 -0.090 25240 2680 1 4 . 1 1 20 20 LYS C C 20 178.008 178.008 177.792 0.216 25240 2681 1 4 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.972 -0.035 25240 2682 1 4 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.318 -0.563 25240 2683 1 4 . 1 1 20 20 LYS H H 20 8.608 8.608 7.310 1.298 25240 2684 1 4 . 1 1 21 21 ASP N N 21 113.556 113.556 117.018 -3.462 25240 2685 1 4 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.732 -0.111 25240 2686 1 4 . 1 1 21 21 ASP C C 21 175.147 175.147 175.272 -0.125 25240 2687 1 4 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.610 1.122 25240 2688 1 4 . 1 1 21 21 ASP CB C 21 42.713 42.713 42.042 0.671 25240 2689 1 4 . 1 1 21 21 ASP H H 21 6.395 6.395 8.105 -1.710 25240 2690 1 4 . 1 1 22 22 LYS N N 22 116.543 116.543 115.702 0.841 25240 2691 1 4 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.941 -0.160 25240 2692 1 4 . 1 1 22 22 LYS C C 22 176.900 176.900 176.550 0.350 25240 2693 1 4 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.665 -0.301 25240 2694 1 4 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.290 -1.426 25240 2695 1 4 . 1 1 22 22 LYS H H 22 7.402 7.402 8.236 -0.834 25240 2696 1 4 . 1 1 23 23 LYS N N 23 114.417 114.417 117.519 -3.102 25240 2697 1 4 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.094 -0.540 25240 2698 1 4 . 1 1 23 23 LYS C C 23 175.106 175.106 177.905 -2.799 25240 2699 1 4 . 1 1 23 23 LYS CA C 23 58.623 58.623 57.684 0.940 25240 2700 1 4 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.348 1.667 25240 2701 1 4 . 1 1 23 23 LYS H H 23 7.512 7.512 8.072 -0.560 25240 2702 1 4 . 1 1 24 24 HIS N N 24 108.361 108.361 117.111 -8.750 25240 2703 1 4 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.874 -1.086 25240 2704 1 4 . 1 1 24 24 HIS C C 24 175.308 175.308 174.914 0.394 25240 2705 1 4 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.608 -4.310 25240 2706 1 4 . 1 1 24 24 HIS CB C 24 32.412 32.412 27.517 4.896 25240 2707 1 4 . 1 1 24 24 HIS H H 24 6.099 6.099 8.270 -2.171 25240 2708 1 4 . 1 1 25 25 ARG N N 25 120.707 120.707 120.834 -0.127 25240 2709 1 4 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.074 0.034 25240 2710 1 4 . 1 1 25 25 ARG C C 25 173.091 173.091 175.187 -2.096 25240 2711 1 4 . 1 1 25 25 ARG CA C 25 55.189 55.189 58.882 -3.693 25240 2712 1 4 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.174 -0.593 25240 2713 1 4 . 1 1 25 25 ARG H H 25 8.066 8.066 7.645 0.421 25240 2714 1 4 . 1 1 26 26 TYR N N 26 106.634 106.634 115.817 -9.183 25240 2715 1 4 . 1 1 26 26 TYR HA H 26 5.066 5.066 4.826 0.240 25240 2716 1 4 . 1 1 26 26 TYR C C 26 172.224 172.224 173.081 -0.857 25240 2717 1 4 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.415 -0.683 25240 2718 1 4 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.695 0.416 25240 2719 1 4 . 1 1 26 26 TYR H H 26 6.515 6.515 7.275 -0.760 25240 2720 1 4 . 1 1 27 27 VAL N N 27 116.941 116.941 125.790 -8.849 25240 2721 1 4 . 1 1 27 27 VAL HA H 27 4.763 4.763 3.928 0.835 25240 2722 1 4 . 1 1 27 27 VAL C C 27 173.514 173.514 173.313 0.201 25240 2723 1 4 . 1 1 27 27 VAL CA C 27 59.310 59.310 60.171 -0.861 25240 2724 1 4 . 1 1 27 27 VAL CB C 27 36.189 36.189 34.090 2.099 25240 2725 1 4 . 1 1 27 27 VAL H H 27 8.843 8.843 7.551 1.292 25240 2726 1 4 . 1 1 28 28 ILE N N 28 125.708 125.708 126.834 -1.126 25240 2727 1 4 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.352 0.689 25240 2728 1 4 . 1 1 28 28 ILE C C 28 175.590 175.590 174.768 0.822 25240 2729 1 4 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.767 -1.373 25240 2730 1 4 . 1 1 28 28 ILE CB C 28 38.135 38.135 38.322 -0.188 25240 2731 1 4 . 1 1 28 28 ILE H H 28 8.915 8.915 8.582 0.333 25240 2732 1 4 . 1 1 29 29 PHE N N 29 125.649 125.649 126.178 -0.529 25240 2733 1 4 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.245 0.615 25240 2734 1 4 . 1 1 29 29 PHE C C 29 173.958 173.958 175.203 -1.245 25240 2735 1 4 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.233 -0.242 25240 2736 1 4 . 1 1 29 29 PHE CB C 29 42.599 42.599 41.652 0.947 25240 2737 1 4 . 1 1 29 29 PHE H H 29 9.597 9.597 9.118 0.479 25240 2738 1 4 . 1 1 30 30 TYR N N 30 120.134 120.134 122.109 -1.975 25240 2739 1 4 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.865 0.518 25240 2740 1 4 . 1 1 30 30 TYR C C 30 176.840 176.840 173.668 3.172 25240 2741 1 4 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.623 -2.120 25240 2742 1 4 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.641 -1.614 25240 2743 1 4 . 1 1 30 30 TYR H H 30 9.556 9.556 9.120 0.436 25240 2744 1 4 . 1 1 31 31 ILE N N 31 118.577 118.577 124.315 -5.738 25240 2745 1 4 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.433 -0.352 25240 2746 1 4 . 1 1 31 31 ILE C C 31 174.562 174.562 175.062 -0.500 25240 2747 1 4 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.939 1.202 25240 2748 1 4 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.231 -1.126 25240 2749 1 4 . 1 1 31 31 ILE H H 31 8.475 8.475 8.082 0.393 25240 2750 1 4 . 1 1 32 32 ARG N N 32 132.544 132.544 131.165 1.379 25240 2751 1 4 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.360 -0.103 25240 2752 1 4 . 1 1 32 32 ARG C C 32 176.557 176.557 175.785 0.772 25240 2753 1 4 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.828 -2.524 25240 2754 1 4 . 1 1 32 32 ARG CB C 32 31.496 31.496 30.978 0.518 25240 2755 1 4 . 1 1 32 32 ARG H H 32 8.994 8.994 8.965 0.029 25240 2756 1 4 . 1 1 33 33 ASP N N 33 128.042 128.042 123.402 4.640 25240 2757 1 4 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.261 -0.004 25240 2758 1 4 . 1 1 33 33 ASP C C 33 173.615 173.615 175.627 -2.012 25240 2759 1 4 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.476 -0.600 25240 2760 1 4 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.236 -0.270 25240 2761 1 4 . 1 1 33 33 ASP H H 33 9.442 9.442 9.169 0.273 25240 2762 1 4 . 1 1 34 34 GLU N N 34 108.952 108.952 112.417 -3.465 25240 2763 1 4 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.959 0.574 25240 2764 1 4 . 1 1 34 34 GLU C C 34 174.844 174.844 175.223 -0.379 25240 2765 1 4 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.775 0.619 25240 2766 1 4 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.033 -0.428 25240 2767 1 4 . 1 1 34 34 GLU H H 34 8.532 8.532 8.043 0.489 25240 2768 1 4 . 1 1 35 35 LYS N N 35 114.285 114.285 111.579 2.706 25240 2769 1 4 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.505 0.028 25240 2770 1 4 . 1 1 35 35 LYS C C 35 175.530 175.530 174.379 1.151 25240 2771 1 4 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.607 0.757 25240 2772 1 4 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.035 1.498 25240 2773 1 4 . 1 1 35 35 LYS H H 35 7.911 7.911 8.198 -0.287 25240 2774 1 4 . 1 1 36 36 GLN N N 36 118.851 118.851 116.986 1.865 25240 2775 1 4 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.773 0.254 25240 2776 1 4 . 1 1 36 36 GLN C C 36 174.139 174.139 174.106 0.033 25240 2777 1 4 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.864 0.639 25240 2778 1 4 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.682 0.531 25240 2779 1 4 . 1 1 36 36 GLN H H 36 7.483 7.483 8.167 -0.684 25240 2780 1 4 . 1 1 37 37 ILE N N 37 127.682 127.682 119.342 8.340 25240 2781 1 4 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.221 0.074 25240 2782 1 4 . 1 1 37 37 ILE C C 37 173.333 173.333 175.132 -1.799 25240 2783 1 4 . 1 1 37 37 ILE CA C 37 62.286 62.286 62.068 0.218 25240 2784 1 4 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.696 -0.675 25240 2785 1 4 . 1 1 37 37 ILE H H 37 9.208 9.208 8.824 0.384 25240 2786 1 4 . 1 1 38 38 ASP N N 38 128.702 128.702 125.482 3.220 25240 2787 1 4 . 1 1 38 38 ASP HA H 38 5.037 5.037 4.944 0.093 25240 2788 1 4 . 1 1 38 38 ASP C C 38 175.147 175.147 174.164 0.983 25240 2789 1 4 . 1 1 38 38 ASP CA C 38 51.870 51.870 53.713 -1.843 25240 2790 1 4 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.266 0.652 25240 2791 1 4 . 1 1 38 38 ASP H H 38 9.380 9.380 8.389 0.991 25240 2792 1 4 . 1 1 39 39 VAL N N 39 122.387 122.387 122.477 -0.090 25240 2793 1 4 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.600 -0.733 25240 2794 1 4 . 1 1 39 39 VAL C C 39 175.268 175.268 175.502 -0.234 25240 2795 1 4 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.780 2.108 25240 2796 1 4 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.392 0.279 25240 2797 1 4 . 1 1 39 39 VAL H H 39 8.769 8.769 8.737 0.032 25240 2798 1 4 . 1 1 40 40 GLU N N 40 128.576 128.576 126.738 1.838 25240 2799 1 4 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.535 -0.268 25240 2800 1 4 . 1 1 40 40 GLU C C 40 175.711 175.711 176.561 -0.850 25240 2801 1 4 . 1 1 40 40 GLU CA C 40 57.708 57.708 57.216 0.492 25240 2802 1 4 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.234 1.521 25240 2803 1 4 . 1 1 40 40 GLU H H 40 9.512 9.512 8.513 0.999 25240 2804 1 4 . 1 1 41 41 THR N N 41 111.962 111.962 116.988 -5.026 25240 2805 1 4 . 1 1 41 41 THR HA H 41 4.423 4.423 4.592 -0.169 25240 2806 1 4 . 1 1 41 41 THR C C 41 171.559 171.559 172.282 -0.723 25240 2807 1 4 . 1 1 41 41 THR CA C 41 61.256 61.256 61.696 -0.440 25240 2808 1 4 . 1 1 41 41 THR CB C 41 71.901 71.901 70.760 1.141 25240 2809 1 4 . 1 1 41 41 THR H H 41 7.277 7.277 7.531 -0.254 25240 2810 1 4 . 1 1 42 42 VAL N N 42 123.660 123.660 120.838 2.822 25240 2811 1 4 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.582 -0.339 25240 2812 1 4 . 1 1 42 42 VAL C C 42 173.877 173.877 174.328 -0.451 25240 2813 1 4 . 1 1 42 42 VAL CA C 42 60.684 60.684 59.634 1.050 25240 2814 1 4 . 1 1 42 42 VAL CB C 42 34.015 34.015 33.679 0.336 25240 2815 1 4 . 1 1 42 42 VAL H H 42 8.264 8.264 8.519 -0.255 25240 2816 1 4 . 1 1 43 43 ALA N N 43 126.970 126.970 128.058 -1.088 25240 2817 1 4 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.820 -0.384 25240 2818 1 4 . 1 1 43 43 ALA C C 43 176.759 176.759 174.601 2.158 25240 2819 1 4 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.679 -0.526 25240 2820 1 4 . 1 1 43 43 ALA CB C 43 20.737 20.737 21.750 -1.013 25240 2821 1 4 . 1 1 43 43 ALA H H 43 7.420 7.420 9.060 -1.640 25240 2822 1 4 . 1 1 44 44 ASP N N 44 120.831 120.831 116.919 3.912 25240 2823 1 4 . 1 1 44 44 ASP HA H 44 4.575 4.575 5.279 -0.704 25240 2824 1 4 . 1 1 44 44 ASP C C 44 175.771 175.771 177.913 -2.142 25240 2825 1 4 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.252 1.907 25240 2826 1 4 . 1 1 44 44 ASP CB C 44 41.798 41.798 43.812 -2.014 25240 2827 1 4 . 1 1 44 44 ASP H H 44 8.285 8.285 8.394 -0.109 25240 2828 1 4 . 1 1 45 45 ARG N N 45 118.015 118.015 120.728 -2.713 25240 2829 1 4 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.099 -0.539 25240 2830 1 4 . 1 1 45 45 ARG C C 45 175.764 175.764 177.343 -1.579 25240 2831 1 4 . 1 1 45 45 ARG CA C 45 56.792 56.792 58.414 -1.622 25240 2832 1 4 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.892 0.116 25240 2833 1 4 . 1 1 45 45 ARG H H 45 8.020 8.020 8.768 -0.748 25240 2834 1 4 . 1 1 46 46 ASN N N 46 113.620 113.620 118.229 -4.609 25240 2835 1 4 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.499 0.155 25240 2836 1 4 . 1 1 46 46 ASN C C 46 175.090 175.090 175.277 -0.187 25240 2837 1 4 . 1 1 46 46 ASN CA C 46 52.900 52.900 55.036 -2.136 25240 2838 1 4 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.911 -1.119 25240 2839 1 4 . 1 1 46 46 ASN H H 46 8.184 8.184 8.626 -0.442 25240 2840 1 4 . 1 1 47 47 ALA N N 47 124.076 124.076 122.332 1.744 25240 2841 1 4 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.414 -0.207 25240 2842 1 4 . 1 1 47 47 ALA C C 47 176.472 176.472 175.883 0.589 25240 2843 1 4 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.298 1.717 25240 2844 1 4 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.159 0.807 25240 2845 1 4 . 1 1 47 47 ALA H H 47 7.515 7.515 7.450 0.065 25240 2846 1 4 . 1 1 48 48 GLU N N 48 117.871 117.871 121.591 -3.720 25240 2847 1 4 . 1 1 48 48 GLU HA H 48 4.778 4.778 3.955 0.823 25240 2848 1 4 . 1 1 48 48 GLU C C 48 178.259 178.259 176.322 1.937 25240 2849 1 4 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.508 0.224 25240 2850 1 4 . 1 1 48 48 GLU CB C 48 32.755 32.755 30.903 1.852 25240 2851 1 4 . 1 1 48 48 GLU H H 48 8.327 8.327 7.892 0.435 25240 2852 1 4 . 1 1 49 49 TYR N N 49 122.704 122.704 120.049 2.655 25240 2853 1 4 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.374 -0.539 25240 2854 1 4 . 1 1 49 49 TYR C C 49 176.809 176.809 177.486 -0.677 25240 2855 1 4 . 1 1 49 49 TYR CA C 49 62.744 62.744 61.893 0.851 25240 2856 1 4 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.480 0.770 25240 2857 1 4 . 1 1 49 49 TYR H H 49 9.164 9.164 8.461 0.703 25240 2858 1 4 . 1 1 50 50 ASP N N 50 114.152 114.152 118.570 -4.418 25240 2859 1 4 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.359 -0.222 25240 2860 1 4 . 1 1 50 50 ASP C C 50 178.832 178.832 178.660 0.172 25240 2861 1 4 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.217 -0.853 25240 2862 1 4 . 1 1 50 50 ASP CB C 50 39.737 39.737 39.810 -0.073 25240 2863 1 4 . 1 1 50 50 ASP H H 50 8.516 8.516 8.837 -0.321 25240 2864 1 4 . 1 1 51 51 GLN N N 51 120.262 120.262 119.258 1.004 25240 2865 1 4 . 1 1 51 51 GLN HA H 51 3.912 3.912 3.983 -0.071 25240 2866 1 4 . 1 1 51 51 GLN C C 51 177.180 177.180 178.533 -1.353 25240 2867 1 4 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.413 0.438 25240 2868 1 4 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.532 0.333 25240 2869 1 4 . 1 1 51 51 GLN H H 51 7.290 7.290 7.315 -0.025 25240 2870 1 4 . 1 1 52 52 PHE N N 52 121.864 121.864 119.357 2.507 25240 2871 1 4 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.273 -1.026 25240 2872 1 4 . 1 1 52 52 PHE C C 52 175.697 175.697 177.941 -2.244 25240 2873 1 4 . 1 1 52 52 PHE CA C 52 60.569 60.569 60.470 0.099 25240 2874 1 4 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.021 0.572 25240 2875 1 4 . 1 1 52 52 PHE H H 52 6.926 6.926 7.278 -0.352 25240 2876 1 4 . 1 1 53 53 LEU N N 53 116.512 116.512 120.505 -3.993 25240 2877 1 4 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.923 -0.730 25240 2878 1 4 . 1 1 53 53 LEU C C 53 179.877 179.877 178.132 1.745 25240 2879 1 4 . 1 1 53 53 LEU CA C 53 56.449 56.449 58.163 -1.714 25240 2880 1 4 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.580 -0.240 25240 2881 1 4 . 1 1 53 53 LEU H H 53 7.382 7.382 8.221 -0.839 25240 2882 1 4 . 1 1 54 54 GLU N N 54 119.308 119.308 119.287 0.021 25240 2883 1 4 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.844 -0.186 25240 2884 1 4 . 1 1 54 54 GLU C C 54 179.371 179.371 178.551 0.820 25240 2885 1 4 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.399 -0.155 25240 2886 1 4 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.045 -0.067 25240 2887 1 4 . 1 1 54 54 GLU H H 54 7.275 7.275 8.334 -1.059 25240 2888 1 4 . 1 1 55 55 ASP N N 55 119.986 119.986 119.480 0.506 25240 2889 1 4 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.359 -0.046 25240 2890 1 4 . 1 1 55 55 ASP C C 55 179.573 179.573 178.878 0.695 25240 2891 1 4 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.245 0.119 25240 2892 1 4 . 1 1 55 55 ASP CB C 55 40.195 40.195 40.823 -0.628 25240 2893 1 4 . 1 1 55 55 ASP H H 55 8.354 8.354 8.151 0.203 25240 2894 1 4 . 1 1 56 56 ILE N N 56 121.615 121.615 119.291 2.324 25240 2895 1 4 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.521 -0.048 25240 2896 1 4 . 1 1 56 56 ILE C C 56 173.674 173.674 177.672 -3.998 25240 2897 1 4 . 1 1 56 56 ILE CA C 56 64.461 64.461 64.443 0.018 25240 2898 1 4 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.803 -1.041 25240 2899 1 4 . 1 1 56 56 ILE H H 56 8.093 8.093 7.649 0.444 25240 2900 1 4 . 1 1 57 57 GLN N N 57 113.032 113.032 118.135 -5.103 25240 2901 1 4 . 1 1 57 57 GLN HA H 57 4.147 4.147 3.868 0.279 25240 2902 1 4 . 1 1 57 57 GLN C C 57 178.899 178.899 177.165 1.734 25240 2903 1 4 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.900 -1.909 25240 2904 1 4 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.303 3.651 25240 2905 1 4 . 1 1 57 57 GLN H H 57 6.377 6.377 7.847 -1.470 25240 2906 1 4 . 1 1 58 58 LYS N N 58 122.152 122.152 115.707 6.445 25240 2907 1 4 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.139 -0.297 25240 2908 1 4 . 1 1 58 58 LYS C C 58 176.674 176.674 177.647 -0.973 25240 2909 1 4 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.719 1.704 25240 2910 1 4 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.382 -0.312 25240 2911 1 4 . 1 1 58 58 LYS H H 58 7.280 7.280 8.055 -0.775 25240 2912 1 4 . 1 1 59 59 CYS N N 59 116.543 116.543 118.632 -2.089 25240 2913 1 4 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.320 -0.174 25240 2914 1 4 . 1 1 59 59 CYS C C 59 175.056 175.056 174.899 0.157 25240 2915 1 4 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.790 -1.167 25240 2916 1 4 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.211 -2.293 25240 2917 1 4 . 1 1 59 59 CYS H H 59 7.784 7.784 7.544 0.240 25240 2918 1 4 . 1 1 60 60 GLY N N 60 109.550 109.550 107.007 2.543 25240 2919 1 4 . 1 1 60 60 GLY CA C 60 42.318 42.318 45.191 -2.873 25240 2920 1 4 . 1 1 60 60 GLY H H 60 7.542 7.542 7.571 -0.029 25240 2921 1 4 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.924 -0.696 25240 2922 1 4 . 1 1 61 61 PRO C C 61 177.079 177.079 176.903 0.176 25240 2923 1 4 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.908 0.209 25240 2924 1 4 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.387 -0.891 25240 2925 1 4 . 1 1 62 62 GLY N N 62 106.490 106.490 105.440 1.050 25240 2926 1 4 . 1 1 62 62 GLY C C 62 174.011 174.011 174.071 -0.060 25240 2927 1 4 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.056 1.061 25240 2928 1 4 . 1 1 62 62 GLY H H 62 8.479 8.479 8.429 0.050 25240 2929 1 4 . 1 1 63 63 GLU N N 63 119.465 119.465 119.480 -0.015 25240 2930 1 4 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.724 -0.426 25240 2931 1 4 . 1 1 63 63 GLU C C 63 173.775 173.775 175.274 -1.499 25240 2932 1 4 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.460 0.501 25240 2933 1 4 . 1 1 63 63 GLU CB C 63 33.557 33.557 33.267 0.289 25240 2934 1 4 . 1 1 63 63 GLU H H 63 7.001 7.001 7.727 -0.726 25240 2935 1 4 . 1 1 64 64 CYS N N 64 111.402 111.402 116.927 -5.525 25240 2936 1 4 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.746 -1.237 25240 2937 1 4 . 1 1 64 64 CYS C C 64 173.371 173.371 174.118 -0.747 25240 2938 1 4 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.806 -1.159 25240 2939 1 4 . 1 1 64 64 CYS CB C 64 31.267 31.267 31.108 0.159 25240 2940 1 4 . 1 1 64 64 CYS H H 64 6.622 6.622 8.567 -1.945 25240 2941 1 4 . 1 1 65 65 ARG N N 65 117.835 117.835 122.454 -4.619 25240 2942 1 4 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.990 -0.316 25240 2943 1 4 . 1 1 65 65 ARG C C 65 174.820 174.820 174.734 0.086 25240 2944 1 4 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.983 -1.396 25240 2945 1 4 . 1 1 65 65 ARG CB C 65 39.737 39.737 34.591 5.146 25240 2946 1 4 . 1 1 65 65 ARG H H 65 8.621 8.621 9.043 -0.422 25240 2947 1 4 . 1 1 66 66 TYR N N 66 114.314 114.314 119.868 -5.554 25240 2948 1 4 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.254 0.821 25240 2949 1 4 . 1 1 66 66 TYR C C 66 176.068 176.068 176.205 -0.137 25240 2950 1 4 . 1 1 66 66 TYR CA C 66 54.846 54.846 55.767 -0.921 25240 2951 1 4 . 1 1 66 66 TYR CB C 66 41.798 41.798 41.716 0.082 25240 2952 1 4 . 1 1 66 66 TYR H H 66 8.256 8.256 9.154 -0.898 25240 2953 1 4 . 1 1 67 67 GLY N N 67 107.717 107.717 107.127 0.590 25240 2954 1 4 . 1 1 67 67 GLY C C 67 170.135 170.135 171.882 -1.747 25240 2955 1 4 . 1 1 67 67 GLY CA C 67 45.575 45.575 45.536 0.039 25240 2956 1 4 . 1 1 67 67 GLY H H 67 9.831 9.831 8.563 1.268 25240 2957 1 4 . 1 1 68 68 LEU N N 68 127.494 127.494 126.053 1.441 25240 2958 1 4 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.156 0.338 25240 2959 1 4 . 1 1 68 68 LEU C C 68 173.674 173.674 174.424 -0.750 25240 2960 1 4 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.641 -0.316 25240 2961 1 4 . 1 1 68 68 LEU CB C 68 47.177 47.177 45.271 1.906 25240 2962 1 4 . 1 1 68 68 LEU H H 68 9.391 9.391 8.231 1.160 25240 2963 1 4 . 1 1 69 69 PHE N N 69 126.775 126.775 127.500 -0.725 25240 2964 1 4 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.439 -0.936 25240 2965 1 4 . 1 1 69 69 PHE C C 69 172.629 172.629 173.647 -1.018 25240 2966 1 4 . 1 1 69 69 PHE CA C 69 56.334 56.334 54.884 1.450 25240 2967 1 4 . 1 1 69 69 PHE CB C 69 43.744 43.744 42.942 0.802 25240 2968 1 4 . 1 1 69 69 PHE H H 69 8.017 8.017 8.435 -0.418 25240 2969 1 4 . 1 1 70 70 ASP N N 70 126.639 126.639 128.930 -2.291 25240 2970 1 4 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.051 -0.260 25240 2971 1 4 . 1 1 70 70 ASP C C 70 172.764 172.764 174.760 -1.996 25240 2972 1 4 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.385 0.744 25240 2973 1 4 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.867 -2.214 25240 2974 1 4 . 1 1 70 70 ASP H H 70 7.087 7.087 8.446 -1.359 25240 2975 1 4 . 1 1 71 71 PHE N N 71 129.107 129.107 121.909 7.198 25240 2976 1 4 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.076 -0.380 25240 2977 1 4 . 1 1 71 71 PHE C C 71 174.315 174.315 173.855 0.460 25240 2978 1 4 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.769 3.083 25240 2979 1 4 . 1 1 71 71 PHE CB C 71 42.713 42.713 41.999 0.714 25240 2980 1 4 . 1 1 71 71 PHE H H 71 8.656 8.656 7.239 1.417 25240 2981 1 4 . 1 1 72 72 GLU N N 72 126.483 126.483 122.108 4.375 25240 2982 1 4 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.591 0.560 25240 2983 1 4 . 1 1 72 72 GLU C C 72 175.090 175.090 174.843 0.247 25240 2984 1 4 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.602 -0.870 25240 2985 1 4 . 1 1 72 72 GLU CB C 72 31.840 31.840 28.778 3.062 25240 2986 1 4 . 1 1 72 72 GLU H H 72 8.134 8.134 8.838 -0.705 25240 2987 1 4 . 1 1 73 73 TYR N N 73 120.527 120.527 127.129 -6.602 25240 2988 1 4 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.963 -0.288 25240 2989 1 4 . 1 1 73 73 TYR C C 73 172.966 172.966 174.004 -1.038 25240 2990 1 4 . 1 1 73 73 TYR CA C 73 55.991 55.991 56.749 -0.758 25240 2991 1 4 . 1 1 73 73 TYR CB C 73 39.509 39.509 42.513 -3.004 25240 2992 1 4 . 1 1 73 73 TYR H H 73 8.504 8.504 8.738 -0.234 25240 2993 1 4 . 1 1 74 74 MET N N 74 118.604 118.604 122.986 -4.382 25240 2994 1 4 . 1 1 74 74 MET HA H 74 4.729 4.729 5.094 -0.365 25240 2995 1 4 . 1 1 74 74 MET C C 74 176.000 176.000 174.293 1.707 25240 2996 1 4 . 1 1 74 74 MET CA C 74 53.930 53.930 54.463 -0.533 25240 2997 1 4 . 1 1 74 74 MET CB C 74 32.412 32.412 34.586 -2.174 25240 2998 1 4 . 1 1 74 74 MET H H 74 8.752 8.752 8.276 0.476 25240 2999 1 4 . 1 1 75 75 HIS N N 75 123.810 123.810 121.442 2.368 25240 3000 1 4 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.784 -0.109 25240 3001 1 4 . 1 1 75 75 HIS C C 75 174.112 174.112 174.625 -0.513 25240 3002 1 4 . 1 1 75 75 HIS CA C 75 55.762 55.762 54.956 0.806 25240 3003 1 4 . 1 1 75 75 HIS CB C 75 32.755 32.755 33.928 -1.173 25240 3004 1 4 . 1 1 75 75 HIS H H 75 8.902 8.902 8.422 0.480 25240 3005 1 4 . 1 1 76 76 GLN N N 76 125.324 125.324 123.030 2.294 25240 3006 1 4 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.317 -0.021 25240 3007 1 4 . 1 1 76 76 GLN C C 76 175.056 175.056 174.828 0.228 25240 3008 1 4 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.642 -0.453 25240 3009 1 4 . 1 1 76 76 GLN CB C 76 29.551 29.551 29.691 -0.140 25240 3010 1 4 . 1 1 76 76 GLN H H 76 8.292 8.292 8.625 -0.333 25240 3011 1 4 . 1 1 77 77 CYS N N 77 123.013 123.013 123.476 -0.463 25240 3012 1 4 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.732 -0.436 25240 3013 1 4 . 1 1 77 77 CYS C C 77 174.719 174.719 174.458 0.261 25240 3014 1 4 . 1 1 77 77 CYS CA C 77 58.738 58.738 58.044 0.694 25240 3015 1 4 . 1 1 77 77 CYS CB C 77 27.948 27.948 28.335 -0.387 25240 3016 1 4 . 1 1 77 77 CYS H H 77 8.420 8.420 7.967 0.453 25240 3017 1 4 . 1 1 78 78 GLN N N 78 123.960 123.960 126.520 -2.560 25240 3018 1 4 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.902 0.198 25240 3019 1 4 . 1 1 78 78 GLN C C 78 176.910 176.910 175.290 1.620 25240 3020 1 4 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.236 -0.215 25240 3021 1 4 . 1 1 78 78 GLN CB C 78 28.635 28.635 26.159 2.476 25240 3022 1 4 . 1 1 78 78 GLN H H 78 8.658 8.658 9.407 -0.749 25240 3023 1 4 . 1 1 79 79 GLY N N 79 111.173 111.173 104.479 6.694 25240 3024 1 4 . 1 1 79 79 GLY C C 79 174.315 174.315 174.762 -0.447 25240 3025 1 4 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.001 0.459 25240 3026 1 4 . 1 1 79 79 GLY H H 79 8.636 8.636 9.028 -0.392 25240 3027 1 4 . 1 1 80 80 THR N N 80 111.761 111.761 119.320 -7.559 25240 3028 1 4 . 1 1 80 80 THR HA H 80 4.483 4.483 4.343 0.140 25240 3029 1 4 . 1 1 80 80 THR C C 80 174.483 174.483 175.235 -0.752 25240 3030 1 4 . 1 1 80 80 THR CA C 80 60.912 60.912 62.245 -1.333 25240 3031 1 4 . 1 1 80 80 THR CB C 80 70.413 70.413 69.095 1.318 25240 3032 1 4 . 1 1 80 80 THR H H 80 7.730 7.730 7.946 -0.216 25240 3033 1 4 . 1 1 81 81 SER N N 81 116.277 116.277 124.373 -8.096 25240 3034 1 4 . 1 1 81 81 SER HA H 81 3.810 3.810 4.357 -0.547 25240 3035 1 4 . 1 1 81 81 SER C C 81 174.517 174.517 174.480 0.037 25240 3036 1 4 . 1 1 81 81 SER CA C 81 58.738 58.738 58.910 -0.172 25240 3037 1 4 . 1 1 81 81 SER CB C 81 63.545 63.545 61.867 1.677 25240 3038 1 4 . 1 1 81 81 SER H H 81 8.312 8.312 8.956 -0.644 25240 3039 1 4 . 1 1 82 82 GLU N N 82 121.911 121.911 121.758 0.153 25240 3040 1 4 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.333 -0.084 25240 3041 1 4 . 1 1 82 82 GLU C C 82 176.202 176.202 176.024 0.178 25240 3042 1 4 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.342 0.108 25240 3043 1 4 . 1 1 82 82 GLU CB C 82 30.695 30.695 30.116 0.579 25240 3044 1 4 . 1 1 82 82 GLU H H 82 8.058 8.058 8.096 -0.038 25240 3045 1 4 . 1 1 83 83 SER N N 83 117.340 117.340 115.241 2.099 25240 3046 1 4 . 1 1 83 83 SER HA H 83 4.292 4.292 4.134 0.158 25240 3047 1 4 . 1 1 83 83 SER C C 83 174.146 174.146 173.483 0.663 25240 3048 1 4 . 1 1 83 83 SER CA C 83 58.165 58.165 58.489 -0.323 25240 3049 1 4 . 1 1 83 83 SER CB C 83 64.461 64.461 62.186 2.275 25240 3050 1 4 . 1 1 83 83 SER H H 83 8.355 8.355 8.114 0.241 25240 3051 1 4 . 1 1 84 84 SER N N 84 117.340 117.340 117.264 0.076 25240 3052 1 4 . 1 1 84 84 SER HA H 84 4.734 4.734 4.270 0.464 25240 3053 1 4 . 1 1 84 84 SER C C 84 173.236 173.236 174.460 -1.224 25240 3054 1 4 . 1 1 84 84 SER CA C 84 57.708 57.708 59.459 -1.751 25240 3055 1 4 . 1 1 84 84 SER CB C 84 64.919 64.919 63.391 1.528 25240 3056 1 4 . 1 1 84 84 SER H H 84 8.435 8.435 8.323 0.112 25240 3057 1 4 . 1 1 85 85 LYS N N 85 123.283 123.283 127.741 -4.458 25240 3058 1 4 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.670 -0.215 25240 3059 1 4 . 1 1 85 85 LYS C C 85 176.236 176.236 176.019 0.217 25240 3060 1 4 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.051 0.625 25240 3061 1 4 . 1 1 85 85 LYS CB C 85 32.755 32.755 33.304 -0.549 25240 3062 1 4 . 1 1 85 85 LYS H H 85 8.274 8.274 8.499 -0.225 25240 3063 1 4 . 1 1 86 86 LYS N N 86 125.176 125.176 127.707 -2.531 25240 3064 1 4 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.623 -0.318 25240 3065 1 4 . 1 1 86 86 LYS C C 86 174.753 174.753 175.018 -0.265 25240 3066 1 4 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.662 -0.274 25240 3067 1 4 . 1 1 86 86 LYS CB C 86 34.358 34.358 35.771 -1.413 25240 3068 1 4 . 1 1 86 86 LYS H H 86 8.590 8.590 8.933 -0.343 25240 3069 1 4 . 1 1 87 87 GLN N N 87 118.903 118.903 124.978 -6.075 25240 3070 1 4 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.977 0.192 25240 3071 1 4 . 1 1 87 87 GLN C C 87 175.562 175.562 175.688 -0.126 25240 3072 1 4 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.684 -1.067 25240 3073 1 4 . 1 1 87 87 GLN CB C 87 30.695 30.695 29.992 0.703 25240 3074 1 4 . 1 1 87 87 GLN H H 87 7.946 7.946 8.688 -0.742 25240 3075 1 4 . 1 1 88 88 LYS N N 88 124.114 124.114 125.065 -0.951 25240 3076 1 4 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.560 0.078 25240 3077 1 4 . 1 1 88 88 LYS C C 88 174.449 174.449 174.655 -0.206 25240 3078 1 4 . 1 1 88 88 LYS CA C 88 55.418 55.418 55.001 0.417 25240 3079 1 4 . 1 1 88 88 LYS CB C 88 36.876 36.876 34.817 2.059 25240 3080 1 4 . 1 1 88 88 LYS H H 88 9.258 9.258 8.021 1.237 25240 3081 1 4 . 1 1 89 89 LEU N N 89 123.968 123.968 124.936 -0.968 25240 3082 1 4 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.110 0.010 25240 3083 1 4 . 1 1 89 89 LEU C C 89 176.843 176.843 176.117 0.726 25240 3084 1 4 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.145 0.472 25240 3085 1 4 . 1 1 89 89 LEU CB C 89 43.972 43.972 42.303 1.669 25240 3086 1 4 . 1 1 89 89 LEU H H 89 8.318 8.318 8.653 -0.335 25240 3087 1 4 . 1 1 90 90 PHE N N 90 118.366 118.366 120.233 -1.867 25240 3088 1 4 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.619 -0.172 25240 3089 1 4 . 1 1 90 90 PHE C C 90 171.786 171.786 173.971 -2.185 25240 3090 1 4 . 1 1 90 90 PHE CA C 90 55.189 55.189 54.735 0.454 25240 3091 1 4 . 1 1 90 90 PHE CB C 90 43.286 43.286 41.759 1.527 25240 3092 1 4 . 1 1 90 90 PHE H H 90 8.465 8.465 7.692 0.773 25240 3093 1 4 . 1 1 91 91 LEU N N 91 121.719 121.719 123.606 -1.887 25240 3094 1 4 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.501 0.004 25240 3095 1 4 . 1 1 91 91 LEU C C 91 174.449 174.449 176.093 -1.644 25240 3096 1 4 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.293 -0.393 25240 3097 1 4 . 1 1 91 91 LEU CB C 91 47.177 47.177 46.078 1.099 25240 3098 1 4 . 1 1 91 91 LEU H H 91 8.437 8.437 9.260 -0.823 25240 3099 1 4 . 1 1 92 92 MET N N 92 126.389 126.389 123.010 3.379 25240 3100 1 4 . 1 1 92 92 MET HA H 92 6.176 6.176 5.974 0.202 25240 3101 1 4 . 1 1 92 92 MET C C 92 176.169 176.169 175.263 0.906 25240 3102 1 4 . 1 1 92 92 MET CA C 92 53.015 53.015 53.544 -0.529 25240 3103 1 4 . 1 1 92 92 MET CB C 92 39.623 39.623 35.131 4.492 25240 3104 1 4 . 1 1 92 92 MET H H 92 10.273 10.273 8.473 1.800 25240 3105 1 4 . 1 1 93 93 SER N N 93 120.841 120.841 119.674 1.167 25240 3106 1 4 . 1 1 93 93 SER HA H 93 4.885 4.885 5.127 -0.242 25240 3107 1 4 . 1 1 93 93 SER C C 93 172.225 172.225 173.877 -1.652 25240 3108 1 4 . 1 1 93 93 SER CA C 93 56.563 56.563 58.743 -2.180 25240 3109 1 4 . 1 1 93 93 SER CB C 93 63.545 63.545 64.192 -0.647 25240 3110 1 4 . 1 1 93 93 SER H H 93 9.038 9.038 9.160 -0.122 25240 3111 1 4 . 1 1 94 94 TRP N N 94 129.918 129.918 130.370 -0.452 25240 3112 1 4 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.130 0.017 25240 3113 1 4 . 1 1 94 94 TRP C C 94 173.270 173.270 174.644 -1.374 25240 3114 1 4 . 1 1 94 94 TRP CA C 94 54.961 54.961 56.624 -1.663 25240 3115 1 4 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.951 0.744 25240 3116 1 4 . 1 1 94 94 TRP H H 94 9.001 9.001 8.973 0.028 25240 3117 1 4 . 1 1 95 95 CYS N N 95 122.538 122.538 124.087 -1.549 25240 3118 1 4 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.999 -0.178 25240 3119 1 4 . 1 1 95 95 CYS CA C 95 53.813 53.813 55.675 -1.863 25240 3120 1 4 . 1 1 95 95 CYS H H 95 7.319 7.319 8.570 -1.251 25240 3121 1 4 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.400 -0.581 25240 3122 1 4 . 1 1 96 96 PRO C C 96 177.888 177.888 177.325 0.563 25240 3123 1 4 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.163 -1.335 25240 3124 1 4 . 1 1 96 96 PRO CB C 96 31.840 31.840 31.923 -0.083 25240 3125 1 4 . 1 1 97 97 ASP N N 97 118.960 118.960 123.596 -4.636 25240 3126 1 4 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.362 -0.304 25240 3127 1 4 . 1 1 97 97 ASP C C 97 176.809 176.809 176.348 0.461 25240 3128 1 4 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.441 0.465 25240 3129 1 4 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.789 0.093 25240 3130 1 4 . 1 1 97 97 ASP H H 97 8.040 8.040 8.675 -0.635 25240 3131 1 4 . 1 1 98 98 THR N N 98 104.267 104.267 111.808 -7.541 25240 3132 1 4 . 1 1 98 98 THR HA H 98 3.856 3.856 4.309 -0.453 25240 3133 1 4 . 1 1 98 98 THR C C 98 174.921 174.921 174.313 0.608 25240 3134 1 4 . 1 1 98 98 THR CA C 98 61.599 61.599 61.516 0.083 25240 3135 1 4 . 1 1 98 98 THR CB C 98 68.925 68.925 68.803 0.122 25240 3136 1 4 . 1 1 98 98 THR H H 98 6.917 6.917 7.905 -0.988 25240 3137 1 4 . 1 1 99 99 ALA N N 99 125.807 125.807 123.404 2.403 25240 3138 1 4 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.444 -0.428 25240 3139 1 4 . 1 1 99 99 ALA C C 99 177.045 177.045 176.343 0.702 25240 3140 1 4 . 1 1 99 99 ALA CA C 99 52.099 52.099 50.982 1.117 25240 3141 1 4 . 1 1 99 99 ALA CB C 99 19.020 19.020 20.133 -1.113 25240 3142 1 4 . 1 1 99 99 ALA H H 99 7.496 7.496 7.175 0.321 25240 3143 1 4 . 1 1 100 100 LYS N N 100 119.465 119.465 121.289 -1.824 25240 3144 1 4 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.169 -0.084 25240 3145 1 4 . 1 1 100 100 LYS C C 100 178.832 178.832 177.938 0.894 25240 3146 1 4 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.489 -0.155 25240 3147 1 4 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.937 -0.410 25240 3148 1 4 . 1 1 100 100 LYS H H 100 8.271 8.271 8.567 -0.296 25240 3149 1 4 . 1 1 101 101 VAL N N 101 123.351 123.351 125.693 -2.342 25240 3150 1 4 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.700 -0.303 25240 3151 1 4 . 1 1 101 101 VAL C C 101 177.584 177.584 177.708 -0.124 25240 3152 1 4 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.649 1.330 25240 3153 1 4 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.529 -0.033 25240 3154 1 4 . 1 1 101 101 VAL H H 101 8.518 8.518 8.617 -0.099 25240 3155 1 4 . 1 1 102 102 LYS N N 102 118.249 118.249 119.421 -1.172 25240 3156 1 4 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.087 -0.156 25240 3157 1 4 . 1 1 102 102 LYS C C 102 179.540 179.540 178.997 0.543 25240 3158 1 4 . 1 1 102 102 LYS CA C 102 59.882 59.882 58.930 0.952 25240 3159 1 4 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.519 0.779 25240 3160 1 4 . 1 1 102 102 LYS H H 102 8.558 8.558 8.447 0.111 25240 3161 1 4 . 1 1 103 103 LYS N N 103 118.668 118.668 119.386 -0.718 25240 3162 1 4 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.173 -0.055 25240 3163 1 4 . 1 1 103 103 LYS C C 103 177.921 177.921 179.163 -1.242 25240 3164 1 4 . 1 1 103 103 LYS CA C 103 58.394 58.394 58.978 -0.584 25240 3165 1 4 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.595 -0.755 25240 3166 1 4 . 1 1 103 103 LYS H H 103 6.854 6.854 7.924 -1.070 25240 3167 1 4 . 1 1 104 104 LYS N N 104 119.199 119.199 119.406 -0.207 25240 3168 1 4 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.163 -0.269 25240 3169 1 4 . 1 1 104 104 LYS C C 104 180.011 180.011 178.723 1.288 25240 3170 1 4 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.499 2.185 25240 3171 1 4 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.795 -0.070 25240 3172 1 4 . 1 1 104 104 LYS H H 104 8.048 8.048 7.902 0.146 25240 3173 1 4 . 1 1 105 105 MET N N 105 118.021 118.021 118.983 -0.962 25240 3174 1 4 . 1 1 105 105 MET HA H 105 4.121 4.121 4.470 -0.349 25240 3175 1 4 . 1 1 105 105 MET C C 105 178.899 178.899 177.494 1.405 25240 3176 1 4 . 1 1 105 105 MET CA C 105 58.509 58.509 56.258 2.251 25240 3177 1 4 . 1 1 105 105 MET CB C 105 32.069 32.069 32.668 -0.599 25240 3178 1 4 . 1 1 105 105 MET H H 105 8.546 8.546 7.809 0.737 25240 3179 1 4 . 1 1 106 106 LEU N N 106 122.895 122.895 119.902 2.993 25240 3180 1 4 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.001 0.035 25240 3181 1 4 . 1 1 106 106 LEU C C 106 179.910 179.910 178.902 1.008 25240 3182 1 4 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.288 0.878 25240 3183 1 4 . 1 1 106 106 LEU CB C 106 41.912 41.912 40.865 1.047 25240 3184 1 4 . 1 1 106 106 LEU H H 106 7.674 7.674 7.619 0.055 25240 3185 1 4 . 1 1 107 107 TYR N N 107 119.036 119.036 119.650 -0.614 25240 3186 1 4 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.568 -0.534 25240 3187 1 4 . 1 1 107 107 TYR C C 107 181.360 181.360 177.322 4.038 25240 3188 1 4 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.140 0.772 25240 3189 1 4 . 1 1 107 107 TYR CB C 107 37.677 37.677 38.041 -0.364 25240 3190 1 4 . 1 1 107 107 TYR H H 107 8.669 8.669 8.068 0.601 25240 3191 1 4 . 1 1 108 108 SER N N 108 118.372 118.372 113.958 4.414 25240 3192 1 4 . 1 1 108 108 SER HA H 108 4.324 4.324 3.412 0.912 25240 3193 1 4 . 1 1 108 108 SER C C 108 178.023 178.023 176.085 1.938 25240 3194 1 4 . 1 1 108 108 SER CA C 108 62.286 62.286 62.063 0.223 25240 3195 1 4 . 1 1 108 108 SER CB C 108 63.545 63.545 62.686 0.859 25240 3196 1 4 . 1 1 108 108 SER H H 108 8.973 8.973 7.683 1.290 25240 3197 1 4 . 1 1 109 109 SER N N 109 116.727 116.727 116.232 0.495 25240 3198 1 4 . 1 1 109 109 SER HA H 109 4.292 4.292 4.341 -0.049 25240 3199 1 4 . 1 1 109 109 SER C C 109 176.405 176.405 176.321 0.084 25240 3200 1 4 . 1 1 109 109 SER CA C 109 61.370 61.370 60.761 0.609 25240 3201 1 4 . 1 1 109 109 SER CB C 109 63.202 63.202 63.450 -0.248 25240 3202 1 4 . 1 1 109 109 SER H H 109 8.353 8.353 7.594 0.759 25240 3203 1 4 . 1 1 110 110 SER N N 110 115.229 115.229 118.094 -2.865 25240 3204 1 4 . 1 1 110 110 SER HA H 110 4.549 4.549 4.106 0.443 25240 3205 1 4 . 1 1 110 110 SER C C 110 172.899 172.899 175.937 -3.038 25240 3206 1 4 . 1 1 110 110 SER CA C 110 59.424 59.424 61.001 -1.577 25240 3207 1 4 . 1 1 110 110 SER CB C 110 62.973 62.973 62.772 0.202 25240 3208 1 4 . 1 1 110 110 SER H H 110 7.236 7.236 7.473 -0.237 25240 3209 1 4 . 1 1 111 111 PHE N N 111 120.978 120.978 123.272 -2.294 25240 3210 1 4 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.731 0.284 25240 3211 1 4 . 1 1 111 111 PHE C C 111 177.483 177.483 176.829 0.654 25240 3212 1 4 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.955 -4.247 25240 3213 1 4 . 1 1 111 111 PHE CB C 111 38.364 38.364 38.689 -0.325 25240 3214 1 4 . 1 1 111 111 PHE H H 111 7.069 7.069 8.233 -1.164 25240 3215 1 4 . 1 1 112 112 ASP N N 112 116.485 116.485 118.264 -1.779 25240 3216 1 4 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.107 -0.354 25240 3217 1 4 . 1 1 112 112 ASP C C 112 177.281 177.281 177.594 -0.313 25240 3218 1 4 . 1 1 112 112 ASP CA C 112 57.479 57.479 55.912 1.567 25240 3219 1 4 . 1 1 112 112 ASP CB C 112 40.424 40.424 40.791 -0.367 25240 3220 1 4 . 1 1 112 112 ASP H H 112 8.305 8.305 7.899 0.406 25240 3221 1 4 . 1 1 113 113 ALA N N 113 121.059 121.059 122.188 -1.129 25240 3222 1 4 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.924 -0.171 25240 3223 1 4 . 1 1 113 113 ALA C C 113 180.416 180.416 179.325 1.091 25240 3224 1 4 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.873 -0.027 25240 3225 1 4 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.675 -1.600 25240 3226 1 4 . 1 1 113 113 ALA H H 113 7.393 7.393 7.225 0.168 25240 3227 1 4 . 1 1 114 114 LEU N N 114 118.535 118.535 114.896 3.639 25240 3228 1 4 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.954 -0.322 25240 3229 1 4 . 1 1 114 114 LEU C C 114 178.191 178.191 178.021 0.170 25240 3230 1 4 . 1 1 114 114 LEU CA C 114 56.906 56.906 57.087 -0.182 25240 3231 1 4 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.515 0.825 25240 3232 1 4 . 1 1 114 114 LEU H H 114 6.647 6.647 7.658 -1.011 25240 3233 1 4 . 1 1 115 115 LYS N N 115 117.340 117.340 117.933 -0.593 25240 3234 1 4 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.766 -0.537 25240 3235 1 4 . 1 1 115 115 LYS C C 115 179.877 179.877 177.945 1.932 25240 3236 1 4 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.080 0.344 25240 3237 1 4 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.577 0.377 25240 3238 1 4 . 1 1 115 115 LYS H H 115 7.730 7.730 7.422 0.308 25240 3239 1 4 . 1 1 116 116 LYS N N 116 116.144 116.144 117.777 -1.633 25240 3240 1 4 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.016 -0.316 25240 3241 1 4 . 1 1 116 116 LYS C C 116 177.652 177.652 178.258 -0.606 25240 3242 1 4 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.544 -0.150 25240 3243 1 4 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.189 0.338 25240 3244 1 4 . 1 1 116 116 LYS H H 116 7.714 7.714 7.211 0.503 25240 3245 1 4 . 1 1 117 117 SER N N 117 111.789 111.789 114.736 -2.947 25240 3246 1 4 . 1 1 117 117 SER HA H 117 4.179 4.179 4.218 -0.039 25240 3247 1 4 . 1 1 117 117 SER C C 117 174.483 174.483 175.829 -1.346 25240 3248 1 4 . 1 1 117 117 SER CA C 117 60.912 60.912 60.663 0.249 25240 3249 1 4 . 1 1 117 117 SER CB C 117 64.232 64.232 64.167 0.065 25240 3250 1 4 . 1 1 117 117 SER H H 117 6.957 6.957 7.460 -0.502 25240 3251 1 4 . 1 1 118 118 LEU N N 118 122.293 122.293 120.031 2.262 25240 3252 1 4 . 1 1 118 118 LEU HA H 118 3.922 3.922 3.593 0.329 25240 3253 1 4 . 1 1 118 118 LEU C C 118 175.730 175.730 175.047 0.683 25240 3254 1 4 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.505 -1.291 25240 3255 1 4 . 1 1 118 118 LEU CB C 118 37.448 37.448 39.466 -2.018 25240 3256 1 4 . 1 1 118 118 LEU H H 118 6.997 6.997 7.957 -0.960 25240 3257 1 4 . 1 1 119 119 VAL N N 119 121.059 121.059 121.442 -0.383 25240 3258 1 4 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.999 -0.372 25240 3259 1 4 . 1 1 119 119 VAL C C 119 178.697 178.697 176.908 1.789 25240 3260 1 4 . 1 1 119 119 VAL CA C 119 64.919 64.919 63.331 1.589 25240 3261 1 4 . 1 1 119 119 VAL CB C 119 31.382 31.382 33.133 -1.752 25240 3262 1 4 . 1 1 119 119 VAL H H 119 7.347 7.347 7.462 -0.115 25240 3263 1 4 . 1 1 120 120 GLY N N 120 117.377 117.377 116.192 1.185 25240 3264 1 4 . 1 1 120 120 GLY C C 120 174.517 174.517 174.124 0.393 25240 3265 1 4 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.742 0.145 25240 3266 1 4 . 1 1 120 120 GLY H H 120 9.077 9.077 8.736 0.341 25240 3267 1 4 . 1 1 121 121 VAL N N 121 122.254 122.254 122.627 -0.373 25240 3268 1 4 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.923 -0.161 25240 3269 1 4 . 1 1 121 121 VAL C C 121 175.966 175.966 176.635 -0.669 25240 3270 1 4 . 1 1 121 121 VAL CA C 121 64.117 64.117 63.692 0.425 25240 3271 1 4 . 1 1 121 121 VAL CB C 121 31.611 31.611 30.038 1.573 25240 3272 1 4 . 1 1 121 121 VAL H H 121 7.316 7.316 7.589 -0.273 25240 3273 1 4 . 1 1 122 122 GLN N N 122 123.484 123.484 127.107 -3.623 25240 3274 1 4 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.351 -0.098 25240 3275 1 4 . 1 1 122 122 GLN C C 122 174.854 174.854 176.047 -1.193 25240 3276 1 4 . 1 1 122 122 GLN CA C 122 56.105 56.105 57.565 -1.460 25240 3277 1 4 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.907 1.132 25240 3278 1 4 . 1 1 122 122 GLN H H 122 8.678 8.678 8.776 -0.098 25240 3279 1 4 . 1 1 123 123 LYS N N 123 117.871 117.871 118.426 -0.555 25240 3280 1 4 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.541 -0.231 25240 3281 1 4 . 1 1 123 123 LYS C C 123 173.000 173.000 174.165 -1.165 25240 3282 1 4 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.605 -2.247 25240 3283 1 4 . 1 1 123 123 LYS CB C 123 34.816 34.816 35.873 -1.057 25240 3284 1 4 . 1 1 123 123 LYS H H 123 6.726 6.726 7.708 -0.982 25240 3285 1 4 . 1 1 124 124 TYR N N 124 123.352 123.352 120.970 2.382 25240 3286 1 4 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.729 0.170 25240 3287 1 4 . 1 1 124 124 TYR C C 124 175.663 175.663 174.208 1.455 25240 3288 1 4 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.731 -0.885 25240 3289 1 4 . 1 1 124 124 TYR CB C 124 40.424 40.424 41.173 -0.749 25240 3290 1 4 . 1 1 124 124 TYR H H 124 8.441 8.441 7.964 0.477 25240 3291 1 4 . 1 1 125 125 ILE N N 125 122.835 122.835 122.935 -0.100 25240 3292 1 4 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.722 -0.320 25240 3293 1 4 . 1 1 125 125 ILE C C 125 174.348 174.348 174.225 0.123 25240 3294 1 4 . 1 1 125 125 ILE CA C 125 59.882 59.882 60.086 -0.204 25240 3295 1 4 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.473 -0.217 25240 3296 1 4 . 1 1 125 125 ILE H H 125 9.123 9.123 8.956 0.167 25240 3297 1 4 . 1 1 126 126 GLN N N 126 126.869 126.869 128.624 -1.755 25240 3298 1 4 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.681 0.196 25240 3299 1 4 . 1 1 126 126 GLN C C 126 174.146 174.146 174.304 -0.158 25240 3300 1 4 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.514 -0.439 25240 3301 1 4 . 1 1 126 126 GLN CB C 126 29.551 29.551 29.906 -0.355 25240 3302 1 4 . 1 1 126 126 GLN H H 126 8.916 8.916 8.737 0.179 25240 3303 1 4 . 1 1 127 127 ALA N N 127 127.414 127.414 129.691 -2.277 25240 3304 1 4 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.735 0.228 25240 3305 1 4 . 1 1 127 127 ALA C C 127 176.539 176.539 176.953 -0.414 25240 3306 1 4 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.992 -0.038 25240 3307 1 4 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.621 1.261 25240 3308 1 4 . 1 1 127 127 ALA H H 127 8.829 8.829 9.084 -0.255 25240 3309 1 4 . 1 1 128 128 THR N N 128 112.753 112.753 115.442 -2.689 25240 3310 1 4 . 1 1 128 128 THR HA H 128 3.994 3.994 4.355 -0.361 25240 3311 1 4 . 1 1 128 128 THR C C 128 172.933 172.933 173.910 -0.977 25240 3312 1 4 . 1 1 128 128 THR CA C 128 60.912 60.912 62.431 -1.519 25240 3313 1 4 . 1 1 128 128 THR CB C 128 70.527 70.527 69.179 1.348 25240 3314 1 4 . 1 1 128 128 THR H H 128 9.350 9.350 8.728 0.622 25240 3315 1 4 . 1 1 129 129 ASP N N 129 118.551 118.551 116.524 2.027 25240 3316 1 4 . 1 1 129 129 ASP HA H 129 4.578 4.578 3.990 0.588 25240 3317 1 4 . 1 1 129 129 ASP C C 129 176.573 176.573 175.528 1.045 25240 3318 1 4 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.945 0.070 25240 3319 1 4 . 1 1 129 129 ASP CB C 129 43.744 43.744 41.572 2.172 25240 3320 1 4 . 1 1 129 129 ASP H H 129 7.602 7.602 7.411 0.191 25240 3321 1 4 . 1 1 130 130 LEU N N 130 122.387 122.387 119.765 2.622 25240 3322 1 4 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.569 -0.592 25240 3323 1 4 . 1 1 130 130 LEU C C 130 179.202 179.202 177.771 1.431 25240 3324 1 4 . 1 1 130 130 LEU CA C 130 58.051 58.051 56.971 1.080 25240 3325 1 4 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.177 -0.608 25240 3326 1 4 . 1 1 130 130 LEU H H 130 8.910 8.910 8.354 0.556 25240 3327 1 4 . 1 1 131 131 SER N N 131 116.410 116.410 112.819 3.591 25240 3328 1 4 . 1 1 131 131 SER HA H 131 3.856 3.856 4.275 -0.419 25240 3329 1 4 . 1 1 131 131 SER C C 131 177.180 177.180 176.932 0.248 25240 3330 1 4 . 1 1 131 131 SER CA C 131 62.515 62.515 61.544 0.971 25240 3331 1 4 . 1 1 131 131 SER CB C 131 68.352 68.352 63.127 5.224 25240 3332 1 4 . 1 1 131 131 SER H H 131 8.645 8.645 8.608 0.037 25240 3333 1 4 . 1 1 132 132 GLU N N 132 120.840 120.840 119.677 1.163 25240 3334 1 4 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.359 -0.289 25240 3335 1 4 . 1 1 132 132 GLU C C 132 175.427 175.427 176.715 -1.288 25240 3336 1 4 . 1 1 132 132 GLU CA C 132 57.021 57.021 56.730 0.291 25240 3337 1 4 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.653 1.386 25240 3338 1 4 . 1 1 132 132 GLU H H 132 7.749 7.749 7.790 -0.041 25240 3339 1 4 . 1 1 133 133 ALA N N 133 117.182 117.182 120.469 -3.287 25240 3340 1 4 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.712 -0.360 25240 3341 1 4 . 1 1 133 133 ALA C C 133 175.730 175.730 177.102 -1.372 25240 3342 1 4 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.500 -1.118 25240 3343 1 4 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.629 0.650 25240 3344 1 4 . 1 1 133 133 ALA H H 133 7.347 7.347 7.382 -0.035 25240 3345 1 4 . 1 1 134 134 SER N N 134 115.197 115.197 115.251 -0.054 25240 3346 1 4 . 1 1 134 134 SER HA H 134 4.185 4.185 4.445 -0.260 25240 3347 1 4 . 1 1 134 134 SER C C 134 173.067 173.067 176.106 -3.039 25240 3348 1 4 . 1 1 134 134 SER CA C 134 58.509 58.509 57.073 1.436 25240 3349 1 4 . 1 1 134 134 SER CB C 134 64.690 64.690 64.111 0.579 25240 3350 1 4 . 1 1 134 134 SER H H 134 7.061 7.061 7.464 -0.403 25240 3351 1 4 . 1 1 135 135 ARG N N 135 122.190 122.190 126.320 -4.130 25240 3352 1 4 . 1 1 135 135 ARG HA H 135 4.185 4.185 4.032 0.153 25240 3353 1 4 . 1 1 135 135 ARG C C 135 177.888 177.888 177.992 -0.104 25240 3354 1 4 . 1 1 135 135 ARG CA C 135 60.111 60.111 58.791 1.320 25240 3355 1 4 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.873 -0.323 25240 3356 1 4 . 1 1 135 135 ARG H H 135 8.961 8.961 8.979 -0.018 25240 3357 1 4 . 1 1 136 136 GLU N N 136 115.480 115.480 120.480 -5.000 25240 3358 1 4 . 1 1 136 136 GLU HA H 136 3.795 3.795 3.997 -0.202 25240 3359 1 4 . 1 1 136 136 GLU C C 136 178.865 178.865 177.962 0.903 25240 3360 1 4 . 1 1 136 136 GLU CA C 136 59.997 59.997 59.079 0.918 25240 3361 1 4 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.533 -0.784 25240 3362 1 4 . 1 1 136 136 GLU H H 136 8.588 8.588 7.711 0.877 25240 3363 1 4 . 1 1 137 137 ALA N N 137 123.947 123.947 122.065 1.882 25240 3364 1 4 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.160 -0.238 25240 3365 1 4 . 1 1 137 137 ALA C C 137 181.191 181.191 179.935 1.256 25240 3366 1 4 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.747 0.099 25240 3367 1 4 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.074 0.260 25240 3368 1 4 . 1 1 137 137 ALA H H 137 7.578 7.578 7.427 0.151 25240 3369 1 4 . 1 1 138 138 VAL N N 138 119.326 119.326 117.614 1.712 25240 3370 1 4 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.586 0.319 25240 3371 1 4 . 1 1 138 138 VAL C C 138 177.584 177.584 177.861 -0.277 25240 3372 1 4 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.538 0.097 25240 3373 1 4 . 1 1 138 138 VAL CB C 138 31.039 31.039 30.894 0.145 25240 3374 1 4 . 1 1 138 138 VAL H H 138 8.108 8.108 8.323 -0.215 25240 3375 1 4 . 1 1 139 139 GLU N N 139 119.418 119.418 120.120 -0.702 25240 3376 1 4 . 1 1 139 139 GLU HA H 139 4.071 4.071 4.018 0.053 25240 3377 1 4 . 1 1 139 139 GLU C C 139 178.157 178.157 178.292 -0.135 25240 3378 1 4 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.679 0.890 25240 3379 1 4 . 1 1 139 139 GLU CB C 139 29.093 29.093 29.242 -0.149 25240 3380 1 4 . 1 1 139 139 GLU H H 139 8.248 8.248 7.622 0.626 25240 3381 1 4 . 1 1 140 140 GLU N N 140 116.410 116.410 117.528 -1.118 25240 3382 1 4 . 1 1 140 140 GLU HA H 140 3.731 3.731 4.006 -0.275 25240 3383 1 4 . 1 1 140 140 GLU C C 140 179.202 179.202 179.155 0.047 25240 3384 1 4 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.829 0.595 25240 3385 1 4 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.372 -0.279 25240 3386 1 4 . 1 1 140 140 GLU H H 140 7.305 7.305 7.842 -0.537 25240 3387 1 4 . 1 1 141 141 LYS N N 141 118.210 118.210 118.267 -0.057 25240 3388 1 4 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.101 -0.171 25240 3389 1 4 . 1 1 141 141 LYS C C 141 179.607 179.607 178.236 1.371 25240 3390 1 4 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.122 0.272 25240 3391 1 4 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.260 -0.077 25240 3392 1 4 . 1 1 141 141 LYS H H 141 7.292 7.292 7.637 -0.345 25240 3393 1 4 . 1 1 142 142 LEU N N 142 119.472 119.472 116.761 2.711 25240 3394 1 4 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.069 -0.389 25240 3395 1 4 . 1 1 142 142 LEU C C 142 178.663 178.663 178.147 0.516 25240 3396 1 4 . 1 1 142 142 LEU CA C 142 57.364 57.364 56.213 1.151 25240 3397 1 4 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.599 -1.175 25240 3398 1 4 . 1 1 142 142 LEU H H 142 8.112 8.112 7.619 0.493 25240 3399 1 4 . 1 1 143 143 ARG N N 143 117.384 117.384 118.313 -0.929 25240 3400 1 4 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.569 -0.609 25240 3401 1 4 . 1 1 143 143 ARG C C 143 177.989 177.989 178.365 -0.376 25240 3402 1 4 . 1 1 143 143 ARG CA C 143 58.051 58.051 57.956 0.095 25240 3403 1 4 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.462 1.233 25240 3404 1 4 . 1 1 143 143 ARG H H 143 7.832 7.832 8.747 -0.915 25240 3405 1 4 . 1 1 144 144 ALA N N 144 121.192 121.192 121.416 -0.224 25240 3406 1 4 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.224 -0.143 25240 3407 1 4 . 1 1 144 144 ALA C C 144 178.697 178.697 177.567 1.130 25240 3408 1 4 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.806 0.124 25240 3409 1 4 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.206 0.585 25240 3410 1 4 . 1 1 144 144 ALA H H 144 7.284 7.284 7.640 -0.356 25240 3411 1 4 . 1 1 145 145 THR N N 145 109.503 109.503 111.162 -1.659 25240 3412 1 4 . 1 1 145 145 THR HA H 145 4.270 4.270 4.449 -0.179 25240 3413 1 4 . 1 1 145 145 THR C C 145 174.787 174.787 173.974 0.813 25240 3414 1 4 . 1 1 145 145 THR CA C 145 61.828 61.828 61.641 0.187 25240 3415 1 4 . 1 1 145 145 THR CB C 145 68.925 68.925 69.065 -0.140 25240 3416 1 4 . 1 1 145 145 THR H H 145 7.690 7.690 7.455 0.235 25240 3417 1 4 . 1 1 146 146 ASP N N 146 122.786 122.786 123.064 -0.278 25240 3418 1 4 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.856 -0.312 25240 3419 1 4 . 1 1 146 146 ASP C C 146 176.000 176.000 175.298 0.702 25240 3420 1 4 . 1 1 146 146 ASP CA C 146 54.732 54.732 53.881 0.851 25240 3421 1 4 . 1 1 146 146 ASP CB C 146 41.111 41.111 41.903 -0.792 25240 3422 1 4 . 1 1 146 146 ASP H H 146 7.873 7.873 7.883 -0.010 25240 3423 1 4 . 1 1 147 147 ARG N N 147 120.926 120.926 121.144 -0.218 25240 3424 1 4 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.588 -0.318 25240 3425 1 4 . 1 1 147 147 ARG C C 147 175.427 175.427 175.553 -0.126 25240 3426 1 4 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.805 0.300 25240 3427 1 4 . 1 1 147 147 ARG CB C 147 30.695 30.695 31.641 -0.946 25240 3428 1 4 . 1 1 147 147 ARG H H 147 8.048 8.048 8.518 -0.470 25240 3429 1 5 . 1 1 2 2 ALA N N 2 126.020 126.020 123.962 2.058 25240 3430 1 5 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.600 -0.393 25240 3431 1 5 . 1 1 2 2 ALA C C 2 177.605 177.605 176.857 0.748 25240 3432 1 5 . 1 1 2 2 ALA CA C 2 52.442 52.442 51.780 0.662 25240 3433 1 5 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.371 -0.236 25240 3434 1 5 . 1 1 2 2 ALA H H 2 8.306 8.306 8.568 -0.262 25240 3435 1 5 . 1 1 3 3 SER N N 3 115.214 115.214 118.131 -2.917 25240 3436 1 5 . 1 1 3 3 SER HA H 3 4.282 4.282 4.244 0.038 25240 3437 1 5 . 1 1 3 3 SER C C 3 174.965 174.965 175.504 -0.539 25240 3438 1 5 . 1 1 3 3 SER CA C 3 58.165 58.165 59.564 -1.399 25240 3439 1 5 . 1 1 3 3 SER CB C 3 64.003 64.003 63.300 0.703 25240 3440 1 5 . 1 1 3 3 SER H H 3 8.183 8.183 8.722 -0.539 25240 3441 1 5 . 1 1 4 4 GLY N N 4 110.858 110.858 110.913 -0.055 25240 3442 1 5 . 1 1 4 4 GLY C C 4 173.716 173.716 173.475 0.241 25240 3443 1 5 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.255 0.747 25240 3444 1 5 . 1 1 4 4 GLY H H 4 8.279 8.279 7.942 0.337 25240 3445 1 5 . 1 1 5 5 VAL N N 5 119.961 119.961 125.469 -5.508 25240 3446 1 5 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.182 -0.054 25240 3447 1 5 . 1 1 5 5 VAL C C 5 176.275 176.275 176.167 0.108 25240 3448 1 5 . 1 1 5 5 VAL CA C 5 62.172 62.172 61.481 0.691 25240 3449 1 5 . 1 1 5 5 VAL CB C 5 32.641 32.641 32.447 0.194 25240 3450 1 5 . 1 1 5 5 VAL H H 5 7.672 7.672 7.663 0.009 25240 3451 1 5 . 1 1 6 6 THR N N 6 115.480 115.480 121.497 -6.017 25240 3452 1 5 . 1 1 6 6 THR HA H 6 4.487 4.487 4.529 -0.042 25240 3453 1 5 . 1 1 6 6 THR C C 6 173.252 173.252 173.175 0.077 25240 3454 1 5 . 1 1 6 6 THR CA C 6 59.882 59.882 61.609 -1.727 25240 3455 1 5 . 1 1 6 6 THR CB C 6 71.328 71.328 70.146 1.182 25240 3456 1 5 . 1 1 6 6 THR H H 6 7.756 7.756 8.169 -0.413 25240 3457 1 5 . 1 1 7 7 VAL N N 7 120.262 120.262 126.113 -5.851 25240 3458 1 5 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.079 0.000 25240 3459 1 5 . 1 1 7 7 VAL C C 7 176.215 176.215 175.658 0.557 25240 3460 1 5 . 1 1 7 7 VAL CA C 7 62.057 62.057 62.284 -0.227 25240 3461 1 5 . 1 1 7 7 VAL CB C 7 33.557 33.557 31.857 1.700 25240 3462 1 5 . 1 1 7 7 VAL H H 7 8.447 8.447 8.517 -0.070 25240 3463 1 5 . 1 1 8 8 SER N N 8 124.247 124.247 122.987 1.260 25240 3464 1 5 . 1 1 8 8 SER HA H 8 4.271 4.271 4.532 -0.261 25240 3465 1 5 . 1 1 8 8 SER C C 8 175.892 175.892 175.049 0.843 25240 3466 1 5 . 1 1 8 8 SER CA C 8 58.738 58.738 57.749 0.989 25240 3467 1 5 . 1 1 8 8 SER CB C 8 64.003 64.003 64.448 -0.445 25240 3468 1 5 . 1 1 8 8 SER H H 8 8.816 8.816 8.233 0.583 25240 3469 1 5 . 1 1 9 9 ASP N N 9 125.176 125.176 121.948 3.228 25240 3470 1 5 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.450 -0.141 25240 3471 1 5 . 1 1 9 9 ASP C C 9 178.492 178.492 178.275 0.217 25240 3472 1 5 . 1 1 9 9 ASP CA C 9 57.937 57.937 57.453 0.484 25240 3473 1 5 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.873 -0.678 25240 3474 1 5 . 1 1 9 9 ASP H H 9 9.033 9.033 8.891 0.142 25240 3475 1 5 . 1 1 10 10 VAL N N 10 117.738 117.738 119.306 -1.568 25240 3476 1 5 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.750 0.344 25240 3477 1 5 . 1 1 10 10 VAL C C 10 179.439 179.439 177.596 1.843 25240 3478 1 5 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.786 -1.211 25240 3479 1 5 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.606 -0.110 25240 3480 1 5 . 1 1 10 10 VAL H H 10 8.078 8.078 8.194 -0.116 25240 3481 1 5 . 1 1 11 11 CYS N N 11 121.775 121.775 118.341 3.434 25240 3482 1 5 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.475 -0.561 25240 3483 1 5 . 1 1 11 11 CYS C C 11 176.094 176.094 176.716 -0.622 25240 3484 1 5 . 1 1 11 11 CYS CA C 11 63.774 63.774 61.680 2.094 25240 3485 1 5 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.050 -0.018 25240 3486 1 5 . 1 1 11 11 CYS H H 11 7.922 7.922 7.948 -0.026 25240 3487 1 5 . 1 1 12 12 LYS N N 12 117.392 117.392 121.486 -4.094 25240 3488 1 5 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.161 -0.247 25240 3489 1 5 . 1 1 12 12 LYS C C 12 179.097 179.097 178.832 0.265 25240 3490 1 5 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.036 -0.268 25240 3491 1 5 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.716 -0.762 25240 3492 1 5 . 1 1 12 12 LYS H H 12 7.010 7.010 7.809 -0.799 25240 3493 1 5 . 1 1 13 13 THR N N 13 114.683 114.683 111.197 3.486 25240 3494 1 5 . 1 1 13 13 THR HA H 13 3.951 3.951 4.106 -0.155 25240 3495 1 5 . 1 1 13 13 THR C C 13 177.424 177.424 176.755 0.669 25240 3496 1 5 . 1 1 13 13 THR CA C 13 66.063 66.063 66.179 -0.116 25240 3497 1 5 . 1 1 13 13 THR CB C 13 67.666 67.666 68.656 -0.990 25240 3498 1 5 . 1 1 13 13 THR H H 13 8.309 8.309 8.531 -0.222 25240 3499 1 5 . 1 1 14 14 THR N N 14 118.012 118.012 119.315 -1.303 25240 3500 1 5 . 1 1 14 14 THR HA H 14 4.015 4.015 3.852 0.163 25240 3501 1 5 . 1 1 14 14 THR C C 14 176.316 176.316 175.881 0.435 25240 3502 1 5 . 1 1 14 14 THR CA C 14 67.208 67.208 67.671 -0.464 25240 3503 1 5 . 1 1 14 14 THR CB C 14 62.515 62.515 68.556 -6.041 25240 3504 1 5 . 1 1 14 14 THR H H 14 8.138 8.138 7.720 0.418 25240 3505 1 5 . 1 1 15 15 TYR N N 15 120.840 120.840 122.181 -1.341 25240 3506 1 5 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.110 0.027 25240 3507 1 5 . 1 1 15 15 TYR C C 15 177.081 177.081 177.103 -0.022 25240 3508 1 5 . 1 1 15 15 TYR CA C 15 60.684 60.684 60.640 0.044 25240 3509 1 5 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.156 0.208 25240 3510 1 5 . 1 1 15 15 TYR H H 15 7.740 7.740 8.346 -0.606 25240 3511 1 5 . 1 1 16 16 GLU N N 16 120.605 120.605 119.197 1.408 25240 3512 1 5 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.698 -0.163 25240 3513 1 5 . 1 1 16 16 GLU C C 16 178.673 178.673 178.912 -0.239 25240 3514 1 5 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.268 0.729 25240 3515 1 5 . 1 1 16 16 GLU CB C 16 28.749 28.749 28.974 -0.225 25240 3516 1 5 . 1 1 16 16 GLU H H 16 8.182 8.182 8.077 0.105 25240 3517 1 5 . 1 1 17 17 GLU N N 17 117.384 117.384 119.811 -2.427 25240 3518 1 5 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.023 0.098 25240 3519 1 5 . 1 1 17 17 GLU C C 17 179.399 179.399 178.970 0.429 25240 3520 1 5 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.975 -0.123 25240 3521 1 5 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.619 -0.183 25240 3522 1 5 . 1 1 17 17 GLU H H 17 7.839 7.839 7.605 0.234 25240 3523 1 5 . 1 1 18 18 ILE N N 18 118.004 118.004 119.750 -1.746 25240 3524 1 5 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.969 -0.436 25240 3525 1 5 . 1 1 18 18 ILE C C 18 177.081 177.081 176.970 0.111 25240 3526 1 5 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.828 2.464 25240 3527 1 5 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.011 0.466 25240 3528 1 5 . 1 1 18 18 ILE H H 18 7.558 7.558 8.036 -0.478 25240 3529 1 5 . 1 1 19 19 LYS N N 19 121.213 121.213 119.064 2.149 25240 3530 1 5 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.047 -0.398 25240 3531 1 5 . 1 1 19 19 LYS C C 19 176.719 176.719 177.539 -0.820 25240 3532 1 5 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.325 0.756 25240 3533 1 5 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.195 1.018 25240 3534 1 5 . 1 1 19 19 LYS H H 19 8.387 8.387 7.992 0.395 25240 3535 1 5 . 1 1 20 20 LYS N N 20 115.307 115.307 118.306 -2.999 25240 3536 1 5 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.233 -0.112 25240 3537 1 5 . 1 1 20 20 LYS C C 20 178.008 178.008 178.128 -0.120 25240 3538 1 5 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.867 0.070 25240 3539 1 5 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.478 -0.723 25240 3540 1 5 . 1 1 20 20 LYS H H 20 8.608 8.608 7.450 1.158 25240 3541 1 5 . 1 1 21 21 ASP N N 21 113.556 113.556 117.845 -4.289 25240 3542 1 5 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.675 -0.054 25240 3543 1 5 . 1 1 21 21 ASP C C 21 175.147 175.147 175.517 -0.370 25240 3544 1 5 . 1 1 21 21 ASP CA C 21 54.732 54.732 54.060 0.672 25240 3545 1 5 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.909 0.804 25240 3546 1 5 . 1 1 21 21 ASP H H 21 6.395 6.395 8.061 -1.666 25240 3547 1 5 . 1 1 22 22 LYS N N 22 116.543 116.543 114.256 2.287 25240 3548 1 5 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.878 -0.097 25240 3549 1 5 . 1 1 22 22 LYS C C 22 176.900 176.900 176.491 0.409 25240 3550 1 5 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.722 -0.358 25240 3551 1 5 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.294 -1.430 25240 3552 1 5 . 1 1 22 22 LYS H H 22 7.402 7.402 8.040 -0.638 25240 3553 1 5 . 1 1 23 23 LYS N N 23 114.417 114.417 118.171 -3.754 25240 3554 1 5 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.069 -0.515 25240 3555 1 5 . 1 1 23 23 LYS C C 23 175.106 175.106 176.623 -1.517 25240 3556 1 5 . 1 1 23 23 LYS CA C 23 58.623 58.623 56.710 1.913 25240 3557 1 5 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.429 1.585 25240 3558 1 5 . 1 1 23 23 LYS H H 23 7.512 7.512 7.626 -0.114 25240 3559 1 5 . 1 1 24 24 HIS N N 24 108.361 108.361 116.784 -8.423 25240 3560 1 5 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.479 -0.691 25240 3561 1 5 . 1 1 24 24 HIS C C 24 175.308 175.308 174.897 0.411 25240 3562 1 5 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.755 -4.457 25240 3563 1 5 . 1 1 24 24 HIS CB C 24 32.412 32.412 28.782 3.630 25240 3564 1 5 . 1 1 24 24 HIS H H 24 6.099 6.099 8.100 -2.001 25240 3565 1 5 . 1 1 25 25 ARG N N 25 120.707 120.707 123.737 -3.030 25240 3566 1 5 . 1 1 25 25 ARG HA H 25 4.108 4.108 3.947 0.161 25240 3567 1 5 . 1 1 25 25 ARG C C 25 173.091 173.091 175.071 -1.980 25240 3568 1 5 . 1 1 25 25 ARG CA C 25 55.189 55.189 57.468 -2.279 25240 3569 1 5 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.163 -0.582 25240 3570 1 5 . 1 1 25 25 ARG H H 25 8.066 8.066 7.875 0.191 25240 3571 1 5 . 1 1 26 26 TYR N N 26 106.634 106.634 110.205 -3.571 25240 3572 1 5 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.190 -0.124 25240 3573 1 5 . 1 1 26 26 TYR C C 26 172.224 172.224 173.113 -0.889 25240 3574 1 5 . 1 1 26 26 TYR CA C 26 54.732 54.732 54.963 -0.231 25240 3575 1 5 . 1 1 26 26 TYR CB C 26 41.111 41.111 41.046 0.065 25240 3576 1 5 . 1 1 26 26 TYR H H 26 6.515 6.515 7.334 -0.819 25240 3577 1 5 . 1 1 27 27 VAL N N 27 116.941 116.941 121.971 -5.030 25240 3578 1 5 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.785 -0.022 25240 3579 1 5 . 1 1 27 27 VAL C C 27 173.514 173.514 173.245 0.269 25240 3580 1 5 . 1 1 27 27 VAL CA C 27 59.310 59.310 59.933 -0.623 25240 3581 1 5 . 1 1 27 27 VAL CB C 27 36.189 36.189 35.593 0.596 25240 3582 1 5 . 1 1 27 27 VAL H H 27 8.843 8.843 8.455 0.388 25240 3583 1 5 . 1 1 28 28 ILE N N 28 125.708 125.708 129.882 -4.174 25240 3584 1 5 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.470 0.571 25240 3585 1 5 . 1 1 28 28 ILE C C 28 175.590 175.590 174.524 1.066 25240 3586 1 5 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.734 -1.340 25240 3587 1 5 . 1 1 28 28 ILE CB C 28 38.135 38.135 39.154 -1.019 25240 3588 1 5 . 1 1 28 28 ILE H H 28 8.915 8.915 9.110 -0.195 25240 3589 1 5 . 1 1 29 29 PHE N N 29 125.649 125.649 126.277 -0.628 25240 3590 1 5 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.273 0.587 25240 3591 1 5 . 1 1 29 29 PHE C C 29 173.958 173.958 174.844 -0.886 25240 3592 1 5 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.465 -0.474 25240 3593 1 5 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.998 1.601 25240 3594 1 5 . 1 1 29 29 PHE H H 29 9.597 9.597 9.219 0.378 25240 3595 1 5 . 1 1 30 30 TYR N N 30 120.134 120.134 120.437 -0.303 25240 3596 1 5 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.782 0.601 25240 3597 1 5 . 1 1 30 30 TYR C C 30 176.840 176.840 173.627 3.213 25240 3598 1 5 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.791 -2.288 25240 3599 1 5 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.636 -1.609 25240 3600 1 5 . 1 1 30 30 TYR H H 30 9.556 9.556 9.314 0.242 25240 3601 1 5 . 1 1 31 31 ILE N N 31 118.577 118.577 121.833 -3.256 25240 3602 1 5 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.244 -0.163 25240 3603 1 5 . 1 1 31 31 ILE C C 31 174.562 174.562 175.187 -0.625 25240 3604 1 5 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.386 1.755 25240 3605 1 5 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.485 -1.380 25240 3606 1 5 . 1 1 31 31 ILE H H 31 8.475 8.475 7.166 1.309 25240 3607 1 5 . 1 1 32 32 ARG N N 32 132.544 132.544 130.495 2.049 25240 3608 1 5 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.569 -0.312 25240 3609 1 5 . 1 1 32 32 ARG C C 32 176.557 176.557 175.459 1.098 25240 3610 1 5 . 1 1 32 32 ARG CA C 32 55.304 55.304 55.895 -0.591 25240 3611 1 5 . 1 1 32 32 ARG CB C 32 31.496 31.496 31.401 0.095 25240 3612 1 5 . 1 1 32 32 ARG H H 32 8.994 8.994 9.143 -0.149 25240 3613 1 5 . 1 1 33 33 ASP N N 33 128.042 128.042 126.322 1.720 25240 3614 1 5 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.258 -0.001 25240 3615 1 5 . 1 1 33 33 ASP C C 33 173.615 173.615 175.669 -2.054 25240 3616 1 5 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.093 -0.217 25240 3617 1 5 . 1 1 33 33 ASP CB C 33 39.966 39.966 39.922 0.044 25240 3618 1 5 . 1 1 33 33 ASP H H 33 9.442 9.442 9.373 0.069 25240 3619 1 5 . 1 1 34 34 GLU N N 34 108.952 108.952 111.774 -2.822 25240 3620 1 5 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.699 0.834 25240 3621 1 5 . 1 1 34 34 GLU C C 34 174.844 174.844 175.027 -0.183 25240 3622 1 5 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.853 0.541 25240 3623 1 5 . 1 1 34 34 GLU CB C 34 27.605 27.605 27.863 -0.258 25240 3624 1 5 . 1 1 34 34 GLU H H 34 8.532 8.532 8.727 -0.195 25240 3625 1 5 . 1 1 35 35 LYS N N 35 114.285 114.285 112.728 1.557 25240 3626 1 5 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.471 0.062 25240 3627 1 5 . 1 1 35 35 LYS C C 35 175.530 175.530 174.153 1.377 25240 3628 1 5 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.539 0.825 25240 3629 1 5 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.167 1.366 25240 3630 1 5 . 1 1 35 35 LYS H H 35 7.911 7.911 7.889 0.022 25240 3631 1 5 . 1 1 36 36 GLN N N 36 118.851 118.851 116.967 1.884 25240 3632 1 5 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.822 0.205 25240 3633 1 5 . 1 1 36 36 GLN C C 36 174.139 174.139 174.028 0.111 25240 3634 1 5 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.876 0.627 25240 3635 1 5 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.719 0.494 25240 3636 1 5 . 1 1 36 36 GLN H H 36 7.483 7.483 7.938 -0.455 25240 3637 1 5 . 1 1 37 37 ILE N N 37 127.682 127.682 120.212 7.470 25240 3638 1 5 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.503 -0.208 25240 3639 1 5 . 1 1 37 37 ILE C C 37 173.333 173.333 175.191 -1.858 25240 3640 1 5 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.559 0.727 25240 3641 1 5 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.634 -0.613 25240 3642 1 5 . 1 1 37 37 ILE H H 37 9.208 9.208 8.921 0.287 25240 3643 1 5 . 1 1 38 38 ASP N N 38 128.702 128.702 126.806 1.896 25240 3644 1 5 . 1 1 38 38 ASP HA H 38 5.037 5.037 5.121 -0.084 25240 3645 1 5 . 1 1 38 38 ASP C C 38 175.147 175.147 174.411 0.736 25240 3646 1 5 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.175 -0.305 25240 3647 1 5 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.493 0.425 25240 3648 1 5 . 1 1 38 38 ASP H H 38 9.380 9.380 8.989 0.391 25240 3649 1 5 . 1 1 39 39 VAL N N 39 122.387 122.387 120.847 1.540 25240 3650 1 5 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.669 -0.802 25240 3651 1 5 . 1 1 39 39 VAL C C 39 175.268 175.268 175.480 -0.212 25240 3652 1 5 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.917 1.971 25240 3653 1 5 . 1 1 39 39 VAL CB C 39 33.671 33.671 35.252 -1.581 25240 3654 1 5 . 1 1 39 39 VAL H H 39 8.769 8.769 8.610 0.159 25240 3655 1 5 . 1 1 40 40 GLU N N 40 128.576 128.576 125.063 3.513 25240 3656 1 5 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.563 -0.296 25240 3657 1 5 . 1 1 40 40 GLU C C 40 175.711 175.711 176.212 -0.501 25240 3658 1 5 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.624 1.084 25240 3659 1 5 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.873 0.882 25240 3660 1 5 . 1 1 40 40 GLU H H 40 9.512 9.512 8.779 0.733 25240 3661 1 5 . 1 1 41 41 THR N N 41 111.962 111.962 118.603 -6.641 25240 3662 1 5 . 1 1 41 41 THR HA H 41 4.423 4.423 4.711 -0.288 25240 3663 1 5 . 1 1 41 41 THR C C 41 171.559 171.559 172.453 -0.894 25240 3664 1 5 . 1 1 41 41 THR CA C 41 61.256 61.256 62.119 -0.863 25240 3665 1 5 . 1 1 41 41 THR CB C 41 71.901 71.901 70.128 1.773 25240 3666 1 5 . 1 1 41 41 THR H H 41 7.277 7.277 7.715 -0.438 25240 3667 1 5 . 1 1 42 42 VAL N N 42 123.660 123.660 121.456 2.204 25240 3668 1 5 . 1 1 42 42 VAL HA H 42 4.243 4.243 5.001 -0.758 25240 3669 1 5 . 1 1 42 42 VAL C C 42 173.877 173.877 174.045 -0.168 25240 3670 1 5 . 1 1 42 42 VAL CA C 42 60.684 60.684 59.733 0.951 25240 3671 1 5 . 1 1 42 42 VAL CB C 42 34.015 34.015 34.973 -0.958 25240 3672 1 5 . 1 1 42 42 VAL H H 42 8.264 8.264 8.530 -0.266 25240 3673 1 5 . 1 1 43 43 ALA N N 43 126.970 126.970 127.144 -0.174 25240 3674 1 5 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.515 -0.079 25240 3675 1 5 . 1 1 43 43 ALA C C 43 176.759 176.759 174.477 2.282 25240 3676 1 5 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.880 -0.727 25240 3677 1 5 . 1 1 43 43 ALA CB C 43 20.737 20.737 21.614 -0.877 25240 3678 1 5 . 1 1 43 43 ALA H H 43 7.420 7.420 7.681 -0.261 25240 3679 1 5 . 1 1 44 44 ASP N N 44 120.831 120.831 118.287 2.544 25240 3680 1 5 . 1 1 44 44 ASP HA H 44 4.575 4.575 5.109 -0.534 25240 3681 1 5 . 1 1 44 44 ASP C C 44 175.771 175.771 177.339 -1.568 25240 3682 1 5 . 1 1 44 44 ASP CA C 44 54.159 54.159 53.156 1.003 25240 3683 1 5 . 1 1 44 44 ASP CB C 44 41.798 41.798 42.286 -0.488 25240 3684 1 5 . 1 1 44 44 ASP H H 44 8.285 8.285 8.300 -0.015 25240 3685 1 5 . 1 1 45 45 ARG N N 45 118.015 118.015 116.844 1.171 25240 3686 1 5 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.250 -0.690 25240 3687 1 5 . 1 1 45 45 ARG C C 45 175.764 175.764 175.885 -0.121 25240 3688 1 5 . 1 1 45 45 ARG CA C 45 56.792 56.792 56.446 0.346 25240 3689 1 5 . 1 1 45 45 ARG CB C 45 30.008 30.008 28.593 1.415 25240 3690 1 5 . 1 1 45 45 ARG H H 45 8.020 8.020 8.444 -0.424 25240 3691 1 5 . 1 1 46 46 ASN N N 46 113.620 113.620 117.160 -3.540 25240 3692 1 5 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.670 -0.016 25240 3693 1 5 . 1 1 46 46 ASN C C 46 175.090 175.090 175.039 0.051 25240 3694 1 5 . 1 1 46 46 ASN CA C 46 52.900 52.900 53.917 -1.017 25240 3695 1 5 . 1 1 46 46 ASN CB C 46 37.792 37.792 39.109 -1.317 25240 3696 1 5 . 1 1 46 46 ASN H H 46 8.184 8.184 7.549 0.635 25240 3697 1 5 . 1 1 47 47 ALA N N 47 124.076 124.076 123.621 0.455 25240 3698 1 5 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.863 -0.656 25240 3699 1 5 . 1 1 47 47 ALA C C 47 176.472 176.472 177.121 -0.649 25240 3700 1 5 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.468 1.547 25240 3701 1 5 . 1 1 47 47 ALA CB C 47 20.966 20.966 19.781 1.185 25240 3702 1 5 . 1 1 47 47 ALA H H 47 7.515 7.515 7.282 0.233 25240 3703 1 5 . 1 1 48 48 GLU N N 48 117.871 117.871 123.829 -5.958 25240 3704 1 5 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.315 0.463 25240 3705 1 5 . 1 1 48 48 GLU C C 48 178.259 178.259 177.112 1.147 25240 3706 1 5 . 1 1 48 48 GLU CA C 48 54.732 54.732 55.124 -0.392 25240 3707 1 5 . 1 1 48 48 GLU CB C 48 32.755 32.755 30.290 2.465 25240 3708 1 5 . 1 1 48 48 GLU H H 48 8.327 8.327 8.713 -0.386 25240 3709 1 5 . 1 1 49 49 TYR N N 49 122.704 122.704 118.624 4.080 25240 3710 1 5 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.130 -0.295 25240 3711 1 5 . 1 1 49 49 TYR C C 49 176.809 176.809 178.022 -1.213 25240 3712 1 5 . 1 1 49 49 TYR CA C 49 62.744 62.744 62.132 0.612 25240 3713 1 5 . 1 1 49 49 TYR CB C 49 38.250 38.250 38.207 0.043 25240 3714 1 5 . 1 1 49 49 TYR H H 49 9.164 9.164 8.277 0.887 25240 3715 1 5 . 1 1 50 50 ASP N N 50 114.152 114.152 118.752 -4.600 25240 3716 1 5 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.364 -0.227 25240 3717 1 5 . 1 1 50 50 ASP C C 50 178.832 178.832 178.671 0.161 25240 3718 1 5 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.758 -1.394 25240 3719 1 5 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.396 -0.659 25240 3720 1 5 . 1 1 50 50 ASP H H 50 8.516 8.516 9.107 -0.591 25240 3721 1 5 . 1 1 51 51 GLN N N 51 120.262 120.262 119.351 0.911 25240 3722 1 5 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.118 -0.206 25240 3723 1 5 . 1 1 51 51 GLN C C 51 177.180 177.180 178.367 -1.187 25240 3724 1 5 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.885 -0.033 25240 3725 1 5 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.640 0.224 25240 3726 1 5 . 1 1 51 51 GLN H H 51 7.290 7.290 8.351 -1.061 25240 3727 1 5 . 1 1 52 52 PHE N N 52 121.864 121.864 121.433 0.431 25240 3728 1 5 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.052 -0.805 25240 3729 1 5 . 1 1 52 52 PHE C C 52 175.697 175.697 177.218 -1.521 25240 3730 1 5 . 1 1 52 52 PHE CA C 52 60.569 60.569 61.014 -0.445 25240 3731 1 5 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.937 -0.344 25240 3732 1 5 . 1 1 52 52 PHE H H 52 6.926 6.926 8.472 -1.546 25240 3733 1 5 . 1 1 53 53 LEU N N 53 116.512 116.512 120.098 -3.586 25240 3734 1 5 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.760 -0.567 25240 3735 1 5 . 1 1 53 53 LEU C C 53 179.877 179.877 178.410 1.467 25240 3736 1 5 . 1 1 53 53 LEU CA C 53 56.449 56.449 58.221 -1.772 25240 3737 1 5 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.743 -0.403 25240 3738 1 5 . 1 1 53 53 LEU H H 53 7.382 7.382 8.384 -1.002 25240 3739 1 5 . 1 1 54 54 GLU N N 54 119.308 119.308 118.853 0.455 25240 3740 1 5 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.897 -0.239 25240 3741 1 5 . 1 1 54 54 GLU C C 54 179.371 179.371 178.666 0.705 25240 3742 1 5 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.255 -0.011 25240 3743 1 5 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.116 -0.138 25240 3744 1 5 . 1 1 54 54 GLU H H 54 7.275 7.275 8.349 -1.074 25240 3745 1 5 . 1 1 55 55 ASP N N 55 119.986 119.986 119.254 0.732 25240 3746 1 5 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.362 -0.049 25240 3747 1 5 . 1 1 55 55 ASP C C 55 179.573 179.573 178.781 0.792 25240 3748 1 5 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.375 -0.011 25240 3749 1 5 . 1 1 55 55 ASP CB C 55 40.195 40.195 40.893 -0.698 25240 3750 1 5 . 1 1 55 55 ASP H H 55 8.354 8.354 8.164 0.191 25240 3751 1 5 . 1 1 56 56 ILE N N 56 121.615 121.615 114.156 7.459 25240 3752 1 5 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.768 -0.295 25240 3753 1 5 . 1 1 56 56 ILE C C 56 173.674 173.674 176.560 -2.886 25240 3754 1 5 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.521 0.940 25240 3755 1 5 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.679 -0.917 25240 3756 1 5 . 1 1 56 56 ILE H H 56 8.093 8.093 7.116 0.977 25240 3757 1 5 . 1 1 57 57 GLN N N 57 113.032 113.032 118.565 -5.533 25240 3758 1 5 . 1 1 57 57 GLN HA H 57 4.147 4.147 3.784 0.363 25240 3759 1 5 . 1 1 57 57 GLN C C 57 178.899 178.899 177.617 1.282 25240 3760 1 5 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.425 -1.434 25240 3761 1 5 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.749 3.205 25240 3762 1 5 . 1 1 57 57 GLN H H 57 6.377 6.377 7.573 -1.196 25240 3763 1 5 . 1 1 58 58 LYS N N 58 122.152 122.152 117.546 4.606 25240 3764 1 5 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.065 -0.223 25240 3765 1 5 . 1 1 58 58 LYS C C 58 176.674 176.674 177.695 -1.021 25240 3766 1 5 . 1 1 58 58 LYS CA C 58 59.424 59.424 58.288 1.137 25240 3767 1 5 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.090 -0.021 25240 3768 1 5 . 1 1 58 58 LYS H H 58 7.280 7.280 8.178 -0.898 25240 3769 1 5 . 1 1 59 59 CYS N N 59 116.543 116.543 118.102 -1.559 25240 3770 1 5 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.200 -0.054 25240 3771 1 5 . 1 1 59 59 CYS C C 59 175.056 175.056 174.954 0.102 25240 3772 1 5 . 1 1 59 59 CYS CA C 59 58.623 58.623 60.064 -1.441 25240 3773 1 5 . 1 1 59 59 CYS CB C 59 26.918 26.918 28.367 -1.449 25240 3774 1 5 . 1 1 59 59 CYS H H 59 7.784 7.784 7.782 0.002 25240 3775 1 5 . 1 1 60 60 GLY N N 60 109.550 109.550 108.128 1.422 25240 3776 1 5 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.934 -2.615 25240 3777 1 5 . 1 1 60 60 GLY H H 60 7.542 7.542 7.124 0.418 25240 3778 1 5 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.560 -0.332 25240 3779 1 5 . 1 1 61 61 PRO C C 61 177.079 177.079 177.412 -0.333 25240 3780 1 5 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.798 0.319 25240 3781 1 5 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.531 -1.034 25240 3782 1 5 . 1 1 62 62 GLY N N 62 106.490 106.490 106.002 0.488 25240 3783 1 5 . 1 1 62 62 GLY C C 62 174.011 174.011 173.008 1.003 25240 3784 1 5 . 1 1 62 62 GLY CA C 62 45.117 45.117 43.993 1.124 25240 3785 1 5 . 1 1 62 62 GLY H H 62 8.479 8.479 8.609 -0.130 25240 3786 1 5 . 1 1 63 63 GLU N N 63 119.465 119.465 117.069 2.396 25240 3787 1 5 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.531 -0.233 25240 3788 1 5 . 1 1 63 63 GLU C C 63 173.775 173.775 174.300 -0.525 25240 3789 1 5 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.282 0.679 25240 3790 1 5 . 1 1 63 63 GLU CB C 63 33.557 33.557 32.337 1.220 25240 3791 1 5 . 1 1 63 63 GLU H H 63 7.001 7.001 7.321 -0.320 25240 3792 1 5 . 1 1 64 64 CYS N N 64 111.402 111.402 119.128 -7.726 25240 3793 1 5 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.423 -0.914 25240 3794 1 5 . 1 1 64 64 CYS C C 64 173.371 173.371 174.180 -0.809 25240 3795 1 5 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.581 -0.934 25240 3796 1 5 . 1 1 64 64 CYS CB C 64 31.267 31.267 28.598 2.669 25240 3797 1 5 . 1 1 64 64 CYS H H 64 6.622 6.622 8.304 -1.682 25240 3798 1 5 . 1 1 65 65 ARG N N 65 117.835 117.835 121.094 -3.259 25240 3799 1 5 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.630 0.044 25240 3800 1 5 . 1 1 65 65 ARG C C 65 174.820 174.820 173.967 0.853 25240 3801 1 5 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.939 -1.352 25240 3802 1 5 . 1 1 65 65 ARG CB C 65 39.737 39.737 32.229 7.508 25240 3803 1 5 . 1 1 65 65 ARG H H 65 8.621 8.621 9.182 -0.561 25240 3804 1 5 . 1 1 66 66 TYR N N 66 114.314 114.314 120.737 -6.423 25240 3805 1 5 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.895 0.180 25240 3806 1 5 . 1 1 66 66 TYR C C 66 176.068 176.068 174.577 1.491 25240 3807 1 5 . 1 1 66 66 TYR CA C 66 54.846 54.846 54.791 0.055 25240 3808 1 5 . 1 1 66 66 TYR CB C 66 41.798 41.798 41.048 0.750 25240 3809 1 5 . 1 1 66 66 TYR H H 66 8.256 8.256 7.743 0.513 25240 3810 1 5 . 1 1 67 67 GLY N N 67 107.717 107.717 107.043 0.674 25240 3811 1 5 . 1 1 67 67 GLY C C 67 170.135 170.135 171.606 -1.471 25240 3812 1 5 . 1 1 67 67 GLY CA C 67 45.575 45.575 44.742 0.833 25240 3813 1 5 . 1 1 67 67 GLY H H 67 9.831 9.831 9.522 0.309 25240 3814 1 5 . 1 1 68 68 LEU N N 68 127.494 127.494 123.081 4.413 25240 3815 1 5 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.146 0.348 25240 3816 1 5 . 1 1 68 68 LEU C C 68 173.674 173.674 174.308 -0.634 25240 3817 1 5 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.562 -0.238 25240 3818 1 5 . 1 1 68 68 LEU CB C 68 47.177 47.177 45.333 1.844 25240 3819 1 5 . 1 1 68 68 LEU H H 68 9.391 9.391 8.715 0.676 25240 3820 1 5 . 1 1 69 69 PHE N N 69 126.775 126.775 127.421 -0.646 25240 3821 1 5 . 1 1 69 69 PHE HA H 69 4.503 4.503 4.993 -0.490 25240 3822 1 5 . 1 1 69 69 PHE C C 69 172.629 172.629 173.060 -0.431 25240 3823 1 5 . 1 1 69 69 PHE CA C 69 56.334 56.334 55.831 0.503 25240 3824 1 5 . 1 1 69 69 PHE CB C 69 43.744 43.744 43.105 0.639 25240 3825 1 5 . 1 1 69 69 PHE H H 69 8.017 8.017 8.792 -0.775 25240 3826 1 5 . 1 1 70 70 ASP N N 70 126.639 126.639 127.875 -1.236 25240 3827 1 5 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.095 -0.304 25240 3828 1 5 . 1 1 70 70 ASP C C 70 172.764 172.764 174.455 -1.691 25240 3829 1 5 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.764 0.365 25240 3830 1 5 . 1 1 70 70 ASP CB C 70 40.653 40.653 43.471 -2.818 25240 3831 1 5 . 1 1 70 70 ASP H H 70 7.087 7.087 8.135 -1.048 25240 3832 1 5 . 1 1 71 71 PHE N N 71 129.107 129.107 122.831 6.276 25240 3833 1 5 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.173 -0.477 25240 3834 1 5 . 1 1 71 71 PHE C C 71 174.315 174.315 173.559 0.756 25240 3835 1 5 . 1 1 71 71 PHE CA C 71 58.852 58.852 56.583 2.269 25240 3836 1 5 . 1 1 71 71 PHE CB C 71 42.713 42.713 42.060 0.653 25240 3837 1 5 . 1 1 71 71 PHE H H 71 8.656 8.656 7.779 0.877 25240 3838 1 5 . 1 1 72 72 GLU N N 72 126.483 126.483 122.371 4.112 25240 3839 1 5 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.728 0.423 25240 3840 1 5 . 1 1 72 72 GLU C C 72 175.090 175.090 175.462 -0.372 25240 3841 1 5 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.804 -1.072 25240 3842 1 5 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.463 2.377 25240 3843 1 5 . 1 1 72 72 GLU H H 72 8.134 8.134 8.730 -0.596 25240 3844 1 5 . 1 1 73 73 TYR N N 73 120.527 120.527 126.982 -6.455 25240 3845 1 5 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.924 -0.249 25240 3846 1 5 . 1 1 73 73 TYR C C 73 172.966 172.966 174.803 -1.837 25240 3847 1 5 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.114 -1.123 25240 3848 1 5 . 1 1 73 73 TYR CB C 73 39.509 39.509 40.916 -1.407 25240 3849 1 5 . 1 1 73 73 TYR H H 73 8.504 8.504 7.731 0.772 25240 3850 1 5 . 1 1 74 74 MET N N 74 118.604 118.604 124.640 -6.036 25240 3851 1 5 . 1 1 74 74 MET HA H 74 4.729 4.729 5.005 -0.276 25240 3852 1 5 . 1 1 74 74 MET C C 74 176.000 176.000 174.782 1.218 25240 3853 1 5 . 1 1 74 74 MET CA C 74 53.930 53.930 54.933 -1.003 25240 3854 1 5 . 1 1 74 74 MET CB C 74 32.412 32.412 34.165 -1.753 25240 3855 1 5 . 1 1 74 74 MET H H 74 8.752 8.752 8.348 0.404 25240 3856 1 5 . 1 1 75 75 HIS N N 75 123.810 123.810 117.083 6.727 25240 3857 1 5 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.785 -0.110 25240 3858 1 5 . 1 1 75 75 HIS C C 75 174.112 174.112 174.273 -0.161 25240 3859 1 5 . 1 1 75 75 HIS CA C 75 55.762 55.762 54.600 1.162 25240 3860 1 5 . 1 1 75 75 HIS CB C 75 32.755 32.755 31.524 1.231 25240 3861 1 5 . 1 1 75 75 HIS H H 75 8.902 8.902 8.002 0.900 25240 3862 1 5 . 1 1 76 76 GLN N N 76 125.324 125.324 123.784 1.540 25240 3863 1 5 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.505 -0.209 25240 3864 1 5 . 1 1 76 76 GLN C C 76 175.056 175.056 175.566 -0.510 25240 3865 1 5 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.903 -0.714 25240 3866 1 5 . 1 1 76 76 GLN CB C 76 29.551 29.551 28.297 1.254 25240 3867 1 5 . 1 1 76 76 GLN H H 76 8.292 8.292 8.524 -0.232 25240 3868 1 5 . 1 1 77 77 CYS N N 77 123.013 123.013 123.209 -0.196 25240 3869 1 5 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.600 -0.304 25240 3870 1 5 . 1 1 77 77 CYS C C 77 174.719 174.719 175.052 -0.333 25240 3871 1 5 . 1 1 77 77 CYS CA C 77 58.738 58.738 58.766 -0.028 25240 3872 1 5 . 1 1 77 77 CYS CB C 77 27.948 27.948 30.108 -2.160 25240 3873 1 5 . 1 1 77 77 CYS H H 77 8.420 8.420 8.683 -0.263 25240 3874 1 5 . 1 1 78 78 GLN N N 78 123.960 123.960 122.099 1.861 25240 3875 1 5 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.926 0.174 25240 3876 1 5 . 1 1 78 78 GLN C C 78 176.910 176.910 175.510 1.400 25240 3877 1 5 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.121 -0.100 25240 3878 1 5 . 1 1 78 78 GLN CB C 78 28.635 28.635 28.412 0.223 25240 3879 1 5 . 1 1 78 78 GLN H H 78 8.658 8.658 9.115 -0.457 25240 3880 1 5 . 1 1 79 79 GLY N N 79 111.173 111.173 104.599 6.574 25240 3881 1 5 . 1 1 79 79 GLY C C 79 174.315 174.315 174.954 -0.639 25240 3882 1 5 . 1 1 79 79 GLY CA C 79 45.460 45.460 44.976 0.484 25240 3883 1 5 . 1 1 79 79 GLY H H 79 8.636 8.636 8.307 0.329 25240 3884 1 5 . 1 1 80 80 THR N N 80 111.761 111.761 118.069 -6.308 25240 3885 1 5 . 1 1 80 80 THR HA H 80 4.483 4.483 4.389 0.094 25240 3886 1 5 . 1 1 80 80 THR C C 80 174.483 174.483 174.726 -0.243 25240 3887 1 5 . 1 1 80 80 THR CA C 80 60.912 60.912 61.924 -1.012 25240 3888 1 5 . 1 1 80 80 THR CB C 80 70.413 70.413 69.634 0.779 25240 3889 1 5 . 1 1 80 80 THR H H 80 7.730 7.730 7.554 0.176 25240 3890 1 5 . 1 1 81 81 SER N N 81 116.277 116.277 121.718 -5.441 25240 3891 1 5 . 1 1 81 81 SER HA H 81 3.810 3.810 4.346 -0.536 25240 3892 1 5 . 1 1 81 81 SER C C 81 174.517 174.517 174.302 0.215 25240 3893 1 5 . 1 1 81 81 SER CA C 81 58.738 58.738 59.353 -0.615 25240 3894 1 5 . 1 1 81 81 SER CB C 81 63.545 63.545 61.931 1.614 25240 3895 1 5 . 1 1 81 81 SER H H 81 8.312 8.312 8.650 -0.338 25240 3896 1 5 . 1 1 82 82 GLU N N 82 121.911 121.911 124.728 -2.817 25240 3897 1 5 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.141 0.108 25240 3898 1 5 . 1 1 82 82 GLU C C 82 176.202 176.202 176.471 -0.269 25240 3899 1 5 . 1 1 82 82 GLU CA C 82 56.449 56.449 57.144 -0.695 25240 3900 1 5 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.793 0.902 25240 3901 1 5 . 1 1 82 82 GLU H H 82 8.058 8.058 8.153 -0.095 25240 3902 1 5 . 1 1 83 83 SER N N 83 117.340 117.340 112.186 5.154 25240 3903 1 5 . 1 1 83 83 SER HA H 83 4.292 4.292 3.984 0.308 25240 3904 1 5 . 1 1 83 83 SER C C 83 174.146 174.146 173.274 0.872 25240 3905 1 5 . 1 1 83 83 SER CA C 83 58.165 58.165 58.417 -0.252 25240 3906 1 5 . 1 1 83 83 SER CB C 83 64.461 64.461 62.089 2.372 25240 3907 1 5 . 1 1 83 83 SER H H 83 8.355 8.355 8.406 -0.051 25240 3908 1 5 . 1 1 84 84 SER N N 84 117.340 117.340 116.366 0.974 25240 3909 1 5 . 1 1 84 84 SER HA H 84 4.734 4.734 4.119 0.615 25240 3910 1 5 . 1 1 84 84 SER C C 84 173.236 173.236 174.381 -1.145 25240 3911 1 5 . 1 1 84 84 SER CA C 84 57.708 57.708 59.419 -1.711 25240 3912 1 5 . 1 1 84 84 SER CB C 84 64.919 64.919 62.746 2.173 25240 3913 1 5 . 1 1 84 84 SER H H 84 8.435 8.435 7.408 1.027 25240 3914 1 5 . 1 1 85 85 LYS N N 85 123.283 123.283 127.072 -3.789 25240 3915 1 5 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.297 0.158 25240 3916 1 5 . 1 1 85 85 LYS C C 85 176.236 176.236 175.189 1.047 25240 3917 1 5 . 1 1 85 85 LYS CA C 85 56.677 56.677 55.628 1.049 25240 3918 1 5 . 1 1 85 85 LYS CB C 85 32.755 32.755 31.988 0.767 25240 3919 1 5 . 1 1 85 85 LYS H H 85 8.274 8.274 8.083 0.191 25240 3920 1 5 . 1 1 86 86 LYS N N 86 125.176 125.176 123.535 1.641 25240 3921 1 5 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.338 -0.033 25240 3922 1 5 . 1 1 86 86 LYS C C 86 174.753 174.753 175.888 -1.135 25240 3923 1 5 . 1 1 86 86 LYS CA C 86 54.388 54.388 55.876 -1.488 25240 3924 1 5 . 1 1 86 86 LYS CB C 86 34.358 34.358 33.907 0.451 25240 3925 1 5 . 1 1 86 86 LYS H H 86 8.590 8.590 8.105 0.485 25240 3926 1 5 . 1 1 87 87 GLN N N 87 118.903 118.903 125.324 -6.421 25240 3927 1 5 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.421 0.748 25240 3928 1 5 . 1 1 87 87 GLN C C 87 175.562 175.562 175.139 0.423 25240 3929 1 5 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.068 -0.451 25240 3930 1 5 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.464 2.231 25240 3931 1 5 . 1 1 87 87 GLN H H 87 7.946 7.946 8.649 -0.703 25240 3932 1 5 . 1 1 88 88 LYS N N 88 124.114 124.114 123.944 0.170 25240 3933 1 5 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.713 -0.075 25240 3934 1 5 . 1 1 88 88 LYS C C 88 174.449 174.449 175.386 -0.937 25240 3935 1 5 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.717 0.701 25240 3936 1 5 . 1 1 88 88 LYS CB C 88 36.876 36.876 34.257 2.619 25240 3937 1 5 . 1 1 88 88 LYS H H 88 9.258 9.258 7.980 1.278 25240 3938 1 5 . 1 1 89 89 LEU N N 89 123.968 123.968 124.020 -0.052 25240 3939 1 5 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.108 0.012 25240 3940 1 5 . 1 1 89 89 LEU C C 89 176.843 176.843 176.749 0.094 25240 3941 1 5 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.692 -0.075 25240 3942 1 5 . 1 1 89 89 LEU CB C 89 43.972 43.972 42.621 1.351 25240 3943 1 5 . 1 1 89 89 LEU H H 89 8.318 8.318 8.701 -0.383 25240 3944 1 5 . 1 1 90 90 PHE N N 90 118.366 118.366 119.254 -0.888 25240 3945 1 5 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.637 -0.190 25240 3946 1 5 . 1 1 90 90 PHE C C 90 171.786 171.786 173.640 -1.854 25240 3947 1 5 . 1 1 90 90 PHE CA C 90 55.189 55.189 55.050 0.139 25240 3948 1 5 . 1 1 90 90 PHE CB C 90 43.286 43.286 42.110 1.176 25240 3949 1 5 . 1 1 90 90 PHE H H 90 8.465 8.465 8.578 -0.113 25240 3950 1 5 . 1 1 91 91 LEU N N 91 121.719 121.719 124.872 -3.153 25240 3951 1 5 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.290 0.215 25240 3952 1 5 . 1 1 91 91 LEU C C 91 174.449 174.449 175.647 -1.198 25240 3953 1 5 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.458 -0.558 25240 3954 1 5 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.640 1.537 25240 3955 1 5 . 1 1 91 91 LEU H H 91 8.437 8.437 9.321 -0.884 25240 3956 1 5 . 1 1 92 92 MET N N 92 126.389 126.389 124.261 2.128 25240 3957 1 5 . 1 1 92 92 MET HA H 92 6.176 6.176 6.029 0.147 25240 3958 1 5 . 1 1 92 92 MET C C 92 176.169 176.169 175.007 1.162 25240 3959 1 5 . 1 1 92 92 MET CA C 92 53.015 53.015 53.890 -0.875 25240 3960 1 5 . 1 1 92 92 MET CB C 92 39.623 39.623 36.545 3.078 25240 3961 1 5 . 1 1 92 92 MET H H 92 10.273 10.273 9.511 0.762 25240 3962 1 5 . 1 1 93 93 SER N N 93 120.841 120.841 117.839 3.002 25240 3963 1 5 . 1 1 93 93 SER HA H 93 4.885 4.885 5.222 -0.337 25240 3964 1 5 . 1 1 93 93 SER C C 93 172.225 172.225 173.612 -1.387 25240 3965 1 5 . 1 1 93 93 SER CA C 93 56.563 56.563 57.513 -0.950 25240 3966 1 5 . 1 1 93 93 SER CB C 93 63.545 63.545 64.988 -1.443 25240 3967 1 5 . 1 1 93 93 SER H H 93 9.038 9.038 9.242 -0.204 25240 3968 1 5 . 1 1 94 94 TRP N N 94 129.918 129.918 131.482 -1.564 25240 3969 1 5 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.380 -0.233 25240 3970 1 5 . 1 1 94 94 TRP C C 94 173.270 173.270 174.707 -1.437 25240 3971 1 5 . 1 1 94 94 TRP CA C 94 54.961 54.961 55.920 -0.959 25240 3972 1 5 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.006 1.688 25240 3973 1 5 . 1 1 94 94 TRP H H 94 9.001 9.001 9.010 -0.009 25240 3974 1 5 . 1 1 95 95 CYS N N 95 122.538 122.538 128.576 -6.038 25240 3975 1 5 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.830 -0.009 25240 3976 1 5 . 1 1 95 95 CYS CA C 95 53.813 53.813 55.645 -1.832 25240 3977 1 5 . 1 1 95 95 CYS H H 95 7.319 7.319 9.065 -1.746 25240 3978 1 5 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.612 -0.793 25240 3979 1 5 . 1 1 96 96 PRO C C 96 177.888 177.888 177.525 0.363 25240 3980 1 5 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.209 -1.381 25240 3981 1 5 . 1 1 96 96 PRO CB C 96 31.840 31.840 32.030 -0.190 25240 3982 1 5 . 1 1 97 97 ASP N N 97 118.960 118.960 123.739 -4.779 25240 3983 1 5 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.389 -0.331 25240 3984 1 5 . 1 1 97 97 ASP C C 97 176.809 176.809 176.554 0.255 25240 3985 1 5 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.204 0.702 25240 3986 1 5 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.910 -0.028 25240 3987 1 5 . 1 1 97 97 ASP H H 97 8.040 8.040 8.791 -0.751 25240 3988 1 5 . 1 1 98 98 THR N N 98 104.267 104.267 112.452 -8.185 25240 3989 1 5 . 1 1 98 98 THR HA H 98 3.856 3.856 4.410 -0.554 25240 3990 1 5 . 1 1 98 98 THR C C 98 174.921 174.921 174.022 0.899 25240 3991 1 5 . 1 1 98 98 THR CA C 98 61.599 61.599 62.073 -0.474 25240 3992 1 5 . 1 1 98 98 THR CB C 98 68.925 68.925 68.518 0.407 25240 3993 1 5 . 1 1 98 98 THR H H 98 6.917 6.917 8.087 -1.170 25240 3994 1 5 . 1 1 99 99 ALA N N 99 125.807 125.807 124.506 1.301 25240 3995 1 5 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.485 -0.469 25240 3996 1 5 . 1 1 99 99 ALA C C 99 177.045 177.045 176.328 0.717 25240 3997 1 5 . 1 1 99 99 ALA CA C 99 52.099 52.099 51.123 0.976 25240 3998 1 5 . 1 1 99 99 ALA CB C 99 19.020 19.020 20.295 -1.275 25240 3999 1 5 . 1 1 99 99 ALA H H 99 7.496 7.496 7.397 0.099 25240 4000 1 5 . 1 1 100 100 LYS N N 100 119.465 119.465 119.334 0.131 25240 4001 1 5 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.193 -0.108 25240 4002 1 5 . 1 1 100 100 LYS C C 100 178.832 178.832 178.276 0.556 25240 4003 1 5 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.478 -0.144 25240 4004 1 5 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.240 0.287 25240 4005 1 5 . 1 1 100 100 LYS H H 100 8.271 8.271 8.493 -0.222 25240 4006 1 5 . 1 1 101 101 VAL N N 101 123.351 123.351 125.532 -2.181 25240 4007 1 5 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.721 -0.324 25240 4008 1 5 . 1 1 101 101 VAL C C 101 177.584 177.584 177.179 0.405 25240 4009 1 5 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.458 1.521 25240 4010 1 5 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.879 -0.383 25240 4011 1 5 . 1 1 101 101 VAL H H 101 8.518 8.518 8.568 -0.050 25240 4012 1 5 . 1 1 102 102 LYS N N 102 118.249 118.249 118.884 -0.635 25240 4013 1 5 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.074 -0.143 25240 4014 1 5 . 1 1 102 102 LYS C C 102 179.540 179.540 178.749 0.791 25240 4015 1 5 . 1 1 102 102 LYS CA C 102 59.882 59.882 59.610 0.272 25240 4016 1 5 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.888 0.410 25240 4017 1 5 . 1 1 102 102 LYS H H 102 8.558 8.558 8.358 0.200 25240 4018 1 5 . 1 1 103 103 LYS N N 103 118.668 118.668 120.795 -2.127 25240 4019 1 5 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.176 -0.058 25240 4020 1 5 . 1 1 103 103 LYS C C 103 177.921 177.921 178.745 -0.824 25240 4021 1 5 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.754 -1.359 25240 4022 1 5 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.505 -0.665 25240 4023 1 5 . 1 1 103 103 LYS H H 103 6.854 6.854 7.770 -0.916 25240 4024 1 5 . 1 1 104 104 LYS N N 104 119.199 119.199 118.630 0.569 25240 4025 1 5 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.230 -0.336 25240 4026 1 5 . 1 1 104 104 LYS C C 104 180.011 180.011 179.191 0.820 25240 4027 1 5 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.629 2.055 25240 4028 1 5 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.663 0.062 25240 4029 1 5 . 1 1 104 104 LYS H H 104 8.048 8.048 8.480 -0.432 25240 4030 1 5 . 1 1 105 105 MET N N 105 118.021 118.021 120.133 -2.112 25240 4031 1 5 . 1 1 105 105 MET HA H 105 4.121 4.121 4.393 -0.272 25240 4032 1 5 . 1 1 105 105 MET C C 105 178.899 178.899 177.982 0.917 25240 4033 1 5 . 1 1 105 105 MET CA C 105 58.509 58.509 57.236 1.273 25240 4034 1 5 . 1 1 105 105 MET CB C 105 32.069 32.069 32.324 -0.255 25240 4035 1 5 . 1 1 105 105 MET H H 105 8.546 8.546 7.587 0.959 25240 4036 1 5 . 1 1 106 106 LEU N N 106 122.895 122.895 118.024 4.871 25240 4037 1 5 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.181 -0.145 25240 4038 1 5 . 1 1 106 106 LEU C C 106 179.910 179.910 178.918 0.992 25240 4039 1 5 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.841 0.324 25240 4040 1 5 . 1 1 106 106 LEU CB C 106 41.912 41.912 39.971 1.941 25240 4041 1 5 . 1 1 106 106 LEU H H 106 7.674 7.674 7.840 -0.166 25240 4042 1 5 . 1 1 107 107 TYR N N 107 119.036 119.036 119.126 -0.090 25240 4043 1 5 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.382 -0.348 25240 4044 1 5 . 1 1 107 107 TYR C C 107 181.360 181.360 178.224 3.136 25240 4045 1 5 . 1 1 107 107 TYR CA C 107 60.912 60.912 62.272 -1.360 25240 4046 1 5 . 1 1 107 107 TYR CB C 107 37.677 37.677 38.392 -0.715 25240 4047 1 5 . 1 1 107 107 TYR H H 107 8.669 8.669 8.530 0.139 25240 4048 1 5 . 1 1 108 108 SER N N 108 118.372 118.372 113.735 4.637 25240 4049 1 5 . 1 1 108 108 SER HA H 108 4.324 4.324 4.282 0.042 25240 4050 1 5 . 1 1 108 108 SER C C 108 178.023 178.023 176.647 1.376 25240 4051 1 5 . 1 1 108 108 SER CA C 108 62.286 62.286 60.807 1.479 25240 4052 1 5 . 1 1 108 108 SER CB C 108 63.545 63.545 62.725 0.820 25240 4053 1 5 . 1 1 108 108 SER H H 108 8.973 8.973 8.007 0.966 25240 4054 1 5 . 1 1 109 109 SER N N 109 116.727 116.727 118.116 -1.389 25240 4055 1 5 . 1 1 109 109 SER HA H 109 4.292 4.292 4.321 -0.029 25240 4056 1 5 . 1 1 109 109 SER C C 109 176.405 176.405 176.499 -0.094 25240 4057 1 5 . 1 1 109 109 SER CA C 109 61.370 61.370 61.671 -0.301 25240 4058 1 5 . 1 1 109 109 SER CB C 109 63.202 63.202 63.109 0.093 25240 4059 1 5 . 1 1 109 109 SER H H 109 8.353 8.353 8.276 0.077 25240 4060 1 5 . 1 1 110 110 SER N N 110 115.229 115.229 118.889 -3.660 25240 4061 1 5 . 1 1 110 110 SER HA H 110 4.549 4.549 4.204 0.345 25240 4062 1 5 . 1 1 110 110 SER C C 110 172.899 172.899 175.701 -2.802 25240 4063 1 5 . 1 1 110 110 SER CA C 110 59.424 59.424 61.346 -1.922 25240 4064 1 5 . 1 1 110 110 SER CB C 110 62.973 62.973 62.932 0.041 25240 4065 1 5 . 1 1 110 110 SER H H 110 7.236 7.236 7.940 -0.704 25240 4066 1 5 . 1 1 111 111 PHE N N 111 120.978 120.978 121.885 -0.907 25240 4067 1 5 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.868 0.147 25240 4068 1 5 . 1 1 111 111 PHE C C 111 177.483 177.483 176.396 1.087 25240 4069 1 5 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.327 -3.619 25240 4070 1 5 . 1 1 111 111 PHE CB C 111 38.364 38.364 39.196 -0.832 25240 4071 1 5 . 1 1 111 111 PHE H H 111 7.069 7.069 8.076 -1.007 25240 4072 1 5 . 1 1 112 112 ASP N N 112 116.485 116.485 118.910 -2.425 25240 4073 1 5 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.265 -0.512 25240 4074 1 5 . 1 1 112 112 ASP C C 112 177.281 177.281 177.535 -0.254 25240 4075 1 5 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.479 1.000 25240 4076 1 5 . 1 1 112 112 ASP CB C 112 40.424 40.424 41.642 -1.218 25240 4077 1 5 . 1 1 112 112 ASP H H 112 8.305 8.305 7.719 0.586 25240 4078 1 5 . 1 1 113 113 ALA N N 113 121.059 121.059 122.532 -1.473 25240 4079 1 5 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.981 -0.228 25240 4080 1 5 . 1 1 113 113 ALA C C 113 180.416 180.416 179.891 0.525 25240 4081 1 5 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.815 0.031 25240 4082 1 5 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.654 -1.579 25240 4083 1 5 . 1 1 113 113 ALA H H 113 7.393 7.393 7.140 0.253 25240 4084 1 5 . 1 1 114 114 LEU N N 114 118.535 118.535 115.900 2.635 25240 4085 1 5 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.806 -0.174 25240 4086 1 5 . 1 1 114 114 LEU C C 114 178.191 178.191 177.618 0.573 25240 4087 1 5 . 1 1 114 114 LEU CA C 114 56.906 56.906 57.449 -0.543 25240 4088 1 5 . 1 1 114 114 LEU CB C 114 41.340 41.340 41.175 0.165 25240 4089 1 5 . 1 1 114 114 LEU H H 114 6.647 6.647 8.211 -1.564 25240 4090 1 5 . 1 1 115 115 LYS N N 115 117.340 117.340 118.046 -0.706 25240 4091 1 5 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.698 -0.469 25240 4092 1 5 . 1 1 115 115 LYS C C 115 179.877 179.877 177.853 2.024 25240 4093 1 5 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.372 0.052 25240 4094 1 5 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.605 0.349 25240 4095 1 5 . 1 1 115 115 LYS H H 115 7.730 7.730 7.455 0.275 25240 4096 1 5 . 1 1 116 116 LYS N N 116 116.144 116.144 117.206 -1.062 25240 4097 1 5 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.083 -0.383 25240 4098 1 5 . 1 1 116 116 LYS C C 116 177.652 177.652 178.470 -0.818 25240 4099 1 5 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.438 -0.044 25240 4100 1 5 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.358 0.169 25240 4101 1 5 . 1 1 116 116 LYS H H 116 7.714 7.714 7.326 0.388 25240 4102 1 5 . 1 1 117 117 SER N N 117 111.789 111.789 115.576 -3.787 25240 4103 1 5 . 1 1 117 117 SER HA H 117 4.179 4.179 4.238 -0.059 25240 4104 1 5 . 1 1 117 117 SER C C 117 174.483 174.483 175.793 -1.310 25240 4105 1 5 . 1 1 117 117 SER CA C 117 60.912 60.912 60.402 0.510 25240 4106 1 5 . 1 1 117 117 SER CB C 117 64.232 64.232 63.068 1.165 25240 4107 1 5 . 1 1 117 117 SER H H 117 6.957 6.957 7.149 -0.192 25240 4108 1 5 . 1 1 118 118 LEU N N 118 122.293 122.293 120.024 2.269 25240 4109 1 5 . 1 1 118 118 LEU HA H 118 3.922 3.922 3.676 0.246 25240 4110 1 5 . 1 1 118 118 LEU C C 118 175.730 175.730 175.275 0.455 25240 4111 1 5 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.173 -0.959 25240 4112 1 5 . 1 1 118 118 LEU CB C 118 37.448 37.448 39.297 -1.849 25240 4113 1 5 . 1 1 118 118 LEU H H 118 6.997 6.997 8.226 -1.229 25240 4114 1 5 . 1 1 119 119 VAL N N 119 121.059 121.059 121.671 -0.612 25240 4115 1 5 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.762 -0.135 25240 4116 1 5 . 1 1 119 119 VAL C C 119 178.697 178.697 177.360 1.337 25240 4117 1 5 . 1 1 119 119 VAL CA C 119 64.919 64.919 64.102 0.817 25240 4118 1 5 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.526 -1.144 25240 4119 1 5 . 1 1 119 119 VAL H H 119 7.347 7.347 7.302 0.045 25240 4120 1 5 . 1 1 120 120 GLY N N 120 117.377 117.377 116.801 0.576 25240 4121 1 5 . 1 1 120 120 GLY C C 120 174.517 174.517 173.547 0.970 25240 4122 1 5 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.612 0.276 25240 4123 1 5 . 1 1 120 120 GLY H H 120 9.077 9.077 8.680 0.397 25240 4124 1 5 . 1 1 121 121 VAL N N 121 122.254 122.254 121.846 0.408 25240 4125 1 5 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.879 -0.117 25240 4126 1 5 . 1 1 121 121 VAL C C 121 175.966 175.966 175.641 0.325 25240 4127 1 5 . 1 1 121 121 VAL CA C 121 64.117 64.117 63.594 0.523 25240 4128 1 5 . 1 1 121 121 VAL CB C 121 31.611 31.611 32.330 -0.719 25240 4129 1 5 . 1 1 121 121 VAL H H 121 7.316 7.316 7.573 -0.257 25240 4130 1 5 . 1 1 122 122 GLN N N 122 123.484 123.484 126.430 -2.946 25240 4131 1 5 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.587 -0.334 25240 4132 1 5 . 1 1 122 122 GLN C C 122 174.854 174.854 175.500 -0.646 25240 4133 1 5 . 1 1 122 122 GLN CA C 122 56.105 56.105 54.703 1.402 25240 4134 1 5 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.659 1.380 25240 4135 1 5 . 1 1 122 122 GLN H H 122 8.678 8.678 8.442 0.236 25240 4136 1 5 . 1 1 123 123 LYS N N 123 117.871 117.871 118.493 -0.622 25240 4137 1 5 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.496 -0.186 25240 4138 1 5 . 1 1 123 123 LYS C C 123 173.000 173.000 173.654 -0.654 25240 4139 1 5 . 1 1 123 123 LYS CA C 123 53.358 53.358 56.462 -3.104 25240 4140 1 5 . 1 1 123 123 LYS CB C 123 34.816 34.816 35.789 -0.973 25240 4141 1 5 . 1 1 123 123 LYS H H 123 6.726 6.726 7.802 -1.076 25240 4142 1 5 . 1 1 124 124 TYR N N 124 123.352 123.352 121.831 1.521 25240 4143 1 5 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.858 0.041 25240 4144 1 5 . 1 1 124 124 TYR C C 124 175.663 175.663 174.074 1.589 25240 4145 1 5 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.805 -0.959 25240 4146 1 5 . 1 1 124 124 TYR CB C 124 40.424 40.424 40.986 -0.562 25240 4147 1 5 . 1 1 124 124 TYR H H 124 8.441 8.441 8.078 0.363 25240 4148 1 5 . 1 1 125 125 ILE N N 125 122.835 122.835 124.313 -1.478 25240 4149 1 5 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.618 -0.216 25240 4150 1 5 . 1 1 125 125 ILE C C 125 174.348 174.348 173.951 0.397 25240 4151 1 5 . 1 1 125 125 ILE CA C 125 59.882 59.882 60.305 -0.423 25240 4152 1 5 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.235 0.021 25240 4153 1 5 . 1 1 125 125 ILE H H 125 9.123 9.123 9.323 -0.200 25240 4154 1 5 . 1 1 126 126 GLN N N 126 126.869 126.869 129.070 -2.201 25240 4155 1 5 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.778 0.099 25240 4156 1 5 . 1 1 126 126 GLN C C 126 174.146 174.146 174.247 -0.101 25240 4157 1 5 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.381 -0.306 25240 4158 1 5 . 1 1 126 126 GLN CB C 126 29.551 29.551 30.183 -0.632 25240 4159 1 5 . 1 1 126 126 GLN H H 126 8.916 8.916 8.745 0.171 25240 4160 1 5 . 1 1 127 127 ALA N N 127 127.414 127.414 129.300 -1.886 25240 4161 1 5 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.637 0.326 25240 4162 1 5 . 1 1 127 127 ALA C C 127 176.539 176.539 176.975 -0.436 25240 4163 1 5 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.836 0.118 25240 4164 1 5 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.632 1.250 25240 4165 1 5 . 1 1 127 127 ALA H H 127 8.829 8.829 9.006 -0.177 25240 4166 1 5 . 1 1 128 128 THR N N 128 112.753 112.753 115.128 -2.375 25240 4167 1 5 . 1 1 128 128 THR HA H 128 3.994 3.994 4.415 -0.421 25240 4168 1 5 . 1 1 128 128 THR C C 128 172.933 172.933 173.970 -1.037 25240 4169 1 5 . 1 1 128 128 THR CA C 128 60.912 60.912 62.590 -1.678 25240 4170 1 5 . 1 1 128 128 THR CB C 128 70.527 70.527 69.186 1.341 25240 4171 1 5 . 1 1 128 128 THR H H 128 9.350 9.350 8.665 0.685 25240 4172 1 5 . 1 1 129 129 ASP N N 129 118.551 118.551 116.272 2.279 25240 4173 1 5 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.254 0.324 25240 4174 1 5 . 1 1 129 129 ASP C C 129 176.573 176.573 175.334 1.239 25240 4175 1 5 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.816 0.198 25240 4176 1 5 . 1 1 129 129 ASP CB C 129 43.744 43.744 41.495 2.249 25240 4177 1 5 . 1 1 129 129 ASP H H 129 7.602 7.602 7.175 0.427 25240 4178 1 5 . 1 1 130 130 LEU N N 130 122.387 122.387 119.591 2.796 25240 4179 1 5 . 1 1 130 130 LEU HA H 130 3.977 3.977 3.803 0.174 25240 4180 1 5 . 1 1 130 130 LEU C C 130 179.202 179.202 177.998 1.204 25240 4181 1 5 . 1 1 130 130 LEU CA C 130 58.051 58.051 56.908 1.143 25240 4182 1 5 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.220 -0.651 25240 4183 1 5 . 1 1 130 130 LEU H H 130 8.910 8.910 8.193 0.717 25240 4184 1 5 . 1 1 131 131 SER N N 131 116.410 116.410 114.486 1.924 25240 4185 1 5 . 1 1 131 131 SER HA H 131 3.856 3.856 4.198 -0.342 25240 4186 1 5 . 1 1 131 131 SER C C 131 177.180 177.180 176.789 0.391 25240 4187 1 5 . 1 1 131 131 SER CA C 131 62.515 62.515 61.649 0.866 25240 4188 1 5 . 1 1 131 131 SER CB C 131 68.352 68.352 62.800 5.551 25240 4189 1 5 . 1 1 131 131 SER H H 131 8.645 8.645 8.654 -0.009 25240 4190 1 5 . 1 1 132 132 GLU N N 132 120.840 120.840 119.421 1.419 25240 4191 1 5 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.160 -0.090 25240 4192 1 5 . 1 1 132 132 GLU C C 132 175.427 175.427 176.098 -0.671 25240 4193 1 5 . 1 1 132 132 GLU CA C 132 57.021 57.021 57.797 -0.776 25240 4194 1 5 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.432 1.607 25240 4195 1 5 . 1 1 132 132 GLU H H 132 7.749 7.749 7.599 0.150 25240 4196 1 5 . 1 1 133 133 ALA N N 133 117.182 117.182 119.173 -1.991 25240 4197 1 5 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.524 -0.173 25240 4198 1 5 . 1 1 133 133 ALA C C 133 175.730 175.730 177.187 -1.457 25240 4199 1 5 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.031 -0.649 25240 4200 1 5 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.134 1.145 25240 4201 1 5 . 1 1 133 133 ALA H H 133 7.347 7.347 6.853 0.494 25240 4202 1 5 . 1 1 134 134 SER N N 134 115.197 115.197 116.392 -1.195 25240 4203 1 5 . 1 1 134 134 SER HA H 134 4.185 4.185 4.395 -0.210 25240 4204 1 5 . 1 1 134 134 SER C C 134 173.067 173.067 175.413 -2.346 25240 4205 1 5 . 1 1 134 134 SER CA C 134 58.509 58.509 58.049 0.460 25240 4206 1 5 . 1 1 134 134 SER CB C 134 64.690 64.690 63.917 0.773 25240 4207 1 5 . 1 1 134 134 SER H H 134 7.061 7.061 7.234 -0.173 25240 4208 1 5 . 1 1 135 135 ARG N N 135 122.190 122.190 124.925 -2.735 25240 4209 1 5 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.992 0.193 25240 4210 1 5 . 1 1 135 135 ARG C C 135 177.888 177.888 177.995 -0.107 25240 4211 1 5 . 1 1 135 135 ARG CA C 135 60.111 60.111 59.125 0.986 25240 4212 1 5 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.921 -0.370 25240 4213 1 5 . 1 1 135 135 ARG H H 135 8.961 8.961 8.839 0.122 25240 4214 1 5 . 1 1 136 136 GLU N N 136 115.480 115.480 120.154 -4.674 25240 4215 1 5 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.021 -0.226 25240 4216 1 5 . 1 1 136 136 GLU C C 136 178.865 178.865 177.727 1.138 25240 4217 1 5 . 1 1 136 136 GLU CA C 136 59.997 59.997 59.129 0.868 25240 4218 1 5 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.160 -0.411 25240 4219 1 5 . 1 1 136 136 GLU H H 136 8.588 8.588 8.707 -0.119 25240 4220 1 5 . 1 1 137 137 ALA N N 137 123.947 123.947 120.668 3.279 25240 4221 1 5 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.118 -0.196 25240 4222 1 5 . 1 1 137 137 ALA C C 137 181.191 181.191 179.470 1.721 25240 4223 1 5 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.249 0.597 25240 4224 1 5 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.505 -0.171 25240 4225 1 5 . 1 1 137 137 ALA H H 137 7.578 7.578 7.519 0.059 25240 4226 1 5 . 1 1 138 138 VAL N N 138 119.326 119.326 118.490 0.836 25240 4227 1 5 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.497 0.408 25240 4228 1 5 . 1 1 138 138 VAL C C 138 177.584 177.584 177.428 0.156 25240 4229 1 5 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.130 0.505 25240 4230 1 5 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.902 -0.863 25240 4231 1 5 . 1 1 138 138 VAL H H 138 8.108 8.108 7.621 0.487 25240 4232 1 5 . 1 1 139 139 GLU N N 139 119.418 119.418 118.971 0.447 25240 4233 1 5 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.881 0.190 25240 4234 1 5 . 1 1 139 139 GLU C C 139 178.157 178.157 178.104 0.053 25240 4235 1 5 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.197 1.372 25240 4236 1 5 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.627 0.466 25240 4237 1 5 . 1 1 139 139 GLU H H 139 8.248 8.248 7.765 0.483 25240 4238 1 5 . 1 1 140 140 GLU N N 140 116.410 116.410 119.376 -2.966 25240 4239 1 5 . 1 1 140 140 GLU HA H 140 3.731 3.731 4.003 -0.272 25240 4240 1 5 . 1 1 140 140 GLU C C 140 179.202 179.202 178.835 0.367 25240 4241 1 5 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.865 0.559 25240 4242 1 5 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.129 -0.036 25240 4243 1 5 . 1 1 140 140 GLU H H 140 7.305 7.305 7.817 -0.512 25240 4244 1 5 . 1 1 141 141 LYS N N 141 118.210 118.210 118.595 -0.385 25240 4245 1 5 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.009 -0.079 25240 4246 1 5 . 1 1 141 141 LYS C C 141 179.607 179.607 178.467 1.140 25240 4247 1 5 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.761 -0.367 25240 4248 1 5 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.224 -0.041 25240 4249 1 5 . 1 1 141 141 LYS H H 141 7.292 7.292 7.396 -0.104 25240 4250 1 5 . 1 1 142 142 LEU N N 142 119.472 119.472 116.063 3.409 25240 4251 1 5 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.401 -0.721 25240 4252 1 5 . 1 1 142 142 LEU C C 142 178.663 178.663 179.425 -0.762 25240 4253 1 5 . 1 1 142 142 LEU CA C 142 57.364 57.364 56.744 0.620 25240 4254 1 5 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.500 -1.076 25240 4255 1 5 . 1 1 142 142 LEU H H 142 8.112 8.112 7.244 0.868 25240 4256 1 5 . 1 1 143 143 ARG N N 143 117.384 117.384 118.600 -1.216 25240 4257 1 5 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.100 -0.140 25240 4258 1 5 . 1 1 143 143 ARG C C 143 177.989 177.989 177.551 0.438 25240 4259 1 5 . 1 1 143 143 ARG CA C 143 58.051 58.051 58.504 -0.453 25240 4260 1 5 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.613 1.083 25240 4261 1 5 . 1 1 143 143 ARG H H 143 7.832 7.832 8.580 -0.748 25240 4262 1 5 . 1 1 144 144 ALA N N 144 121.192 121.192 120.302 0.890 25240 4263 1 5 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.317 -0.236 25240 4264 1 5 . 1 1 144 144 ALA C C 144 178.697 178.697 178.918 -0.221 25240 4265 1 5 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.853 0.077 25240 4266 1 5 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.172 0.619 25240 4267 1 5 . 1 1 144 144 ALA H H 144 7.284 7.284 7.598 -0.314 25240 4268 1 5 . 1 1 145 145 THR N N 145 109.503 109.503 114.370 -4.867 25240 4269 1 5 . 1 1 145 145 THR HA H 145 4.270 4.270 4.220 0.050 25240 4270 1 5 . 1 1 145 145 THR C C 145 174.787 174.787 175.630 -0.843 25240 4271 1 5 . 1 1 145 145 THR CA C 145 61.828 61.828 65.676 -3.848 25240 4272 1 5 . 1 1 145 145 THR CB C 145 68.925 68.925 69.131 -0.206 25240 4273 1 5 . 1 1 145 145 THR H H 145 7.690 7.690 7.522 0.168 25240 4274 1 5 . 1 1 146 146 ASP N N 146 122.786 122.786 120.298 2.488 25240 4275 1 5 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.489 0.055 25240 4276 1 5 . 1 1 146 146 ASP C C 146 176.000 176.000 175.495 0.505 25240 4277 1 5 . 1 1 146 146 ASP CA C 146 54.732 54.732 55.852 -1.120 25240 4278 1 5 . 1 1 146 146 ASP CB C 146 41.111 41.111 40.914 0.197 25240 4279 1 5 . 1 1 146 146 ASP H H 146 7.873 7.873 7.759 0.114 25240 4280 1 5 . 1 1 147 147 ARG N N 147 120.926 120.926 119.345 1.581 25240 4281 1 5 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.320 -0.050 25240 4282 1 5 . 1 1 147 147 ARG C C 147 175.427 175.427 175.029 0.398 25240 4283 1 5 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.856 0.249 25240 4284 1 5 . 1 1 147 147 ARG CB C 147 30.695 30.695 29.319 1.377 25240 4285 1 5 . 1 1 147 147 ARG H H 147 8.048 8.048 7.325 0.723 25240 4286 1 6 . 1 1 2 2 ALA N N 2 126.020 126.020 121.660 4.360 25240 4287 1 6 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.179 0.028 25240 4288 1 6 . 1 1 2 2 ALA C C 2 177.605 177.605 175.682 1.923 25240 4289 1 6 . 1 1 2 2 ALA CA C 2 52.442 52.442 52.198 0.244 25240 4290 1 6 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.827 0.308 25240 4291 1 6 . 1 1 2 2 ALA H H 2 8.306 8.306 8.103 0.203 25240 4292 1 6 . 1 1 3 3 SER N N 3 115.214 115.214 116.354 -1.140 25240 4293 1 6 . 1 1 3 3 SER HA H 3 4.282 4.282 4.781 -0.499 25240 4294 1 6 . 1 1 3 3 SER C C 3 174.965 174.965 174.579 0.386 25240 4295 1 6 . 1 1 3 3 SER CA C 3 58.165 58.165 57.460 0.705 25240 4296 1 6 . 1 1 3 3 SER CB C 3 64.003 64.003 63.131 0.872 25240 4297 1 6 . 1 1 3 3 SER H H 3 8.183 8.183 8.288 -0.105 25240 4298 1 6 . 1 1 4 4 GLY N N 4 110.858 110.858 111.937 -1.079 25240 4299 1 6 . 1 1 4 4 GLY C C 4 173.716 173.716 172.675 1.041 25240 4300 1 6 . 1 1 4 4 GLY CA C 4 45.003 45.003 45.752 -0.749 25240 4301 1 6 . 1 1 4 4 GLY H H 4 8.279 8.279 7.662 0.617 25240 4302 1 6 . 1 1 5 5 VAL N N 5 119.961 119.961 121.930 -1.969 25240 4303 1 6 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.667 -0.539 25240 4304 1 6 . 1 1 5 5 VAL C C 5 176.275 176.275 175.449 0.826 25240 4305 1 6 . 1 1 5 5 VAL CA C 5 62.172 62.172 60.529 1.643 25240 4306 1 6 . 1 1 5 5 VAL CB C 5 32.641 32.641 35.280 -2.639 25240 4307 1 6 . 1 1 5 5 VAL H H 5 7.672 7.672 8.102 -0.430 25240 4308 1 6 . 1 1 6 6 THR N N 6 115.480 115.480 122.777 -7.297 25240 4309 1 6 . 1 1 6 6 THR HA H 6 4.487 4.487 4.533 -0.046 25240 4310 1 6 . 1 1 6 6 THR C C 6 173.252 173.252 173.132 0.120 25240 4311 1 6 . 1 1 6 6 THR CA C 6 59.882 59.882 61.683 -1.801 25240 4312 1 6 . 1 1 6 6 THR CB C 6 71.328 71.328 69.981 1.347 25240 4313 1 6 . 1 1 6 6 THR H H 6 7.756 7.756 8.212 -0.456 25240 4314 1 6 . 1 1 7 7 VAL N N 7 120.262 120.262 124.471 -4.209 25240 4315 1 6 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.187 -0.108 25240 4316 1 6 . 1 1 7 7 VAL C C 7 176.215 176.215 175.542 0.673 25240 4317 1 6 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.398 0.659 25240 4318 1 6 . 1 1 7 7 VAL CB C 7 33.557 33.557 31.839 1.718 25240 4319 1 6 . 1 1 7 7 VAL H H 7 8.447 8.447 8.477 -0.030 25240 4320 1 6 . 1 1 8 8 SER N N 8 124.247 124.247 123.211 1.036 25240 4321 1 6 . 1 1 8 8 SER HA H 8 4.271 4.271 4.507 -0.236 25240 4322 1 6 . 1 1 8 8 SER C C 8 175.892 175.892 175.560 0.332 25240 4323 1 6 . 1 1 8 8 SER CA C 8 58.738 58.738 58.832 -0.094 25240 4324 1 6 . 1 1 8 8 SER CB C 8 64.003 64.003 64.517 -0.515 25240 4325 1 6 . 1 1 8 8 SER H H 8 8.816 8.816 8.068 0.748 25240 4326 1 6 . 1 1 9 9 ASP N N 9 125.176 125.176 124.713 0.463 25240 4327 1 6 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.435 -0.126 25240 4328 1 6 . 1 1 9 9 ASP C C 9 178.492 178.492 177.623 0.869 25240 4329 1 6 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.660 1.277 25240 4330 1 6 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.755 -0.560 25240 4331 1 6 . 1 1 9 9 ASP H H 9 9.033 9.033 8.955 0.078 25240 4332 1 6 . 1 1 10 10 VAL N N 10 117.738 117.738 118.432 -0.694 25240 4333 1 6 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.773 0.321 25240 4334 1 6 . 1 1 10 10 VAL C C 10 179.439 179.439 177.540 1.899 25240 4335 1 6 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.385 -0.810 25240 4336 1 6 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.366 0.129 25240 4337 1 6 . 1 1 10 10 VAL H H 10 8.078 8.078 8.078 0.000 25240 4338 1 6 . 1 1 11 11 CYS N N 11 121.775 121.775 118.521 3.254 25240 4339 1 6 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.426 -0.512 25240 4340 1 6 . 1 1 11 11 CYS C C 11 176.094 176.094 176.583 -0.489 25240 4341 1 6 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.024 1.750 25240 4342 1 6 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.090 -0.058 25240 4343 1 6 . 1 1 11 11 CYS H H 11 7.922 7.922 8.057 -0.135 25240 4344 1 6 . 1 1 12 12 LYS N N 12 117.392 117.392 120.871 -3.479 25240 4345 1 6 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.119 -0.205 25240 4346 1 6 . 1 1 12 12 LYS C C 12 179.097 179.097 178.291 0.806 25240 4347 1 6 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.369 -0.601 25240 4348 1 6 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.312 -0.358 25240 4349 1 6 . 1 1 12 12 LYS H H 12 7.010 7.010 7.601 -0.591 25240 4350 1 6 . 1 1 13 13 THR N N 13 114.683 114.683 115.658 -0.975 25240 4351 1 6 . 1 1 13 13 THR HA H 13 3.951 3.951 3.988 -0.037 25240 4352 1 6 . 1 1 13 13 THR C C 13 177.424 177.424 176.798 0.626 25240 4353 1 6 . 1 1 13 13 THR CA C 13 66.063 66.063 66.925 -0.862 25240 4354 1 6 . 1 1 13 13 THR CB C 13 67.666 67.666 68.366 -0.700 25240 4355 1 6 . 1 1 13 13 THR H H 13 8.309 8.309 8.454 -0.145 25240 4356 1 6 . 1 1 14 14 THR N N 14 118.012 118.012 119.337 -1.325 25240 4357 1 6 . 1 1 14 14 THR HA H 14 4.015 4.015 3.451 0.564 25240 4358 1 6 . 1 1 14 14 THR C C 14 176.316 176.316 175.540 0.776 25240 4359 1 6 . 1 1 14 14 THR CA C 14 67.208 67.208 67.456 -0.248 25240 4360 1 6 . 1 1 14 14 THR CB C 14 62.515 62.515 68.713 -6.199 25240 4361 1 6 . 1 1 14 14 THR H H 14 8.138 8.138 7.568 0.570 25240 4362 1 6 . 1 1 15 15 TYR N N 15 120.840 120.840 122.221 -1.381 25240 4363 1 6 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.004 0.133 25240 4364 1 6 . 1 1 15 15 TYR C C 15 177.081 177.081 176.989 0.092 25240 4365 1 6 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.559 -0.875 25240 4366 1 6 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.238 0.126 25240 4367 1 6 . 1 1 15 15 TYR H H 15 7.740 7.740 8.457 -0.717 25240 4368 1 6 . 1 1 16 16 GLU N N 16 120.605 120.605 116.571 4.034 25240 4369 1 6 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.729 -0.194 25240 4370 1 6 . 1 1 16 16 GLU C C 16 178.673 178.673 179.003 -0.330 25240 4371 1 6 . 1 1 16 16 GLU CA C 16 59.997 59.997 58.908 1.089 25240 4372 1 6 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.073 -0.324 25240 4373 1 6 . 1 1 16 16 GLU H H 16 8.182 8.182 8.309 -0.127 25240 4374 1 6 . 1 1 17 17 GLU N N 17 117.384 117.384 120.181 -2.797 25240 4375 1 6 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.101 0.020 25240 4376 1 6 . 1 1 17 17 GLU C C 17 179.399 179.399 178.840 0.559 25240 4377 1 6 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.592 0.260 25240 4378 1 6 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.843 -0.407 25240 4379 1 6 . 1 1 17 17 GLU H H 17 7.839 7.839 7.525 0.314 25240 4380 1 6 . 1 1 18 18 ILE N N 18 118.004 118.004 119.605 -1.601 25240 4381 1 6 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.819 -0.286 25240 4382 1 6 . 1 1 18 18 ILE C C 18 177.081 177.081 176.007 1.074 25240 4383 1 6 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.999 2.293 25240 4384 1 6 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.094 0.384 25240 4385 1 6 . 1 1 18 18 ILE H H 18 7.558 7.558 8.179 -0.621 25240 4386 1 6 . 1 1 19 19 LYS N N 19 121.213 121.213 116.472 4.741 25240 4387 1 6 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.116 -0.467 25240 4388 1 6 . 1 1 19 19 LYS C C 19 176.719 176.719 177.660 -0.941 25240 4389 1 6 . 1 1 19 19 LYS CA C 19 59.081 59.081 57.998 1.083 25240 4390 1 6 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.229 0.984 25240 4391 1 6 . 1 1 19 19 LYS H H 19 8.387 8.387 7.378 1.009 25240 4392 1 6 . 1 1 20 20 LYS N N 20 115.307 115.307 118.266 -2.959 25240 4393 1 6 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.226 -0.105 25240 4394 1 6 . 1 1 20 20 LYS C C 20 178.008 178.008 177.563 0.445 25240 4395 1 6 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.771 0.166 25240 4396 1 6 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.419 -0.663 25240 4397 1 6 . 1 1 20 20 LYS H H 20 8.608 8.608 7.299 1.309 25240 4398 1 6 . 1 1 21 21 ASP N N 21 113.556 113.556 118.044 -4.488 25240 4399 1 6 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.736 -0.115 25240 4400 1 6 . 1 1 21 21 ASP C C 21 175.147 175.147 175.439 -0.292 25240 4401 1 6 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.828 0.904 25240 4402 1 6 . 1 1 21 21 ASP CB C 21 42.713 42.713 42.386 0.327 25240 4403 1 6 . 1 1 21 21 ASP H H 21 6.395 6.395 8.139 -1.744 25240 4404 1 6 . 1 1 22 22 LYS N N 22 116.543 116.543 115.291 1.252 25240 4405 1 6 . 1 1 22 22 LYS HA H 22 3.781 3.781 4.047 -0.266 25240 4406 1 6 . 1 1 22 22 LYS C C 22 176.900 176.900 176.430 0.470 25240 4407 1 6 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.742 -0.378 25240 4408 1 6 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.404 -1.540 25240 4409 1 6 . 1 1 22 22 LYS H H 22 7.402 7.402 8.164 -0.762 25240 4410 1 6 . 1 1 23 23 LYS N N 23 114.417 114.417 116.815 -2.398 25240 4411 1 6 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.256 -0.702 25240 4412 1 6 . 1 1 23 23 LYS C C 23 175.106 175.106 177.618 -2.512 25240 4413 1 6 . 1 1 23 23 LYS CA C 23 58.623 58.623 56.258 2.365 25240 4414 1 6 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.477 1.538 25240 4415 1 6 . 1 1 23 23 LYS H H 23 7.512 7.512 8.131 -0.619 25240 4416 1 6 . 1 1 24 24 HIS N N 24 108.361 108.361 118.936 -10.575 25240 4417 1 6 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.566 -0.778 25240 4418 1 6 . 1 1 24 24 HIS C C 24 175.308 175.308 174.851 0.457 25240 4419 1 6 . 1 1 24 24 HIS CA C 24 51.298 51.298 56.170 -4.872 25240 4420 1 6 . 1 1 24 24 HIS CB C 24 32.412 32.412 28.288 4.124 25240 4421 1 6 . 1 1 24 24 HIS H H 24 6.099 6.099 8.374 -2.275 25240 4422 1 6 . 1 1 25 25 ARG N N 25 120.707 120.707 121.033 -0.326 25240 4423 1 6 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.029 0.079 25240 4424 1 6 . 1 1 25 25 ARG C C 25 173.091 173.091 175.677 -2.586 25240 4425 1 6 . 1 1 25 25 ARG CA C 25 55.189 55.189 59.572 -4.383 25240 4426 1 6 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.169 -0.588 25240 4427 1 6 . 1 1 25 25 ARG H H 25 8.066 8.066 7.861 0.205 25240 4428 1 6 . 1 1 26 26 TYR N N 26 106.634 106.634 116.222 -9.588 25240 4429 1 6 . 1 1 26 26 TYR HA H 26 5.066 5.066 4.966 0.100 25240 4430 1 6 . 1 1 26 26 TYR C C 26 172.224 172.224 173.190 -0.966 25240 4431 1 6 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.382 -0.650 25240 4432 1 6 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.426 0.685 25240 4433 1 6 . 1 1 26 26 TYR H H 26 6.515 6.515 8.113 -1.598 25240 4434 1 6 . 1 1 27 27 VAL N N 27 116.941 116.941 127.761 -10.820 25240 4435 1 6 . 1 1 27 27 VAL HA H 27 4.763 4.763 3.894 0.869 25240 4436 1 6 . 1 1 27 27 VAL C C 27 173.514 173.514 173.771 -0.257 25240 4437 1 6 . 1 1 27 27 VAL CA C 27 59.310 59.310 60.437 -1.127 25240 4438 1 6 . 1 1 27 27 VAL CB C 27 36.189 36.189 32.859 3.330 25240 4439 1 6 . 1 1 27 27 VAL H H 27 8.843 8.843 8.020 0.823 25240 4440 1 6 . 1 1 28 28 ILE N N 28 125.708 125.708 127.996 -2.288 25240 4441 1 6 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.421 0.620 25240 4442 1 6 . 1 1 28 28 ILE C C 28 175.590 175.590 175.080 0.510 25240 4443 1 6 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.706 -1.312 25240 4444 1 6 . 1 1 28 28 ILE CB C 28 38.135 38.135 38.171 -0.036 25240 4445 1 6 . 1 1 28 28 ILE H H 28 8.915 8.915 8.510 0.405 25240 4446 1 6 . 1 1 29 29 PHE N N 29 125.649 125.649 127.470 -1.821 25240 4447 1 6 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.113 0.747 25240 4448 1 6 . 1 1 29 29 PHE C C 29 173.958 173.958 175.246 -1.288 25240 4449 1 6 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.385 -0.394 25240 4450 1 6 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.358 2.241 25240 4451 1 6 . 1 1 29 29 PHE H H 29 9.597 9.597 9.219 0.378 25240 4452 1 6 . 1 1 30 30 TYR N N 30 120.134 120.134 125.956 -5.822 25240 4453 1 6 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.642 0.741 25240 4454 1 6 . 1 1 30 30 TYR C C 30 176.840 176.840 174.049 2.791 25240 4455 1 6 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.996 -2.493 25240 4456 1 6 . 1 1 30 30 TYR CB C 30 42.027 42.027 41.194 0.833 25240 4457 1 6 . 1 1 30 30 TYR H H 30 9.556 9.556 8.971 0.585 25240 4458 1 6 . 1 1 31 31 ILE N N 31 118.577 118.577 128.332 -9.755 25240 4459 1 6 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.295 -0.213 25240 4460 1 6 . 1 1 31 31 ILE C C 31 174.562 174.562 174.878 -0.316 25240 4461 1 6 . 1 1 31 31 ILE CA C 31 61.141 61.141 60.007 1.134 25240 4462 1 6 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.110 -1.005 25240 4463 1 6 . 1 1 31 31 ILE H H 31 8.475 8.475 8.262 0.213 25240 4464 1 6 . 1 1 32 32 ARG N N 32 132.544 132.544 130.809 1.735 25240 4465 1 6 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.558 -0.301 25240 4466 1 6 . 1 1 32 32 ARG C C 32 176.557 176.557 175.697 0.860 25240 4467 1 6 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.158 -1.854 25240 4468 1 6 . 1 1 32 32 ARG CB C 32 31.496 31.496 31.225 0.271 25240 4469 1 6 . 1 1 32 32 ARG H H 32 8.994 8.994 9.232 -0.238 25240 4470 1 6 . 1 1 33 33 ASP N N 33 128.042 128.042 123.381 4.661 25240 4471 1 6 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.420 -0.163 25240 4472 1 6 . 1 1 33 33 ASP C C 33 173.615 173.615 175.490 -1.875 25240 4473 1 6 . 1 1 33 33 ASP CA C 33 55.876 55.876 55.745 0.131 25240 4474 1 6 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.039 -0.073 25240 4475 1 6 . 1 1 33 33 ASP H H 33 9.442 9.442 9.201 0.241 25240 4476 1 6 . 1 1 34 34 GLU N N 34 108.952 108.952 112.954 -4.002 25240 4477 1 6 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.943 0.590 25240 4478 1 6 . 1 1 34 34 GLU C C 34 174.844 174.844 175.362 -0.518 25240 4479 1 6 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.996 0.398 25240 4480 1 6 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.328 -0.723 25240 4481 1 6 . 1 1 34 34 GLU H H 34 8.532 8.532 8.125 0.407 25240 4482 1 6 . 1 1 35 35 LYS N N 35 114.285 114.285 111.475 2.810 25240 4483 1 6 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.513 0.020 25240 4484 1 6 . 1 1 35 35 LYS C C 35 175.530 175.530 174.691 0.839 25240 4485 1 6 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.991 0.373 25240 4486 1 6 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.182 1.351 25240 4487 1 6 . 1 1 35 35 LYS H H 35 7.911 7.911 8.179 -0.268 25240 4488 1 6 . 1 1 36 36 GLN N N 36 118.851 118.851 116.892 1.959 25240 4489 1 6 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.901 0.126 25240 4490 1 6 . 1 1 36 36 GLN C C 36 174.139 174.139 174.404 -0.265 25240 4491 1 6 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.742 0.761 25240 4492 1 6 . 1 1 36 36 GLN CB C 36 33.213 33.213 33.036 0.177 25240 4493 1 6 . 1 1 36 36 GLN H H 36 7.483 7.483 8.252 -0.769 25240 4494 1 6 . 1 1 37 37 ILE N N 37 127.682 127.682 118.892 8.790 25240 4495 1 6 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.324 -0.029 25240 4496 1 6 . 1 1 37 37 ILE C C 37 173.333 173.333 175.217 -1.884 25240 4497 1 6 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.793 0.493 25240 4498 1 6 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.905 -0.884 25240 4499 1 6 . 1 1 37 37 ILE H H 37 9.208 9.208 8.930 0.278 25240 4500 1 6 . 1 1 38 38 ASP N N 38 128.702 128.702 124.494 4.208 25240 4501 1 6 . 1 1 38 38 ASP HA H 38 5.037 5.037 4.934 0.103 25240 4502 1 6 . 1 1 38 38 ASP C C 38 175.147 175.147 174.336 0.811 25240 4503 1 6 . 1 1 38 38 ASP CA C 38 51.870 51.870 53.354 -1.484 25240 4504 1 6 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.436 0.482 25240 4505 1 6 . 1 1 38 38 ASP H H 38 9.380 9.380 8.349 1.031 25240 4506 1 6 . 1 1 39 39 VAL N N 39 122.387 122.387 121.904 0.483 25240 4507 1 6 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.551 -0.684 25240 4508 1 6 . 1 1 39 39 VAL C C 39 175.268 175.268 175.157 0.111 25240 4509 1 6 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.827 2.061 25240 4510 1 6 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.602 0.069 25240 4511 1 6 . 1 1 39 39 VAL H H 39 8.769 8.769 8.584 0.185 25240 4512 1 6 . 1 1 40 40 GLU N N 40 128.576 128.576 126.723 1.853 25240 4513 1 6 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.440 -0.173 25240 4514 1 6 . 1 1 40 40 GLU C C 40 175.711 175.711 176.282 -0.571 25240 4515 1 6 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.540 1.168 25240 4516 1 6 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.811 0.944 25240 4517 1 6 . 1 1 40 40 GLU H H 40 9.512 9.512 8.552 0.960 25240 4518 1 6 . 1 1 41 41 THR N N 41 111.962 111.962 116.847 -4.885 25240 4519 1 6 . 1 1 41 41 THR HA H 41 4.423 4.423 4.533 -0.110 25240 4520 1 6 . 1 1 41 41 THR C C 41 171.559 171.559 172.236 -0.677 25240 4521 1 6 . 1 1 41 41 THR CA C 41 61.256 61.256 61.643 -0.387 25240 4522 1 6 . 1 1 41 41 THR CB C 41 71.901 71.901 71.016 0.885 25240 4523 1 6 . 1 1 41 41 THR H H 41 7.277 7.277 7.641 -0.364 25240 4524 1 6 . 1 1 42 42 VAL N N 42 123.660 123.660 125.618 -1.958 25240 4525 1 6 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.269 -0.026 25240 4526 1 6 . 1 1 42 42 VAL C C 42 173.877 173.877 173.608 0.269 25240 4527 1 6 . 1 1 42 42 VAL CA C 42 60.684 60.684 60.243 0.441 25240 4528 1 6 . 1 1 42 42 VAL CB C 42 34.015 34.015 34.008 0.007 25240 4529 1 6 . 1 1 42 42 VAL H H 42 8.264 8.264 8.522 -0.258 25240 4530 1 6 . 1 1 43 43 ALA N N 43 126.970 126.970 131.750 -4.780 25240 4531 1 6 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.880 -0.444 25240 4532 1 6 . 1 1 43 43 ALA C C 43 176.759 176.759 175.582 1.177 25240 4533 1 6 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.100 0.053 25240 4534 1 6 . 1 1 43 43 ALA CB C 43 20.737 20.737 21.032 -0.295 25240 4535 1 6 . 1 1 43 43 ALA H H 43 7.420 7.420 8.938 -1.518 25240 4536 1 6 . 1 1 44 44 ASP N N 44 120.831 120.831 124.965 -4.134 25240 4537 1 6 . 1 1 44 44 ASP HA H 44 4.575 4.575 5.004 -0.429 25240 4538 1 6 . 1 1 44 44 ASP C C 44 175.771 175.771 177.743 -1.972 25240 4539 1 6 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.636 1.523 25240 4540 1 6 . 1 1 44 44 ASP CB C 44 41.798 41.798 42.882 -1.084 25240 4541 1 6 . 1 1 44 44 ASP H H 44 8.285 8.285 8.693 -0.408 25240 4542 1 6 . 1 1 45 45 ARG N N 45 118.015 118.015 117.116 0.899 25240 4543 1 6 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.208 -0.648 25240 4544 1 6 . 1 1 45 45 ARG C C 45 175.764 175.764 177.706 -1.942 25240 4545 1 6 . 1 1 45 45 ARG CA C 45 56.792 56.792 57.338 -0.546 25240 4546 1 6 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.579 0.429 25240 4547 1 6 . 1 1 45 45 ARG H H 45 8.020 8.020 8.628 -0.608 25240 4548 1 6 . 1 1 46 46 ASN N N 46 113.620 113.620 119.313 -5.693 25240 4549 1 6 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.479 0.175 25240 4550 1 6 . 1 1 46 46 ASN C C 46 175.090 175.090 175.698 -0.608 25240 4551 1 6 . 1 1 46 46 ASN CA C 46 52.900 52.900 55.166 -2.265 25240 4552 1 6 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.657 -0.865 25240 4553 1 6 . 1 1 46 46 ASN H H 46 8.184 8.184 8.693 -0.509 25240 4554 1 6 . 1 1 47 47 ALA N N 47 124.076 124.076 122.175 1.901 25240 4555 1 6 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.485 -0.278 25240 4556 1 6 . 1 1 47 47 ALA C C 47 176.472 176.472 176.064 0.408 25240 4557 1 6 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.178 1.837 25240 4558 1 6 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.570 0.396 25240 4559 1 6 . 1 1 47 47 ALA H H 47 7.515 7.515 7.837 -0.322 25240 4560 1 6 . 1 1 48 48 GLU N N 48 117.871 117.871 119.910 -2.039 25240 4561 1 6 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.104 0.674 25240 4562 1 6 . 1 1 48 48 GLU C C 48 178.259 178.259 176.445 1.814 25240 4563 1 6 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.256 0.476 25240 4564 1 6 . 1 1 48 48 GLU CB C 48 32.755 32.755 31.227 1.528 25240 4565 1 6 . 1 1 48 48 GLU H H 48 8.327 8.327 8.427 -0.100 25240 4566 1 6 . 1 1 49 49 TYR N N 49 122.704 122.704 118.066 4.638 25240 4567 1 6 . 1 1 49 49 TYR HA H 49 3.835 3.835 3.881 -0.046 25240 4568 1 6 . 1 1 49 49 TYR C C 49 176.809 176.809 177.573 -0.764 25240 4569 1 6 . 1 1 49 49 TYR CA C 49 62.744 62.744 61.956 0.788 25240 4570 1 6 . 1 1 49 49 TYR CB C 49 38.250 38.250 38.194 0.056 25240 4571 1 6 . 1 1 49 49 TYR H H 49 9.164 9.164 8.395 0.769 25240 4572 1 6 . 1 1 50 50 ASP N N 50 114.152 114.152 118.131 -3.979 25240 4573 1 6 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.331 -0.194 25240 4574 1 6 . 1 1 50 50 ASP C C 50 178.832 178.832 178.618 0.214 25240 4575 1 6 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.288 -0.924 25240 4576 1 6 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.277 -0.540 25240 4577 1 6 . 1 1 50 50 ASP H H 50 8.516 8.516 8.662 -0.146 25240 4578 1 6 . 1 1 51 51 GLN N N 51 120.262 120.262 118.006 2.256 25240 4579 1 6 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.067 -0.155 25240 4580 1 6 . 1 1 51 51 GLN C C 51 177.180 177.180 178.223 -1.043 25240 4581 1 6 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.201 0.651 25240 4582 1 6 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.503 0.360 25240 4583 1 6 . 1 1 51 51 GLN H H 51 7.290 7.290 7.600 -0.310 25240 4584 1 6 . 1 1 52 52 PHE N N 52 121.864 121.864 119.866 1.998 25240 4585 1 6 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.203 -0.956 25240 4586 1 6 . 1 1 52 52 PHE C C 52 175.697 175.697 177.510 -1.813 25240 4587 1 6 . 1 1 52 52 PHE CA C 52 60.569 60.569 60.069 0.500 25240 4588 1 6 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.084 0.509 25240 4589 1 6 . 1 1 52 52 PHE H H 52 6.926 6.926 7.309 -0.383 25240 4590 1 6 . 1 1 53 53 LEU N N 53 116.512 116.512 117.950 -1.438 25240 4591 1 6 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.802 -0.609 25240 4592 1 6 . 1 1 53 53 LEU C C 53 179.877 179.877 178.967 0.910 25240 4593 1 6 . 1 1 53 53 LEU CA C 53 56.449 56.449 56.504 -0.055 25240 4594 1 6 . 1 1 53 53 LEU CB C 53 41.340 41.340 40.206 1.134 25240 4595 1 6 . 1 1 53 53 LEU H H 53 7.382 7.382 7.695 -0.313 25240 4596 1 6 . 1 1 54 54 GLU N N 54 119.308 119.308 120.395 -1.087 25240 4597 1 6 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.919 -0.261 25240 4598 1 6 . 1 1 54 54 GLU C C 54 179.371 179.371 178.659 0.712 25240 4599 1 6 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.476 -0.232 25240 4600 1 6 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.169 -0.191 25240 4601 1 6 . 1 1 54 54 GLU H H 54 7.275 7.275 8.059 -0.784 25240 4602 1 6 . 1 1 55 55 ASP N N 55 119.986 119.986 118.525 1.461 25240 4603 1 6 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.444 -0.131 25240 4604 1 6 . 1 1 55 55 ASP C C 55 179.573 179.573 178.018 1.555 25240 4605 1 6 . 1 1 55 55 ASP CA C 55 57.364 57.364 56.817 0.547 25240 4606 1 6 . 1 1 55 55 ASP CB C 55 40.195 40.195 40.894 -0.699 25240 4607 1 6 . 1 1 55 55 ASP H H 55 8.354 8.354 7.658 0.696 25240 4608 1 6 . 1 1 56 56 ILE N N 56 121.615 121.615 117.959 3.656 25240 4609 1 6 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.650 -0.177 25240 4610 1 6 . 1 1 56 56 ILE C C 56 173.674 173.674 177.551 -3.877 25240 4611 1 6 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.929 0.532 25240 4612 1 6 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.808 -1.046 25240 4613 1 6 . 1 1 56 56 ILE H H 56 8.093 8.093 7.117 0.976 25240 4614 1 6 . 1 1 57 57 GLN N N 57 113.032 113.032 118.742 -5.710 25240 4615 1 6 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.171 -0.024 25240 4616 1 6 . 1 1 57 57 GLN C C 57 178.899 178.899 177.070 1.829 25240 4617 1 6 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.939 -1.948 25240 4618 1 6 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.655 3.299 25240 4619 1 6 . 1 1 57 57 GLN H H 57 6.377 6.377 7.815 -1.438 25240 4620 1 6 . 1 1 58 58 LYS N N 58 122.152 122.152 116.366 5.786 25240 4621 1 6 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.226 -0.384 25240 4622 1 6 . 1 1 58 58 LYS C C 58 176.674 176.674 177.569 -0.895 25240 4623 1 6 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.559 1.865 25240 4624 1 6 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.175 -0.106 25240 4625 1 6 . 1 1 58 58 LYS H H 58 7.280 7.280 7.769 -0.489 25240 4626 1 6 . 1 1 59 59 CYS N N 59 116.543 116.543 118.782 -2.239 25240 4627 1 6 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.414 -0.268 25240 4628 1 6 . 1 1 59 59 CYS C C 59 175.056 175.056 174.018 1.038 25240 4629 1 6 . 1 1 59 59 CYS CA C 59 58.623 58.623 60.120 -1.496 25240 4630 1 6 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.512 -2.594 25240 4631 1 6 . 1 1 59 59 CYS H H 59 7.784 7.784 7.619 0.165 25240 4632 1 6 . 1 1 60 60 GLY N N 60 109.550 109.550 104.840 4.710 25240 4633 1 6 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.761 -2.443 25240 4634 1 6 . 1 1 60 60 GLY H H 60 7.542 7.542 7.341 0.201 25240 4635 1 6 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.564 -0.336 25240 4636 1 6 . 1 1 61 61 PRO C C 61 177.079 177.079 178.151 -1.072 25240 4637 1 6 . 1 1 61 61 PRO CA C 61 64.117 64.117 64.124 -0.007 25240 4638 1 6 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.412 -0.916 25240 4639 1 6 . 1 1 62 62 GLY N N 62 106.490 106.490 107.559 -1.069 25240 4640 1 6 . 1 1 62 62 GLY C C 62 174.011 174.011 173.033 0.978 25240 4641 1 6 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.472 0.645 25240 4642 1 6 . 1 1 62 62 GLY H H 62 8.479 8.479 8.568 -0.089 25240 4643 1 6 . 1 1 63 63 GLU N N 63 119.465 119.465 114.556 4.909 25240 4644 1 6 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.560 -0.262 25240 4645 1 6 . 1 1 63 63 GLU C C 63 173.775 173.775 173.780 -0.005 25240 4646 1 6 . 1 1 63 63 GLU CA C 63 54.961 54.961 55.074 -0.113 25240 4647 1 6 . 1 1 63 63 GLU CB C 63 33.557 33.557 31.788 1.769 25240 4648 1 6 . 1 1 63 63 GLU H H 63 7.001 7.001 7.511 -0.510 25240 4649 1 6 . 1 1 64 64 CYS N N 64 111.402 111.402 119.665 -8.263 25240 4650 1 6 . 1 1 64 64 CYS HA H 64 4.509 4.509 4.819 -0.310 25240 4651 1 6 . 1 1 64 64 CYS C C 64 173.371 173.371 174.132 -0.761 25240 4652 1 6 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.214 -0.567 25240 4653 1 6 . 1 1 64 64 CYS CB C 64 31.267 31.267 32.041 -0.774 25240 4654 1 6 . 1 1 64 64 CYS H H 64 6.622 6.622 8.649 -2.027 25240 4655 1 6 . 1 1 65 65 ARG N N 65 117.835 117.835 118.762 -0.927 25240 4656 1 6 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.202 0.472 25240 4657 1 6 . 1 1 65 65 ARG C C 65 174.820 174.820 175.345 -0.525 25240 4658 1 6 . 1 1 65 65 ARG CA C 65 53.587 53.587 53.166 0.421 25240 4659 1 6 . 1 1 65 65 ARG CB C 65 39.737 39.737 32.026 7.711 25240 4660 1 6 . 1 1 65 65 ARG H H 65 8.621 8.621 8.455 0.166 25240 4661 1 6 . 1 1 66 66 TYR N N 66 114.314 114.314 117.433 -3.119 25240 4662 1 6 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.031 1.044 25240 4663 1 6 . 1 1 66 66 TYR C C 66 176.068 176.068 176.157 -0.089 25240 4664 1 6 . 1 1 66 66 TYR CA C 66 54.846 54.846 56.348 -1.502 25240 4665 1 6 . 1 1 66 66 TYR CB C 66 41.798 41.798 41.047 0.751 25240 4666 1 6 . 1 1 66 66 TYR H H 66 8.256 8.256 8.502 -0.246 25240 4667 1 6 . 1 1 67 67 GLY N N 67 107.717 107.717 106.403 1.314 25240 4668 1 6 . 1 1 67 67 GLY C C 67 170.135 170.135 171.680 -1.545 25240 4669 1 6 . 1 1 67 67 GLY CA C 67 45.575 45.575 44.776 0.798 25240 4670 1 6 . 1 1 67 67 GLY H H 67 9.831 9.831 8.862 0.969 25240 4671 1 6 . 1 1 68 68 LEU N N 68 127.494 127.494 124.959 2.535 25240 4672 1 6 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.548 -0.054 25240 4673 1 6 . 1 1 68 68 LEU C C 68 173.674 173.674 174.583 -0.909 25240 4674 1 6 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.645 -0.321 25240 4675 1 6 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.956 2.220 25240 4676 1 6 . 1 1 68 68 LEU H H 68 9.391 9.391 8.214 1.177 25240 4677 1 6 . 1 1 69 69 PHE N N 69 126.775 126.775 129.003 -2.228 25240 4678 1 6 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.882 -1.379 25240 4679 1 6 . 1 1 69 69 PHE C C 69 172.629 172.629 173.978 -1.349 25240 4680 1 6 . 1 1 69 69 PHE CA C 69 56.334 56.334 54.871 1.463 25240 4681 1 6 . 1 1 69 69 PHE CB C 69 43.744 43.744 43.425 0.319 25240 4682 1 6 . 1 1 69 69 PHE H H 69 8.017 8.017 9.755 -1.738 25240 4683 1 6 . 1 1 70 70 ASP N N 70 126.639 126.639 129.228 -2.589 25240 4684 1 6 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.560 -0.769 25240 4685 1 6 . 1 1 70 70 ASP C C 70 172.764 172.764 174.926 -2.162 25240 4686 1 6 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.565 0.564 25240 4687 1 6 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.854 -2.201 25240 4688 1 6 . 1 1 70 70 ASP H H 70 7.087 7.087 9.003 -1.916 25240 4689 1 6 . 1 1 71 71 PHE N N 71 129.107 129.107 121.808 7.299 25240 4690 1 6 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.278 -0.582 25240 4691 1 6 . 1 1 71 71 PHE C C 71 174.315 174.315 173.803 0.512 25240 4692 1 6 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.952 2.900 25240 4693 1 6 . 1 1 71 71 PHE CB C 71 42.713 42.713 42.303 0.410 25240 4694 1 6 . 1 1 71 71 PHE H H 71 8.656 8.656 7.967 0.689 25240 4695 1 6 . 1 1 72 72 GLU N N 72 126.483 126.483 123.297 3.186 25240 4696 1 6 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.696 0.455 25240 4697 1 6 . 1 1 72 72 GLU C C 72 175.090 175.090 175.196 -0.106 25240 4698 1 6 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.340 -0.608 25240 4699 1 6 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.529 2.311 25240 4700 1 6 . 1 1 72 72 GLU H H 72 8.134 8.134 8.797 -0.663 25240 4701 1 6 . 1 1 73 73 TYR N N 73 120.527 120.527 127.167 -6.640 25240 4702 1 6 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.919 -0.244 25240 4703 1 6 . 1 1 73 73 TYR C C 73 172.966 172.966 174.517 -1.551 25240 4704 1 6 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.825 -1.834 25240 4705 1 6 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.025 -1.516 25240 4706 1 6 . 1 1 73 73 TYR H H 73 8.504 8.504 8.799 -0.295 25240 4707 1 6 . 1 1 74 74 MET N N 74 118.604 118.604 126.192 -7.588 25240 4708 1 6 . 1 1 74 74 MET HA H 74 4.729 4.729 5.084 -0.355 25240 4709 1 6 . 1 1 74 74 MET C C 74 176.000 176.000 174.454 1.546 25240 4710 1 6 . 1 1 74 74 MET CA C 74 53.930 53.930 54.004 -0.074 25240 4711 1 6 . 1 1 74 74 MET CB C 74 32.412 32.412 33.075 -0.663 25240 4712 1 6 . 1 1 74 74 MET H H 74 8.752 8.752 8.413 0.339 25240 4713 1 6 . 1 1 75 75 HIS N N 75 123.810 123.810 121.804 2.006 25240 4714 1 6 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.973 -0.298 25240 4715 1 6 . 1 1 75 75 HIS C C 75 174.112 174.112 173.999 0.113 25240 4716 1 6 . 1 1 75 75 HIS CA C 75 55.762 55.762 54.659 1.103 25240 4717 1 6 . 1 1 75 75 HIS CB C 75 32.755 32.755 31.491 1.264 25240 4718 1 6 . 1 1 75 75 HIS H H 75 8.902 8.902 8.543 0.359 25240 4719 1 6 . 1 1 76 76 GLN N N 76 125.324 125.324 123.170 2.154 25240 4720 1 6 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.555 -0.259 25240 4721 1 6 . 1 1 76 76 GLN C C 76 175.056 175.056 176.006 -0.950 25240 4722 1 6 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.548 -0.359 25240 4723 1 6 . 1 1 76 76 GLN CB C 76 29.551 29.551 28.519 1.032 25240 4724 1 6 . 1 1 76 76 GLN H H 76 8.292 8.292 8.839 -0.547 25240 4725 1 6 . 1 1 77 77 CYS N N 77 123.013 123.013 125.735 -2.722 25240 4726 1 6 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.860 -0.564 25240 4727 1 6 . 1 1 77 77 CYS C C 77 174.719 174.719 175.137 -0.418 25240 4728 1 6 . 1 1 77 77 CYS CA C 77 58.738 58.738 59.037 -0.299 25240 4729 1 6 . 1 1 77 77 CYS CB C 77 27.948 27.948 27.915 0.033 25240 4730 1 6 . 1 1 77 77 CYS H H 77 8.420 8.420 8.830 -0.410 25240 4731 1 6 . 1 1 78 78 GLN N N 78 123.960 123.960 127.077 -3.117 25240 4732 1 6 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.996 0.104 25240 4733 1 6 . 1 1 78 78 GLN C C 78 176.910 176.910 175.092 1.818 25240 4734 1 6 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.073 -0.052 25240 4735 1 6 . 1 1 78 78 GLN CB C 78 28.635 28.635 27.460 1.175 25240 4736 1 6 . 1 1 78 78 GLN H H 78 8.658 8.658 8.756 -0.098 25240 4737 1 6 . 1 1 79 79 GLY N N 79 111.173 111.173 105.330 5.843 25240 4738 1 6 . 1 1 79 79 GLY C C 79 174.315 174.315 175.160 -0.845 25240 4739 1 6 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.187 0.273 25240 4740 1 6 . 1 1 79 79 GLY H H 79 8.636 8.636 7.995 0.641 25240 4741 1 6 . 1 1 80 80 THR N N 80 111.761 111.761 117.591 -5.830 25240 4742 1 6 . 1 1 80 80 THR HA H 80 4.483 4.483 4.270 0.213 25240 4743 1 6 . 1 1 80 80 THR C C 80 174.483 174.483 174.496 -0.013 25240 4744 1 6 . 1 1 80 80 THR CA C 80 60.912 60.912 63.344 -2.432 25240 4745 1 6 . 1 1 80 80 THR CB C 80 70.413 70.413 69.667 0.746 25240 4746 1 6 . 1 1 80 80 THR H H 80 7.730 7.730 7.638 0.092 25240 4747 1 6 . 1 1 81 81 SER N N 81 116.277 116.277 121.500 -5.223 25240 4748 1 6 . 1 1 81 81 SER HA H 81 3.810 3.810 4.281 -0.471 25240 4749 1 6 . 1 1 81 81 SER C C 81 174.517 174.517 174.866 -0.349 25240 4750 1 6 . 1 1 81 81 SER CA C 81 58.738 58.738 58.711 0.027 25240 4751 1 6 . 1 1 81 81 SER CB C 81 63.545 63.545 62.637 0.908 25240 4752 1 6 . 1 1 81 81 SER H H 81 8.312 8.312 8.787 -0.475 25240 4753 1 6 . 1 1 82 82 GLU N N 82 121.911 121.911 124.367 -2.456 25240 4754 1 6 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.319 -0.070 25240 4755 1 6 . 1 1 82 82 GLU C C 82 176.202 176.202 176.552 -0.350 25240 4756 1 6 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.839 -0.390 25240 4757 1 6 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.994 0.701 25240 4758 1 6 . 1 1 82 82 GLU H H 82 8.058 8.058 8.534 -0.476 25240 4759 1 6 . 1 1 83 83 SER N N 83 117.340 117.340 113.391 3.949 25240 4760 1 6 . 1 1 83 83 SER HA H 83 4.292 4.292 3.976 0.316 25240 4761 1 6 . 1 1 83 83 SER C C 83 174.146 174.146 173.319 0.827 25240 4762 1 6 . 1 1 83 83 SER CA C 83 58.165 58.165 58.755 -0.590 25240 4763 1 6 . 1 1 83 83 SER CB C 83 64.461 64.461 62.054 2.407 25240 4764 1 6 . 1 1 83 83 SER H H 83 8.355 8.355 8.350 0.005 25240 4765 1 6 . 1 1 84 84 SER N N 84 117.340 117.340 116.099 1.241 25240 4766 1 6 . 1 1 84 84 SER HA H 84 4.734 4.734 4.140 0.594 25240 4767 1 6 . 1 1 84 84 SER C C 84 173.236 173.236 174.066 -0.830 25240 4768 1 6 . 1 1 84 84 SER CA C 84 57.708 57.708 59.333 -1.625 25240 4769 1 6 . 1 1 84 84 SER CB C 84 64.919 64.919 62.883 2.037 25240 4770 1 6 . 1 1 84 84 SER H H 84 8.435 8.435 7.944 0.491 25240 4771 1 6 . 1 1 85 85 LYS N N 85 123.283 123.283 127.685 -4.402 25240 4772 1 6 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.514 -0.059 25240 4773 1 6 . 1 1 85 85 LYS C C 85 176.236 176.236 176.107 0.129 25240 4774 1 6 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.227 0.450 25240 4775 1 6 . 1 1 85 85 LYS CB C 85 32.755 32.755 33.598 -0.843 25240 4776 1 6 . 1 1 85 85 LYS H H 85 8.274 8.274 8.330 -0.056 25240 4777 1 6 . 1 1 86 86 LYS N N 86 125.176 125.176 126.268 -1.092 25240 4778 1 6 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.613 -0.308 25240 4779 1 6 . 1 1 86 86 LYS C C 86 174.753 174.753 175.177 -0.424 25240 4780 1 6 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.522 -0.134 25240 4781 1 6 . 1 1 86 86 LYS CB C 86 34.358 34.358 36.155 -1.797 25240 4782 1 6 . 1 1 86 86 LYS H H 86 8.590 8.590 8.769 -0.179 25240 4783 1 6 . 1 1 87 87 GLN N N 87 118.903 118.903 122.666 -3.763 25240 4784 1 6 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.332 0.837 25240 4785 1 6 . 1 1 87 87 GLN C C 87 175.562 175.562 175.065 0.497 25240 4786 1 6 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.689 -1.072 25240 4787 1 6 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.027 2.668 25240 4788 1 6 . 1 1 87 87 GLN H H 87 7.946 7.946 8.577 -0.631 25240 4789 1 6 . 1 1 88 88 LYS N N 88 124.114 124.114 126.112 -1.998 25240 4790 1 6 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.281 0.357 25240 4791 1 6 . 1 1 88 88 LYS C C 88 174.449 174.449 174.303 0.146 25240 4792 1 6 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.622 0.796 25240 4793 1 6 . 1 1 88 88 LYS CB C 88 36.876 36.876 34.041 2.835 25240 4794 1 6 . 1 1 88 88 LYS H H 88 9.258 9.258 8.603 0.655 25240 4795 1 6 . 1 1 89 89 LEU N N 89 123.968 123.968 123.983 -0.015 25240 4796 1 6 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.342 -0.222 25240 4797 1 6 . 1 1 89 89 LEU C C 89 176.843 176.843 176.114 0.729 25240 4798 1 6 . 1 1 89 89 LEU CA C 89 54.617 54.617 53.893 0.724 25240 4799 1 6 . 1 1 89 89 LEU CB C 89 43.972 43.972 43.074 0.898 25240 4800 1 6 . 1 1 89 89 LEU H H 89 8.318 8.318 8.408 -0.090 25240 4801 1 6 . 1 1 90 90 PHE N N 90 118.366 118.366 121.892 -3.526 25240 4802 1 6 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.452 -0.005 25240 4803 1 6 . 1 1 90 90 PHE C C 90 171.786 171.786 174.606 -2.820 25240 4804 1 6 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.377 -1.188 25240 4805 1 6 . 1 1 90 90 PHE CB C 90 43.286 43.286 42.577 0.709 25240 4806 1 6 . 1 1 90 90 PHE H H 90 8.465 8.465 9.507 -1.042 25240 4807 1 6 . 1 1 91 91 LEU N N 91 121.719 121.719 126.121 -4.402 25240 4808 1 6 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.270 0.235 25240 4809 1 6 . 1 1 91 91 LEU C C 91 174.449 174.449 175.338 -0.889 25240 4810 1 6 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.903 -1.003 25240 4811 1 6 . 1 1 91 91 LEU CB C 91 47.177 47.177 44.675 2.502 25240 4812 1 6 . 1 1 91 91 LEU H H 91 8.437 8.437 9.583 -1.146 25240 4813 1 6 . 1 1 92 92 MET N N 92 126.389 126.389 125.560 0.829 25240 4814 1 6 . 1 1 92 92 MET HA H 92 6.176 6.176 6.091 0.085 25240 4815 1 6 . 1 1 92 92 MET C C 92 176.169 176.169 175.717 0.452 25240 4816 1 6 . 1 1 92 92 MET CA C 92 53.015 53.015 53.749 -0.734 25240 4817 1 6 . 1 1 92 92 MET CB C 92 39.623 39.623 34.696 4.927 25240 4818 1 6 . 1 1 92 92 MET H H 92 10.273 10.273 9.387 0.886 25240 4819 1 6 . 1 1 93 93 SER N N 93 120.841 120.841 120.795 0.046 25240 4820 1 6 . 1 1 93 93 SER HA H 93 4.885 4.885 5.094 -0.209 25240 4821 1 6 . 1 1 93 93 SER C C 93 172.225 172.225 174.104 -1.879 25240 4822 1 6 . 1 1 93 93 SER CA C 93 56.563 56.563 58.452 -1.889 25240 4823 1 6 . 1 1 93 93 SER CB C 93 63.545 63.545 63.736 -0.191 25240 4824 1 6 . 1 1 93 93 SER H H 93 9.038 9.038 8.740 0.298 25240 4825 1 6 . 1 1 94 94 TRP N N 94 129.918 129.918 129.650 0.268 25240 4826 1 6 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.065 0.082 25240 4827 1 6 . 1 1 94 94 TRP C C 94 173.270 173.270 176.157 -2.887 25240 4828 1 6 . 1 1 94 94 TRP CA C 94 54.961 54.961 58.422 -3.461 25240 4829 1 6 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.863 0.832 25240 4830 1 6 . 1 1 94 94 TRP H H 94 9.001 9.001 8.835 0.166 25240 4831 1 6 . 1 1 95 95 CYS N N 95 122.538 122.538 125.675 -3.137 25240 4832 1 6 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.792 0.029 25240 4833 1 6 . 1 1 95 95 CYS CA C 95 53.813 53.813 56.305 -2.492 25240 4834 1 6 . 1 1 95 95 CYS H H 95 7.319 7.319 9.201 -1.882 25240 4835 1 6 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.607 -0.788 25240 4836 1 6 . 1 1 96 96 PRO C C 96 177.888 177.888 176.900 0.988 25240 4837 1 6 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.044 -1.216 25240 4838 1 6 . 1 1 96 96 PRO CB C 96 31.840 31.840 32.155 -0.315 25240 4839 1 6 . 1 1 97 97 ASP N N 97 118.960 118.960 123.063 -4.103 25240 4840 1 6 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.428 -0.370 25240 4841 1 6 . 1 1 97 97 ASP C C 97 176.809 176.809 176.572 0.237 25240 4842 1 6 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.490 0.415 25240 4843 1 6 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.880 0.002 25240 4844 1 6 . 1 1 97 97 ASP H H 97 8.040 8.040 8.890 -0.850 25240 4845 1 6 . 1 1 98 98 THR N N 98 104.267 104.267 114.679 -10.412 25240 4846 1 6 . 1 1 98 98 THR HA H 98 3.856 3.856 4.372 -0.516 25240 4847 1 6 . 1 1 98 98 THR C C 98 174.921 174.921 173.720 1.201 25240 4848 1 6 . 1 1 98 98 THR CA C 98 61.599 61.599 62.316 -0.717 25240 4849 1 6 . 1 1 98 98 THR CB C 98 68.925 68.925 68.193 0.732 25240 4850 1 6 . 1 1 98 98 THR H H 98 6.917 6.917 8.129 -1.212 25240 4851 1 6 . 1 1 99 99 ALA N N 99 125.807 125.807 123.370 2.437 25240 4852 1 6 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.510 -0.494 25240 4853 1 6 . 1 1 99 99 ALA C C 99 177.045 177.045 176.587 0.458 25240 4854 1 6 . 1 1 99 99 ALA CA C 99 52.099 52.099 50.957 1.142 25240 4855 1 6 . 1 1 99 99 ALA CB C 99 19.020 19.020 20.382 -1.362 25240 4856 1 6 . 1 1 99 99 ALA H H 99 7.496 7.496 7.230 0.266 25240 4857 1 6 . 1 1 100 100 LYS N N 100 119.465 119.465 121.572 -2.107 25240 4858 1 6 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.151 -0.066 25240 4859 1 6 . 1 1 100 100 LYS C C 100 178.832 178.832 177.933 0.899 25240 4860 1 6 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.642 -0.308 25240 4861 1 6 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.949 -0.422 25240 4862 1 6 . 1 1 100 100 LYS H H 100 8.271 8.271 7.912 0.359 25240 4863 1 6 . 1 1 101 101 VAL N N 101 123.351 123.351 125.292 -1.941 25240 4864 1 6 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.779 -0.382 25240 4865 1 6 . 1 1 101 101 VAL C C 101 177.584 177.584 177.388 0.196 25240 4866 1 6 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.650 1.329 25240 4867 1 6 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.766 -0.270 25240 4868 1 6 . 1 1 101 101 VAL H H 101 8.518 8.518 8.638 -0.120 25240 4869 1 6 . 1 1 102 102 LYS N N 102 118.249 118.249 119.061 -0.812 25240 4870 1 6 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.206 -0.275 25240 4871 1 6 . 1 1 102 102 LYS C C 102 179.540 179.540 178.332 1.208 25240 4872 1 6 . 1 1 102 102 LYS CA C 102 59.882 59.882 58.465 1.417 25240 4873 1 6 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.868 0.430 25240 4874 1 6 . 1 1 102 102 LYS H H 102 8.558 8.558 8.313 0.245 25240 4875 1 6 . 1 1 103 103 LYS N N 103 118.668 118.668 121.009 -2.341 25240 4876 1 6 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.224 -0.106 25240 4877 1 6 . 1 1 103 103 LYS C C 103 177.921 177.921 178.084 -0.163 25240 4878 1 6 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.288 -0.894 25240 4879 1 6 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.554 -0.714 25240 4880 1 6 . 1 1 103 103 LYS H H 103 6.854 6.854 8.066 -1.212 25240 4881 1 6 . 1 1 104 104 LYS N N 104 119.199 119.199 118.860 0.339 25240 4882 1 6 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.321 -0.427 25240 4883 1 6 . 1 1 104 104 LYS C C 104 180.011 180.011 178.292 1.719 25240 4884 1 6 . 1 1 104 104 LYS CA C 104 60.684 60.684 59.201 1.483 25240 4885 1 6 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.782 -0.057 25240 4886 1 6 . 1 1 104 104 LYS H H 104 8.048 8.048 8.081 -0.033 25240 4887 1 6 . 1 1 105 105 MET N N 105 118.021 118.021 120.360 -2.339 25240 4888 1 6 . 1 1 105 105 MET HA H 105 4.121 4.121 4.372 -0.251 25240 4889 1 6 . 1 1 105 105 MET C C 105 178.899 178.899 177.570 1.329 25240 4890 1 6 . 1 1 105 105 MET CA C 105 58.509 58.509 57.504 1.005 25240 4891 1 6 . 1 1 105 105 MET CB C 105 32.069 32.069 32.359 -0.290 25240 4892 1 6 . 1 1 105 105 MET H H 105 8.546 8.546 7.736 0.810 25240 4893 1 6 . 1 1 106 106 LEU N N 106 122.895 122.895 117.541 5.354 25240 4894 1 6 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.124 -0.088 25240 4895 1 6 . 1 1 106 106 LEU C C 106 179.910 179.910 178.652 1.258 25240 4896 1 6 . 1 1 106 106 LEU CA C 106 58.165 58.165 58.048 0.117 25240 4897 1 6 . 1 1 106 106 LEU CB C 106 41.912 41.912 40.189 1.723 25240 4898 1 6 . 1 1 106 106 LEU H H 106 7.674 7.674 7.550 0.124 25240 4899 1 6 . 1 1 107 107 TYR N N 107 119.036 119.036 121.399 -2.363 25240 4900 1 6 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.195 -0.161 25240 4901 1 6 . 1 1 107 107 TYR C C 107 181.360 181.360 177.218 4.142 25240 4902 1 6 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.618 0.294 25240 4903 1 6 . 1 1 107 107 TYR CB C 107 37.677 37.677 38.079 -0.402 25240 4904 1 6 . 1 1 107 107 TYR H H 107 8.669 8.669 8.814 -0.145 25240 4905 1 6 . 1 1 108 108 SER N N 108 118.372 118.372 115.421 2.951 25240 4906 1 6 . 1 1 108 108 SER HA H 108 4.324 4.324 3.489 0.835 25240 4907 1 6 . 1 1 108 108 SER C C 108 178.023 178.023 176.514 1.509 25240 4908 1 6 . 1 1 108 108 SER CA C 108 62.286 62.286 62.417 -0.131 25240 4909 1 6 . 1 1 108 108 SER CB C 108 63.545 63.545 62.605 0.940 25240 4910 1 6 . 1 1 108 108 SER H H 108 8.973 8.973 7.864 1.109 25240 4911 1 6 . 1 1 109 109 SER N N 109 116.727 116.727 117.421 -0.694 25240 4912 1 6 . 1 1 109 109 SER HA H 109 4.292 4.292 4.122 0.170 25240 4913 1 6 . 1 1 109 109 SER C C 109 176.405 176.405 176.508 -0.103 25240 4914 1 6 . 1 1 109 109 SER CA C 109 61.370 61.370 61.698 -0.328 25240 4915 1 6 . 1 1 109 109 SER CB C 109 63.202 63.202 63.099 0.103 25240 4916 1 6 . 1 1 109 109 SER H H 109 8.353 8.353 7.660 0.693 25240 4917 1 6 . 1 1 110 110 SER N N 110 115.229 115.229 117.698 -2.469 25240 4918 1 6 . 1 1 110 110 SER HA H 110 4.549 4.549 4.158 0.391 25240 4919 1 6 . 1 1 110 110 SER C C 110 172.899 172.899 175.943 -3.044 25240 4920 1 6 . 1 1 110 110 SER CA C 110 59.424 59.424 60.571 -1.147 25240 4921 1 6 . 1 1 110 110 SER CB C 110 62.973 62.973 62.628 0.345 25240 4922 1 6 . 1 1 110 110 SER H H 110 7.236 7.236 7.927 -0.691 25240 4923 1 6 . 1 1 111 111 PHE N N 111 120.978 120.978 122.410 -1.432 25240 4924 1 6 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.833 0.182 25240 4925 1 6 . 1 1 111 111 PHE C C 111 177.483 177.483 177.222 0.261 25240 4926 1 6 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.761 -4.053 25240 4927 1 6 . 1 1 111 111 PHE CB C 111 38.364 38.364 38.680 -0.316 25240 4928 1 6 . 1 1 111 111 PHE H H 111 7.069 7.069 8.467 -1.398 25240 4929 1 6 . 1 1 112 112 ASP N N 112 116.485 116.485 118.362 -1.877 25240 4930 1 6 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.259 -0.506 25240 4931 1 6 . 1 1 112 112 ASP C C 112 177.281 177.281 177.874 -0.593 25240 4932 1 6 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.072 1.407 25240 4933 1 6 . 1 1 112 112 ASP CB C 112 40.424 40.424 40.917 -0.493 25240 4934 1 6 . 1 1 112 112 ASP H H 112 8.305 8.305 7.661 0.644 25240 4935 1 6 . 1 1 113 113 ALA N N 113 121.059 121.059 122.169 -1.110 25240 4936 1 6 . 1 1 113 113 ALA HA H 113 3.753 3.753 4.035 -0.282 25240 4937 1 6 . 1 1 113 113 ALA C C 113 180.416 180.416 179.665 0.751 25240 4938 1 6 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.937 -0.091 25240 4939 1 6 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.502 -1.427 25240 4940 1 6 . 1 1 113 113 ALA H H 113 7.393 7.393 7.587 -0.194 25240 4941 1 6 . 1 1 114 114 LEU N N 114 118.535 118.535 115.256 3.279 25240 4942 1 6 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.987 -0.355 25240 4943 1 6 . 1 1 114 114 LEU C C 114 178.191 178.191 178.247 -0.056 25240 4944 1 6 . 1 1 114 114 LEU CA C 114 56.906 56.906 57.186 -0.280 25240 4945 1 6 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.526 0.814 25240 4946 1 6 . 1 1 114 114 LEU H H 114 6.647 6.647 8.161 -1.514 25240 4947 1 6 . 1 1 115 115 LYS N N 115 117.340 117.340 118.892 -1.552 25240 4948 1 6 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.708 -0.479 25240 4949 1 6 . 1 1 115 115 LYS C C 115 179.877 179.877 177.798 2.079 25240 4950 1 6 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.618 -0.194 25240 4951 1 6 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.683 0.271 25240 4952 1 6 . 1 1 115 115 LYS H H 115 7.730 7.730 7.484 0.246 25240 4953 1 6 . 1 1 116 116 LYS N N 116 116.144 116.144 118.763 -2.619 25240 4954 1 6 . 1 1 116 116 LYS HA H 116 3.700 3.700 3.955 -0.255 25240 4955 1 6 . 1 1 116 116 LYS C C 116 177.652 177.652 179.306 -1.654 25240 4956 1 6 . 1 1 116 116 LYS CA C 116 58.394 58.394 59.094 -0.700 25240 4957 1 6 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.295 0.232 25240 4958 1 6 . 1 1 116 116 LYS H H 116 7.714 7.714 7.297 0.417 25240 4959 1 6 . 1 1 117 117 SER N N 117 111.789 111.789 115.411 -3.622 25240 4960 1 6 . 1 1 117 117 SER HA H 117 4.179 4.179 4.091 0.088 25240 4961 1 6 . 1 1 117 117 SER C C 117 174.483 174.483 175.204 -0.721 25240 4962 1 6 . 1 1 117 117 SER CA C 117 60.912 60.912 60.922 -0.011 25240 4963 1 6 . 1 1 117 117 SER CB C 117 64.232 64.232 63.685 0.547 25240 4964 1 6 . 1 1 117 117 SER H H 117 6.957 6.957 7.412 -0.455 25240 4965 1 6 . 1 1 118 118 LEU N N 118 122.293 122.293 119.870 2.423 25240 4966 1 6 . 1 1 118 118 LEU HA H 118 3.922 3.922 4.061 -0.139 25240 4967 1 6 . 1 1 118 118 LEU C C 118 175.730 175.730 175.599 0.131 25240 4968 1 6 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.510 -1.296 25240 4969 1 6 . 1 1 118 118 LEU CB C 118 37.448 37.448 41.286 -3.838 25240 4970 1 6 . 1 1 118 118 LEU H H 118 6.997 6.997 7.777 -0.780 25240 4971 1 6 . 1 1 119 119 VAL N N 119 121.059 121.059 120.781 0.278 25240 4972 1 6 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.871 -0.244 25240 4973 1 6 . 1 1 119 119 VAL C C 119 178.697 178.697 176.865 1.832 25240 4974 1 6 . 1 1 119 119 VAL CA C 119 64.919 64.919 63.863 1.056 25240 4975 1 6 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.497 -1.115 25240 4976 1 6 . 1 1 119 119 VAL H H 119 7.347 7.347 6.841 0.506 25240 4977 1 6 . 1 1 120 120 GLY N N 120 117.377 117.377 116.225 1.152 25240 4978 1 6 . 1 1 120 120 GLY C C 120 174.517 174.517 173.604 0.913 25240 4979 1 6 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.522 0.366 25240 4980 1 6 . 1 1 120 120 GLY H H 120 9.077 9.077 8.711 0.366 25240 4981 1 6 . 1 1 121 121 VAL N N 121 122.254 122.254 119.963 2.291 25240 4982 1 6 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.965 -0.203 25240 4983 1 6 . 1 1 121 121 VAL C C 121 175.966 175.966 175.943 0.023 25240 4984 1 6 . 1 1 121 121 VAL CA C 121 64.117 64.117 62.727 1.390 25240 4985 1 6 . 1 1 121 121 VAL CB C 121 31.611 31.611 32.741 -1.130 25240 4986 1 6 . 1 1 121 121 VAL H H 121 7.316 7.316 7.676 -0.360 25240 4987 1 6 . 1 1 122 122 GLN N N 122 123.484 123.484 125.824 -2.340 25240 4988 1 6 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.350 -0.097 25240 4989 1 6 . 1 1 122 122 GLN C C 122 174.854 174.854 175.095 -0.241 25240 4990 1 6 . 1 1 122 122 GLN CA C 122 56.105 56.105 57.751 -1.646 25240 4991 1 6 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.917 1.122 25240 4992 1 6 . 1 1 122 122 GLN H H 122 8.678 8.678 8.367 0.311 25240 4993 1 6 . 1 1 123 123 LYS N N 123 117.871 117.871 119.729 -1.858 25240 4994 1 6 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.506 -0.196 25240 4995 1 6 . 1 1 123 123 LYS C C 123 173.000 173.000 174.528 -1.528 25240 4996 1 6 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.309 -1.951 25240 4997 1 6 . 1 1 123 123 LYS CB C 123 34.816 34.816 34.605 0.211 25240 4998 1 6 . 1 1 123 123 LYS H H 123 6.726 6.726 7.623 -0.897 25240 4999 1 6 . 1 1 124 124 TYR N N 124 123.352 123.352 121.887 1.465 25240 5000 1 6 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.735 0.164 25240 5001 1 6 . 1 1 124 124 TYR C C 124 175.663 175.663 175.234 0.429 25240 5002 1 6 . 1 1 124 124 TYR CA C 124 54.846 54.846 54.962 -0.116 25240 5003 1 6 . 1 1 124 124 TYR CB C 124 40.424 40.424 39.823 0.601 25240 5004 1 6 . 1 1 124 124 TYR H H 124 8.441 8.441 8.132 0.309 25240 5005 1 6 . 1 1 125 125 ILE N N 125 122.835 122.835 123.816 -0.981 25240 5006 1 6 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.622 -0.220 25240 5007 1 6 . 1 1 125 125 ILE C C 125 174.348 174.348 173.939 0.409 25240 5008 1 6 . 1 1 125 125 ILE CA C 125 59.882 59.882 60.156 -0.274 25240 5009 1 6 . 1 1 125 125 ILE CB C 125 42.256 42.256 41.689 0.567 25240 5010 1 6 . 1 1 125 125 ILE H H 125 9.123 9.123 9.474 -0.351 25240 5011 1 6 . 1 1 126 126 GLN N N 126 126.869 126.869 128.161 -1.292 25240 5012 1 6 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.774 0.103 25240 5013 1 6 . 1 1 126 126 GLN C C 126 174.146 174.146 174.277 -0.131 25240 5014 1 6 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.333 -0.258 25240 5015 1 6 . 1 1 126 126 GLN CB C 126 29.551 29.551 30.362 -0.811 25240 5016 1 6 . 1 1 126 126 GLN H H 126 8.916 8.916 8.724 0.192 25240 5017 1 6 . 1 1 127 127 ALA N N 127 127.414 127.414 129.261 -1.847 25240 5018 1 6 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.652 0.311 25240 5019 1 6 . 1 1 127 127 ALA C C 127 176.539 176.539 176.919 -0.380 25240 5020 1 6 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.681 0.273 25240 5021 1 6 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.088 1.794 25240 5022 1 6 . 1 1 127 127 ALA H H 127 8.829 8.829 8.965 -0.136 25240 5023 1 6 . 1 1 128 128 THR N N 128 112.753 112.753 115.877 -3.124 25240 5024 1 6 . 1 1 128 128 THR HA H 128 3.994 3.994 4.359 -0.365 25240 5025 1 6 . 1 1 128 128 THR C C 128 172.933 172.933 174.156 -1.223 25240 5026 1 6 . 1 1 128 128 THR CA C 128 60.912 60.912 63.056 -2.144 25240 5027 1 6 . 1 1 128 128 THR CB C 128 70.527 70.527 69.313 1.214 25240 5028 1 6 . 1 1 128 128 THR H H 128 9.350 9.350 8.638 0.712 25240 5029 1 6 . 1 1 129 129 ASP N N 129 118.551 118.551 116.927 1.624 25240 5030 1 6 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.279 0.299 25240 5031 1 6 . 1 1 129 129 ASP C C 129 176.573 176.573 175.680 0.893 25240 5032 1 6 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.993 0.022 25240 5033 1 6 . 1 1 129 129 ASP CB C 129 43.744 43.744 41.080 2.664 25240 5034 1 6 . 1 1 129 129 ASP H H 129 7.602 7.602 7.211 0.391 25240 5035 1 6 . 1 1 130 130 LEU N N 130 122.387 122.387 121.932 0.455 25240 5036 1 6 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.478 -0.501 25240 5037 1 6 . 1 1 130 130 LEU C C 130 179.202 179.202 178.384 0.818 25240 5038 1 6 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.481 0.570 25240 5039 1 6 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.368 -0.799 25240 5040 1 6 . 1 1 130 130 LEU H H 130 8.910 8.910 8.507 0.403 25240 5041 1 6 . 1 1 131 131 SER N N 131 116.410 116.410 115.172 1.238 25240 5042 1 6 . 1 1 131 131 SER HA H 131 3.856 3.856 4.271 -0.415 25240 5043 1 6 . 1 1 131 131 SER C C 131 177.180 177.180 175.857 1.323 25240 5044 1 6 . 1 1 131 131 SER CA C 131 62.515 62.515 61.409 1.106 25240 5045 1 6 . 1 1 131 131 SER CB C 131 68.352 68.352 63.002 5.350 25240 5046 1 6 . 1 1 131 131 SER H H 131 8.645 8.645 8.549 0.096 25240 5047 1 6 . 1 1 132 132 GLU N N 132 120.840 120.840 117.483 3.357 25240 5048 1 6 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.375 -0.305 25240 5049 1 6 . 1 1 132 132 GLU C C 132 175.427 175.427 176.274 -0.847 25240 5050 1 6 . 1 1 132 132 GLU CA C 132 57.021 57.021 55.898 1.123 25240 5051 1 6 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.649 1.390 25240 5052 1 6 . 1 1 132 132 GLU H H 132 7.749 7.749 7.683 0.066 25240 5053 1 6 . 1 1 133 133 ALA N N 133 117.182 117.182 120.592 -3.410 25240 5054 1 6 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.654 -0.303 25240 5055 1 6 . 1 1 133 133 ALA C C 133 175.730 175.730 177.713 -1.983 25240 5056 1 6 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.443 -1.061 25240 5057 1 6 . 1 1 133 133 ALA CB C 133 20.279 20.279 20.079 0.200 25240 5058 1 6 . 1 1 133 133 ALA H H 133 7.347 7.347 7.404 -0.057 25240 5059 1 6 . 1 1 134 134 SER N N 134 115.197 115.197 115.161 0.036 25240 5060 1 6 . 1 1 134 134 SER HA H 134 4.185 4.185 4.440 -0.255 25240 5061 1 6 . 1 1 134 134 SER C C 134 173.067 173.067 175.876 -2.809 25240 5062 1 6 . 1 1 134 134 SER CA C 134 58.509 58.509 56.615 1.894 25240 5063 1 6 . 1 1 134 134 SER CB C 134 64.690 64.690 64.338 0.352 25240 5064 1 6 . 1 1 134 134 SER H H 134 7.061 7.061 7.722 -0.661 25240 5065 1 6 . 1 1 135 135 ARG N N 135 122.190 122.190 125.247 -3.057 25240 5066 1 6 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.987 0.198 25240 5067 1 6 . 1 1 135 135 ARG C C 135 177.888 177.888 177.743 0.145 25240 5068 1 6 . 1 1 135 135 ARG CA C 135 60.111 60.111 58.626 1.485 25240 5069 1 6 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.453 0.098 25240 5070 1 6 . 1 1 135 135 ARG H H 135 8.961 8.961 8.916 0.045 25240 5071 1 6 . 1 1 136 136 GLU N N 136 115.480 115.480 119.653 -4.173 25240 5072 1 6 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.155 -0.360 25240 5073 1 6 . 1 1 136 136 GLU C C 136 178.865 178.865 177.848 1.017 25240 5074 1 6 . 1 1 136 136 GLU CA C 136 59.997 59.997 58.346 1.651 25240 5075 1 6 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.401 -0.652 25240 5076 1 6 . 1 1 136 136 GLU H H 136 8.588 8.588 7.661 0.927 25240 5077 1 6 . 1 1 137 137 ALA N N 137 123.947 123.947 122.327 1.620 25240 5078 1 6 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.244 -0.322 25240 5079 1 6 . 1 1 137 137 ALA C C 137 181.191 181.191 179.456 1.735 25240 5080 1 6 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.341 0.505 25240 5081 1 6 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.551 -0.217 25240 5082 1 6 . 1 1 137 137 ALA H H 137 7.578 7.578 7.557 0.021 25240 5083 1 6 . 1 1 138 138 VAL N N 138 119.326 119.326 118.764 0.562 25240 5084 1 6 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.516 0.389 25240 5085 1 6 . 1 1 138 138 VAL C C 138 177.584 177.584 177.610 -0.026 25240 5086 1 6 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.099 0.536 25240 5087 1 6 . 1 1 138 138 VAL CB C 138 31.039 31.039 30.694 0.345 25240 5088 1 6 . 1 1 138 138 VAL H H 138 8.108 8.108 8.346 -0.238 25240 5089 1 6 . 1 1 139 139 GLU N N 139 119.418 119.418 119.756 -0.338 25240 5090 1 6 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.783 0.288 25240 5091 1 6 . 1 1 139 139 GLU C C 139 178.157 178.157 178.028 0.129 25240 5092 1 6 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.932 0.637 25240 5093 1 6 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.961 0.132 25240 5094 1 6 . 1 1 139 139 GLU H H 139 8.248 8.248 7.705 0.543 25240 5095 1 6 . 1 1 140 140 GLU N N 140 116.410 116.410 116.404 0.006 25240 5096 1 6 . 1 1 140 140 GLU HA H 140 3.731 3.731 3.989 -0.258 25240 5097 1 6 . 1 1 140 140 GLU C C 140 179.202 179.202 178.443 0.759 25240 5098 1 6 . 1 1 140 140 GLU CA C 140 59.424 59.424 59.116 0.308 25240 5099 1 6 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.105 -0.011 25240 5100 1 6 . 1 1 140 140 GLU H H 140 7.305 7.305 8.192 -0.887 25240 5101 1 6 . 1 1 141 141 LYS N N 141 118.210 118.210 116.887 1.323 25240 5102 1 6 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.158 -0.228 25240 5103 1 6 . 1 1 141 141 LYS C C 141 179.607 179.607 177.939 1.668 25240 5104 1 6 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.200 0.194 25240 5105 1 6 . 1 1 141 141 LYS CB C 141 32.183 32.183 31.819 0.364 25240 5106 1 6 . 1 1 141 141 LYS H H 141 7.292 7.292 7.382 -0.090 25240 5107 1 6 . 1 1 142 142 LEU N N 142 119.472 119.472 117.284 2.188 25240 5108 1 6 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.354 -0.674 25240 5109 1 6 . 1 1 142 142 LEU C C 142 178.663 178.663 178.987 -0.324 25240 5110 1 6 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.013 0.351 25240 5111 1 6 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.509 -1.085 25240 5112 1 6 . 1 1 142 142 LEU H H 142 8.112 8.112 7.620 0.492 25240 5113 1 6 . 1 1 143 143 ARG N N 143 117.384 117.384 119.354 -1.970 25240 5114 1 6 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.090 -0.130 25240 5115 1 6 . 1 1 143 143 ARG C C 143 177.989 177.989 178.288 -0.299 25240 5116 1 6 . 1 1 143 143 ARG CA C 143 58.051 58.051 58.377 -0.326 25240 5117 1 6 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.309 1.386 25240 5118 1 6 . 1 1 143 143 ARG H H 143 7.832 7.832 8.721 -0.889 25240 5119 1 6 . 1 1 144 144 ALA N N 144 121.192 121.192 122.324 -1.132 25240 5120 1 6 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.252 -0.171 25240 5121 1 6 . 1 1 144 144 ALA C C 144 178.697 178.697 177.882 0.815 25240 5122 1 6 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.818 0.112 25240 5123 1 6 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.585 0.205 25240 5124 1 6 . 1 1 144 144 ALA H H 144 7.284 7.284 7.779 -0.495 25240 5125 1 6 . 1 1 145 145 THR N N 145 109.503 109.503 111.626 -2.123 25240 5126 1 6 . 1 1 145 145 THR HA H 145 4.270 4.270 4.546 -0.276 25240 5127 1 6 . 1 1 145 145 THR C C 145 174.787 174.787 173.254 1.533 25240 5128 1 6 . 1 1 145 145 THR CA C 145 61.828 61.828 61.618 0.210 25240 5129 1 6 . 1 1 145 145 THR CB C 145 68.925 68.925 69.847 -0.921 25240 5130 1 6 . 1 1 145 145 THR H H 145 7.690 7.690 7.591 0.099 25240 5131 1 6 . 1 1 146 146 ASP N N 146 122.786 122.786 121.838 0.948 25240 5132 1 6 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.769 -0.225 25240 5133 1 6 . 1 1 146 146 ASP C C 146 176.000 176.000 174.685 1.315 25240 5134 1 6 . 1 1 146 146 ASP CA C 146 54.732 54.732 52.423 2.309 25240 5135 1 6 . 1 1 146 146 ASP CB C 146 41.111 41.111 43.327 -2.216 25240 5136 1 6 . 1 1 146 146 ASP H H 146 7.873 7.873 7.574 0.299 25240 5137 1 6 . 1 1 147 147 ARG N N 147 120.926 120.926 120.305 0.621 25240 5138 1 6 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.510 -0.239 25240 5139 1 6 . 1 1 147 147 ARG C C 147 175.427 175.427 175.542 -0.115 25240 5140 1 6 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.386 0.719 25240 5141 1 6 . 1 1 147 147 ARG CB C 147 30.695 30.695 30.834 -0.139 25240 5142 1 6 . 1 1 147 147 ARG H H 147 8.048 8.048 8.188 -0.140 25240 5143 1 7 . 1 1 2 2 ALA N N 2 126.020 126.020 124.625 1.395 25240 5144 1 7 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.384 -0.177 25240 5145 1 7 . 1 1 2 2 ALA C C 2 177.605 177.605 177.252 0.353 25240 5146 1 7 . 1 1 2 2 ALA CA C 2 52.442 52.442 52.635 -0.193 25240 5147 1 7 . 1 1 2 2 ALA CB C 2 19.135 19.135 18.058 1.077 25240 5148 1 7 . 1 1 2 2 ALA H H 2 8.306 8.306 8.096 0.210 25240 5149 1 7 . 1 1 3 3 SER N N 3 115.214 115.214 117.613 -2.399 25240 5150 1 7 . 1 1 3 3 SER HA H 3 4.282 4.282 4.600 -0.318 25240 5151 1 7 . 1 1 3 3 SER C C 3 174.965 174.965 173.877 1.088 25240 5152 1 7 . 1 1 3 3 SER CA C 3 58.165 58.165 57.416 0.749 25240 5153 1 7 . 1 1 3 3 SER CB C 3 64.003 64.003 65.434 -1.431 25240 5154 1 7 . 1 1 3 3 SER H H 3 8.183 8.183 7.960 0.223 25240 5155 1 7 . 1 1 4 4 GLY N N 4 110.858 110.858 109.882 0.976 25240 5156 1 7 . 1 1 4 4 GLY C C 4 173.716 173.716 174.053 -0.337 25240 5157 1 7 . 1 1 4 4 GLY CA C 4 45.003 45.003 45.127 -0.124 25240 5158 1 7 . 1 1 4 4 GLY H H 4 8.279 8.279 8.315 -0.036 25240 5159 1 7 . 1 1 5 5 VAL N N 5 119.961 119.961 124.930 -4.969 25240 5160 1 7 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.456 -0.328 25240 5161 1 7 . 1 1 5 5 VAL C C 5 176.275 176.275 176.174 0.101 25240 5162 1 7 . 1 1 5 5 VAL CA C 5 62.172 62.172 61.858 0.314 25240 5163 1 7 . 1 1 5 5 VAL CB C 5 32.641 32.641 32.704 -0.063 25240 5164 1 7 . 1 1 5 5 VAL H H 5 7.672 7.672 8.062 -0.390 25240 5165 1 7 . 1 1 6 6 THR N N 6 115.480 115.480 124.447 -8.967 25240 5166 1 7 . 1 1 6 6 THR HA H 6 4.487 4.487 4.513 -0.026 25240 5167 1 7 . 1 1 6 6 THR C C 6 173.252 173.252 173.006 0.246 25240 5168 1 7 . 1 1 6 6 THR CA C 6 59.882 59.882 61.876 -1.994 25240 5169 1 7 . 1 1 6 6 THR CB C 6 71.328 71.328 70.424 0.904 25240 5170 1 7 . 1 1 6 6 THR H H 6 7.756 7.756 8.360 -0.604 25240 5171 1 7 . 1 1 7 7 VAL N N 7 120.262 120.262 123.189 -2.927 25240 5172 1 7 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.147 -0.068 25240 5173 1 7 . 1 1 7 7 VAL C C 7 176.215 176.215 175.792 0.423 25240 5174 1 7 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.902 0.155 25240 5175 1 7 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.776 0.781 25240 5176 1 7 . 1 1 7 7 VAL H H 7 8.447 8.447 8.352 0.095 25240 5177 1 7 . 1 1 8 8 SER N N 8 124.247 124.247 122.147 2.100 25240 5178 1 7 . 1 1 8 8 SER HA H 8 4.271 4.271 4.573 -0.302 25240 5179 1 7 . 1 1 8 8 SER C C 8 175.892 175.892 175.071 0.821 25240 5180 1 7 . 1 1 8 8 SER CA C 8 58.738 58.738 58.126 0.612 25240 5181 1 7 . 1 1 8 8 SER CB C 8 64.003 64.003 64.469 -0.466 25240 5182 1 7 . 1 1 8 8 SER H H 8 8.816 8.816 8.268 0.548 25240 5183 1 7 . 1 1 9 9 ASP N N 9 125.176 125.176 123.970 1.206 25240 5184 1 7 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.587 -0.278 25240 5185 1 7 . 1 1 9 9 ASP C C 9 178.492 178.492 177.133 1.359 25240 5186 1 7 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.742 1.195 25240 5187 1 7 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.728 -0.533 25240 5188 1 7 . 1 1 9 9 ASP H H 9 9.033 9.033 8.948 0.085 25240 5189 1 7 . 1 1 10 10 VAL N N 10 117.738 117.738 118.306 -0.568 25240 5190 1 7 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.865 0.229 25240 5191 1 7 . 1 1 10 10 VAL C C 10 179.439 179.439 177.701 1.738 25240 5192 1 7 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.095 -0.520 25240 5193 1 7 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.141 0.355 25240 5194 1 7 . 1 1 10 10 VAL H H 10 8.078 8.078 8.186 -0.108 25240 5195 1 7 . 1 1 11 11 CYS N N 11 121.775 121.775 117.411 4.364 25240 5196 1 7 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.502 -0.588 25240 5197 1 7 . 1 1 11 11 CYS C C 11 176.094 176.094 176.314 -0.220 25240 5198 1 7 . 1 1 11 11 CYS CA C 11 63.774 63.774 61.164 2.610 25240 5199 1 7 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.337 -0.305 25240 5200 1 7 . 1 1 11 11 CYS H H 11 7.922 7.922 7.777 0.145 25240 5201 1 7 . 1 1 12 12 LYS N N 12 117.392 117.392 121.172 -3.780 25240 5202 1 7 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.164 -0.250 25240 5203 1 7 . 1 1 12 12 LYS C C 12 179.097 179.097 178.251 0.846 25240 5204 1 7 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.041 -0.273 25240 5205 1 7 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.550 -0.596 25240 5206 1 7 . 1 1 12 12 LYS H H 12 7.010 7.010 7.803 -0.793 25240 5207 1 7 . 1 1 13 13 THR N N 13 114.683 114.683 112.876 1.807 25240 5208 1 7 . 1 1 13 13 THR HA H 13 3.951 3.951 4.219 -0.268 25240 5209 1 7 . 1 1 13 13 THR C C 13 177.424 177.424 176.812 0.612 25240 5210 1 7 . 1 1 13 13 THR CA C 13 66.063 66.063 65.729 0.334 25240 5211 1 7 . 1 1 13 13 THR CB C 13 67.666 67.666 68.143 -0.477 25240 5212 1 7 . 1 1 13 13 THR H H 13 8.309 8.309 8.024 0.285 25240 5213 1 7 . 1 1 14 14 THR N N 14 118.012 118.012 119.158 -1.146 25240 5214 1 7 . 1 1 14 14 THR HA H 14 4.015 4.015 4.217 -0.202 25240 5215 1 7 . 1 1 14 14 THR C C 14 176.316 176.316 175.911 0.405 25240 5216 1 7 . 1 1 14 14 THR CA C 14 67.208 67.208 66.193 1.015 25240 5217 1 7 . 1 1 14 14 THR CB C 14 62.515 62.515 68.768 -6.253 25240 5218 1 7 . 1 1 14 14 THR H H 14 8.138 8.138 7.566 0.572 25240 5219 1 7 . 1 1 15 15 TYR N N 15 120.840 120.840 123.029 -2.189 25240 5220 1 7 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.098 0.039 25240 5221 1 7 . 1 1 15 15 TYR C C 15 177.081 177.081 177.313 -0.232 25240 5222 1 7 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.781 -1.097 25240 5223 1 7 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.379 -0.015 25240 5224 1 7 . 1 1 15 15 TYR H H 15 7.740 7.740 7.996 -0.256 25240 5225 1 7 . 1 1 16 16 GLU N N 16 120.605 120.605 118.311 2.294 25240 5226 1 7 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.763 -0.228 25240 5227 1 7 . 1 1 16 16 GLU C C 16 178.673 178.673 179.018 -0.345 25240 5228 1 7 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.734 0.263 25240 5229 1 7 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.257 -0.508 25240 5230 1 7 . 1 1 16 16 GLU H H 16 8.182 8.182 8.665 -0.483 25240 5231 1 7 . 1 1 17 17 GLU N N 17 117.384 117.384 119.688 -2.304 25240 5232 1 7 . 1 1 17 17 GLU HA H 17 4.121 4.121 3.956 0.165 25240 5233 1 7 . 1 1 17 17 GLU C C 17 179.399 179.399 178.973 0.426 25240 5234 1 7 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.990 -0.138 25240 5235 1 7 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.508 -0.072 25240 5236 1 7 . 1 1 17 17 GLU H H 17 7.839 7.839 7.424 0.415 25240 5237 1 7 . 1 1 18 18 ILE N N 18 118.004 118.004 119.578 -1.574 25240 5238 1 7 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.903 -0.370 25240 5239 1 7 . 1 1 18 18 ILE C C 18 177.081 177.081 177.295 -0.214 25240 5240 1 7 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.871 2.421 25240 5241 1 7 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.164 0.314 25240 5242 1 7 . 1 1 18 18 ILE H H 18 7.558 7.558 7.965 -0.407 25240 5243 1 7 . 1 1 19 19 LYS N N 19 121.213 121.213 119.732 1.481 25240 5244 1 7 . 1 1 19 19 LYS HA H 19 3.649 3.649 3.915 -0.266 25240 5245 1 7 . 1 1 19 19 LYS C C 19 176.719 176.719 177.693 -0.974 25240 5246 1 7 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.833 0.248 25240 5247 1 7 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.520 0.693 25240 5248 1 7 . 1 1 19 19 LYS H H 19 8.387 8.387 7.891 0.496 25240 5249 1 7 . 1 1 20 20 LYS N N 20 115.307 115.307 117.119 -1.812 25240 5250 1 7 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.218 -0.097 25240 5251 1 7 . 1 1 20 20 LYS C C 20 178.008 178.008 178.030 -0.022 25240 5252 1 7 . 1 1 20 20 LYS CA C 20 57.937 57.937 58.194 -0.257 25240 5253 1 7 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.563 -0.808 25240 5254 1 7 . 1 1 20 20 LYS H H 20 8.608 8.608 7.383 1.225 25240 5255 1 7 . 1 1 21 21 ASP N N 21 113.556 113.556 117.331 -3.775 25240 5256 1 7 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.704 -0.083 25240 5257 1 7 . 1 1 21 21 ASP C C 21 175.147 175.147 175.330 -0.183 25240 5258 1 7 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.543 1.189 25240 5259 1 7 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.669 1.044 25240 5260 1 7 . 1 1 21 21 ASP H H 21 6.395 6.395 8.048 -1.653 25240 5261 1 7 . 1 1 22 22 LYS N N 22 116.543 116.543 114.662 1.881 25240 5262 1 7 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.885 -0.104 25240 5263 1 7 . 1 1 22 22 LYS C C 22 176.900 176.900 176.137 0.763 25240 5264 1 7 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.748 -0.384 25240 5265 1 7 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.160 -1.296 25240 5266 1 7 . 1 1 22 22 LYS H H 22 7.402 7.402 8.043 -0.641 25240 5267 1 7 . 1 1 23 23 LYS N N 23 114.417 114.417 117.433 -3.016 25240 5268 1 7 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.243 -0.689 25240 5269 1 7 . 1 1 23 23 LYS C C 23 175.106 175.106 176.498 -1.392 25240 5270 1 7 . 1 1 23 23 LYS CA C 23 58.623 58.623 56.552 2.071 25240 5271 1 7 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.749 1.266 25240 5272 1 7 . 1 1 23 23 LYS H H 23 7.512 7.512 8.180 -0.668 25240 5273 1 7 . 1 1 24 24 HIS N N 24 108.361 108.361 116.928 -8.567 25240 5274 1 7 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.575 -0.787 25240 5275 1 7 . 1 1 24 24 HIS C C 24 175.308 175.308 175.331 -0.023 25240 5276 1 7 . 1 1 24 24 HIS CA C 24 51.298 51.298 56.653 -5.355 25240 5277 1 7 . 1 1 24 24 HIS CB C 24 32.412 32.412 30.055 2.357 25240 5278 1 7 . 1 1 24 24 HIS H H 24 6.099 6.099 8.063 -1.964 25240 5279 1 7 . 1 1 25 25 ARG N N 25 120.707 120.707 125.643 -4.936 25240 5280 1 7 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.123 -0.015 25240 5281 1 7 . 1 1 25 25 ARG C C 25 173.091 173.091 175.299 -2.208 25240 5282 1 7 . 1 1 25 25 ARG CA C 25 55.189 55.189 57.585 -2.396 25240 5283 1 7 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.601 -1.020 25240 5284 1 7 . 1 1 25 25 ARG H H 25 8.066 8.066 7.980 0.086 25240 5285 1 7 . 1 1 26 26 TYR N N 26 106.634 106.634 109.810 -3.176 25240 5286 1 7 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.398 -0.332 25240 5287 1 7 . 1 1 26 26 TYR C C 26 172.224 172.224 173.031 -0.807 25240 5288 1 7 . 1 1 26 26 TYR CA C 26 54.732 54.732 54.313 0.418 25240 5289 1 7 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.423 0.688 25240 5290 1 7 . 1 1 26 26 TYR H H 26 6.515 6.515 7.413 -0.898 25240 5291 1 7 . 1 1 27 27 VAL N N 27 116.941 116.941 120.578 -3.637 25240 5292 1 7 . 1 1 27 27 VAL HA H 27 4.763 4.763 3.990 0.773 25240 5293 1 7 . 1 1 27 27 VAL C C 27 173.514 173.514 173.083 0.431 25240 5294 1 7 . 1 1 27 27 VAL CA C 27 59.310 59.310 59.400 -0.090 25240 5295 1 7 . 1 1 27 27 VAL CB C 27 36.189 36.189 34.635 1.554 25240 5296 1 7 . 1 1 27 27 VAL H H 27 8.843 8.843 7.822 1.021 25240 5297 1 7 . 1 1 28 28 ILE N N 28 125.708 125.708 128.404 -2.696 25240 5298 1 7 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.352 0.689 25240 5299 1 7 . 1 1 28 28 ILE C C 28 175.590 175.590 174.638 0.952 25240 5300 1 7 . 1 1 28 28 ILE CA C 28 58.394 58.394 58.452 -0.058 25240 5301 1 7 . 1 1 28 28 ILE CB C 28 38.135 38.135 36.925 1.210 25240 5302 1 7 . 1 1 28 28 ILE H H 28 8.915 8.915 8.567 0.348 25240 5303 1 7 . 1 1 29 29 PHE N N 29 125.649 125.649 127.365 -1.716 25240 5304 1 7 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.217 0.643 25240 5305 1 7 . 1 1 29 29 PHE C C 29 173.958 173.958 174.768 -0.810 25240 5306 1 7 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.182 -0.191 25240 5307 1 7 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.295 2.304 25240 5308 1 7 . 1 1 29 29 PHE H H 29 9.597 9.597 9.099 0.498 25240 5309 1 7 . 1 1 30 30 TYR N N 30 120.134 120.134 122.684 -2.550 25240 5310 1 7 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.858 0.525 25240 5311 1 7 . 1 1 30 30 TYR C C 30 176.840 176.840 173.936 2.904 25240 5312 1 7 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.052 -1.549 25240 5313 1 7 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.363 -1.336 25240 5314 1 7 . 1 1 30 30 TYR H H 30 9.556 9.556 9.127 0.429 25240 5315 1 7 . 1 1 31 31 ILE N N 31 118.577 118.577 122.852 -4.275 25240 5316 1 7 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.549 -0.468 25240 5317 1 7 . 1 1 31 31 ILE C C 31 174.562 174.562 174.738 -0.176 25240 5318 1 7 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.185 1.956 25240 5319 1 7 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.338 -1.233 25240 5320 1 7 . 1 1 31 31 ILE H H 31 8.475 8.475 7.766 0.709 25240 5321 1 7 . 1 1 32 32 ARG N N 32 132.544 132.544 130.826 1.718 25240 5322 1 7 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.371 -0.114 25240 5323 1 7 . 1 1 32 32 ARG C C 32 176.557 176.557 175.639 0.918 25240 5324 1 7 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.569 -2.265 25240 5325 1 7 . 1 1 32 32 ARG CB C 32 31.496 31.496 30.813 0.683 25240 5326 1 7 . 1 1 32 32 ARG H H 32 8.994 8.994 9.234 -0.240 25240 5327 1 7 . 1 1 33 33 ASP N N 33 128.042 128.042 124.406 3.636 25240 5328 1 7 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.251 0.006 25240 5329 1 7 . 1 1 33 33 ASP C C 33 173.615 173.615 175.498 -1.883 25240 5330 1 7 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.359 -0.483 25240 5331 1 7 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.169 -0.203 25240 5332 1 7 . 1 1 33 33 ASP H H 33 9.442 9.442 9.244 0.198 25240 5333 1 7 . 1 1 34 34 GLU N N 34 108.952 108.952 112.824 -3.872 25240 5334 1 7 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.758 0.775 25240 5335 1 7 . 1 1 34 34 GLU C C 34 174.844 174.844 175.109 -0.265 25240 5336 1 7 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.844 0.550 25240 5337 1 7 . 1 1 34 34 GLU CB C 34 27.605 27.605 27.897 -0.292 25240 5338 1 7 . 1 1 34 34 GLU H H 34 8.532 8.532 7.996 0.536 25240 5339 1 7 . 1 1 35 35 LYS N N 35 114.285 114.285 111.652 2.633 25240 5340 1 7 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.607 -0.074 25240 5341 1 7 . 1 1 35 35 LYS C C 35 175.530 175.530 174.350 1.180 25240 5342 1 7 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.564 0.800 25240 5343 1 7 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.388 1.145 25240 5344 1 7 . 1 1 35 35 LYS H H 35 7.911 7.911 8.125 -0.214 25240 5345 1 7 . 1 1 36 36 GLN N N 36 118.851 118.851 117.536 1.315 25240 5346 1 7 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.721 0.306 25240 5347 1 7 . 1 1 36 36 GLN C C 36 174.139 174.139 174.251 -0.112 25240 5348 1 7 . 1 1 36 36 GLN CA C 36 54.503 54.503 54.037 0.466 25240 5349 1 7 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.642 0.571 25240 5350 1 7 . 1 1 36 36 GLN H H 36 7.483 7.483 8.117 -0.634 25240 5351 1 7 . 1 1 37 37 ILE N N 37 127.682 127.682 120.282 7.400 25240 5352 1 7 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.470 -0.175 25240 5353 1 7 . 1 1 37 37 ILE C C 37 173.333 173.333 175.320 -1.987 25240 5354 1 7 . 1 1 37 37 ILE CA C 37 62.286 62.286 62.212 0.074 25240 5355 1 7 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.322 -0.301 25240 5356 1 7 . 1 1 37 37 ILE H H 37 9.208 9.208 9.015 0.193 25240 5357 1 7 . 1 1 38 38 ASP N N 38 128.702 128.702 126.181 2.521 25240 5358 1 7 . 1 1 38 38 ASP HA H 38 5.037 5.037 5.069 -0.032 25240 5359 1 7 . 1 1 38 38 ASP C C 38 175.147 175.147 174.180 0.967 25240 5360 1 7 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.358 -0.488 25240 5361 1 7 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.381 0.537 25240 5362 1 7 . 1 1 38 38 ASP H H 38 9.380 9.380 9.045 0.335 25240 5363 1 7 . 1 1 39 39 VAL N N 39 122.387 122.387 121.951 0.436 25240 5364 1 7 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.700 -0.833 25240 5365 1 7 . 1 1 39 39 VAL C C 39 175.268 175.268 175.525 -0.257 25240 5366 1 7 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.322 2.566 25240 5367 1 7 . 1 1 39 39 VAL CB C 39 33.671 33.671 34.182 -0.511 25240 5368 1 7 . 1 1 39 39 VAL H H 39 8.769 8.769 8.644 0.125 25240 5369 1 7 . 1 1 40 40 GLU N N 40 128.576 128.576 126.148 2.428 25240 5370 1 7 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.497 -0.230 25240 5371 1 7 . 1 1 40 40 GLU C C 40 175.711 175.711 176.367 -0.656 25240 5372 1 7 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.714 0.994 25240 5373 1 7 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.410 1.345 25240 5374 1 7 . 1 1 40 40 GLU H H 40 9.512 9.512 8.716 0.796 25240 5375 1 7 . 1 1 41 41 THR N N 41 111.962 111.962 117.733 -5.771 25240 5376 1 7 . 1 1 41 41 THR HA H 41 4.423 4.423 4.543 -0.120 25240 5377 1 7 . 1 1 41 41 THR C C 41 171.559 171.559 172.089 -0.530 25240 5378 1 7 . 1 1 41 41 THR CA C 41 61.256 61.256 62.339 -1.083 25240 5379 1 7 . 1 1 41 41 THR CB C 41 71.901 71.901 70.201 1.700 25240 5380 1 7 . 1 1 41 41 THR H H 41 7.277 7.277 7.569 -0.292 25240 5381 1 7 . 1 1 42 42 VAL N N 42 123.660 123.660 121.132 2.528 25240 5382 1 7 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.341 -0.098 25240 5383 1 7 . 1 1 42 42 VAL C C 42 173.877 173.877 173.833 0.044 25240 5384 1 7 . 1 1 42 42 VAL CA C 42 60.684 60.684 58.929 1.755 25240 5385 1 7 . 1 1 42 42 VAL CB C 42 34.015 34.015 34.960 -0.945 25240 5386 1 7 . 1 1 42 42 VAL H H 42 8.264 8.264 8.316 -0.052 25240 5387 1 7 . 1 1 43 43 ALA N N 43 126.970 126.970 124.348 2.622 25240 5388 1 7 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.496 -0.060 25240 5389 1 7 . 1 1 43 43 ALA C C 43 176.759 176.759 174.375 2.384 25240 5390 1 7 . 1 1 43 43 ALA CA C 43 50.153 50.153 51.352 -1.199 25240 5391 1 7 . 1 1 43 43 ALA CB C 43 20.737 20.737 21.801 -1.064 25240 5392 1 7 . 1 1 43 43 ALA H H 43 7.420 7.420 7.675 -0.255 25240 5393 1 7 . 1 1 44 44 ASP N N 44 120.831 120.831 117.855 2.976 25240 5394 1 7 . 1 1 44 44 ASP HA H 44 4.575 4.575 4.959 -0.384 25240 5395 1 7 . 1 1 44 44 ASP C C 44 175.771 175.771 177.396 -1.625 25240 5396 1 7 . 1 1 44 44 ASP CA C 44 54.159 54.159 53.085 1.074 25240 5397 1 7 . 1 1 44 44 ASP CB C 44 41.798 41.798 42.941 -1.143 25240 5398 1 7 . 1 1 44 44 ASP H H 44 8.285 8.285 8.239 0.046 25240 5399 1 7 . 1 1 45 45 ARG N N 45 118.015 118.015 117.377 0.638 25240 5400 1 7 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.206 -0.646 25240 5401 1 7 . 1 1 45 45 ARG C C 45 175.764 175.764 177.063 -1.299 25240 5402 1 7 . 1 1 45 45 ARG CA C 45 56.792 56.792 57.080 -0.288 25240 5403 1 7 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.483 0.525 25240 5404 1 7 . 1 1 45 45 ARG H H 45 8.020 8.020 8.223 -0.203 25240 5405 1 7 . 1 1 46 46 ASN N N 46 113.620 113.620 118.445 -4.825 25240 5406 1 7 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.580 0.074 25240 5407 1 7 . 1 1 46 46 ASN C C 46 175.090 175.090 175.294 -0.204 25240 5408 1 7 . 1 1 46 46 ASN CA C 46 52.900 52.900 54.875 -1.975 25240 5409 1 7 . 1 1 46 46 ASN CB C 46 37.792 37.792 39.305 -1.513 25240 5410 1 7 . 1 1 46 46 ASN H H 46 8.184 8.184 8.409 -0.225 25240 5411 1 7 . 1 1 47 47 ALA N N 47 124.076 124.076 120.976 3.100 25240 5412 1 7 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.528 -0.321 25240 5413 1 7 . 1 1 47 47 ALA C C 47 176.472 176.472 175.168 1.304 25240 5414 1 7 . 1 1 47 47 ALA CA C 47 53.015 53.015 50.799 2.216 25240 5415 1 7 . 1 1 47 47 ALA CB C 47 20.966 20.966 21.420 -0.454 25240 5416 1 7 . 1 1 47 47 ALA H H 47 7.515 7.515 7.468 0.047 25240 5417 1 7 . 1 1 48 48 GLU N N 48 117.871 117.871 118.202 -0.331 25240 5418 1 7 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.074 0.704 25240 5419 1 7 . 1 1 48 48 GLU C C 48 178.259 178.259 176.125 2.134 25240 5420 1 7 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.057 0.675 25240 5421 1 7 . 1 1 48 48 GLU CB C 48 32.755 32.755 31.192 1.563 25240 5422 1 7 . 1 1 48 48 GLU H H 48 8.327 8.327 8.311 0.016 25240 5423 1 7 . 1 1 49 49 TYR N N 49 122.704 122.704 118.235 4.469 25240 5424 1 7 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.102 -0.267 25240 5425 1 7 . 1 1 49 49 TYR C C 49 176.809 176.809 177.475 -0.666 25240 5426 1 7 . 1 1 49 49 TYR CA C 49 62.744 62.744 60.684 2.060 25240 5427 1 7 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.465 0.785 25240 5428 1 7 . 1 1 49 49 TYR H H 49 9.164 9.164 7.984 1.181 25240 5429 1 7 . 1 1 50 50 ASP N N 50 114.152 114.152 117.629 -3.477 25240 5430 1 7 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.214 -0.077 25240 5431 1 7 . 1 1 50 50 ASP C C 50 178.832 178.832 178.183 0.649 25240 5432 1 7 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.242 -0.878 25240 5433 1 7 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.102 -0.365 25240 5434 1 7 . 1 1 50 50 ASP H H 50 8.516 8.516 8.659 -0.143 25240 5435 1 7 . 1 1 51 51 GLN N N 51 120.262 120.262 118.407 1.855 25240 5436 1 7 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.042 -0.130 25240 5437 1 7 . 1 1 51 51 GLN C C 51 177.180 177.180 178.423 -1.243 25240 5438 1 7 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.048 0.804 25240 5439 1 7 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.606 0.258 25240 5440 1 7 . 1 1 51 51 GLN H H 51 7.290 7.290 7.284 0.006 25240 5441 1 7 . 1 1 52 52 PHE N N 52 121.864 121.864 120.190 1.674 25240 5442 1 7 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.257 -1.010 25240 5443 1 7 . 1 1 52 52 PHE C C 52 175.697 175.697 177.962 -2.265 25240 5444 1 7 . 1 1 52 52 PHE CA C 52 60.569 60.569 58.758 1.811 25240 5445 1 7 . 1 1 52 52 PHE CB C 52 38.593 38.593 37.937 0.656 25240 5446 1 7 . 1 1 52 52 PHE H H 52 6.926 6.926 7.139 -0.213 25240 5447 1 7 . 1 1 53 53 LEU N N 53 116.512 116.512 119.706 -3.194 25240 5448 1 7 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.911 -0.718 25240 5449 1 7 . 1 1 53 53 LEU C C 53 179.877 179.877 178.865 1.012 25240 5450 1 7 . 1 1 53 53 LEU CA C 53 56.449 56.449 57.980 -1.531 25240 5451 1 7 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.218 0.122 25240 5452 1 7 . 1 1 53 53 LEU H H 53 7.382 7.382 7.858 -0.476 25240 5453 1 7 . 1 1 54 54 GLU N N 54 119.308 119.308 117.970 1.338 25240 5454 1 7 . 1 1 54 54 GLU HA H 54 3.658 3.658 4.047 -0.389 25240 5455 1 7 . 1 1 54 54 GLU C C 54 179.371 179.371 178.002 1.369 25240 5456 1 7 . 1 1 54 54 GLU CA C 54 59.244 59.244 58.783 0.461 25240 5457 1 7 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.395 -0.417 25240 5458 1 7 . 1 1 54 54 GLU H H 54 7.275 7.275 7.745 -0.470 25240 5459 1 7 . 1 1 55 55 ASP N N 55 119.986 119.986 118.930 1.056 25240 5460 1 7 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.551 -0.238 25240 5461 1 7 . 1 1 55 55 ASP C C 55 179.573 179.573 178.859 0.714 25240 5462 1 7 . 1 1 55 55 ASP CA C 55 57.364 57.364 56.677 0.687 25240 5463 1 7 . 1 1 55 55 ASP CB C 55 40.195 40.195 41.739 -1.544 25240 5464 1 7 . 1 1 55 55 ASP H H 55 8.354 8.354 7.634 0.720 25240 5465 1 7 . 1 1 56 56 ILE N N 56 121.615 121.615 117.034 4.581 25240 5466 1 7 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.840 -0.367 25240 5467 1 7 . 1 1 56 56 ILE C C 56 173.674 173.674 178.024 -4.350 25240 5468 1 7 . 1 1 56 56 ILE CA C 56 64.461 64.461 64.114 0.347 25240 5469 1 7 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.224 -0.462 25240 5470 1 7 . 1 1 56 56 ILE H H 56 8.093 8.093 7.788 0.305 25240 5471 1 7 . 1 1 57 57 GLN N N 57 113.032 113.032 117.599 -4.567 25240 5472 1 7 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.071 0.076 25240 5473 1 7 . 1 1 57 57 GLN C C 57 178.899 178.899 176.633 2.266 25240 5474 1 7 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.789 -1.798 25240 5475 1 7 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.394 3.560 25240 5476 1 7 . 1 1 57 57 GLN H H 57 6.377 6.377 7.714 -1.337 25240 5477 1 7 . 1 1 58 58 LYS N N 58 122.152 122.152 118.230 3.922 25240 5478 1 7 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.191 -0.349 25240 5479 1 7 . 1 1 58 58 LYS C C 58 176.674 176.674 177.448 -0.774 25240 5480 1 7 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.501 1.923 25240 5481 1 7 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.160 -0.091 25240 5482 1 7 . 1 1 58 58 LYS H H 58 7.280 7.280 7.717 -0.437 25240 5483 1 7 . 1 1 59 59 CYS N N 59 116.543 116.543 118.058 -1.515 25240 5484 1 7 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.396 -0.250 25240 5485 1 7 . 1 1 59 59 CYS C C 59 175.056 175.056 174.973 0.083 25240 5486 1 7 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.616 -0.993 25240 5487 1 7 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.240 -2.322 25240 5488 1 7 . 1 1 59 59 CYS H H 59 7.784 7.784 7.495 0.289 25240 5489 1 7 . 1 1 60 60 GLY N N 60 109.550 109.550 107.713 1.837 25240 5490 1 7 . 1 1 60 60 GLY CA C 60 42.318 42.318 45.424 -3.106 25240 5491 1 7 . 1 1 60 60 GLY H H 60 7.542 7.542 7.576 -0.034 25240 5492 1 7 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.955 -0.727 25240 5493 1 7 . 1 1 61 61 PRO C C 61 177.079 177.079 176.210 0.869 25240 5494 1 7 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.217 0.900 25240 5495 1 7 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.638 -1.142 25240 5496 1 7 . 1 1 62 62 GLY N N 62 106.490 106.490 106.845 -0.355 25240 5497 1 7 . 1 1 62 62 GLY C C 62 174.011 174.011 173.499 0.512 25240 5498 1 7 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.569 0.548 25240 5499 1 7 . 1 1 62 62 GLY H H 62 8.479 8.479 7.960 0.519 25240 5500 1 7 . 1 1 63 63 GLU N N 63 119.465 119.465 118.736 0.729 25240 5501 1 7 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.670 -0.372 25240 5502 1 7 . 1 1 63 63 GLU C C 63 173.775 173.775 174.225 -0.450 25240 5503 1 7 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.048 0.913 25240 5504 1 7 . 1 1 63 63 GLU CB C 63 33.557 33.557 33.034 0.523 25240 5505 1 7 . 1 1 63 63 GLU H H 63 7.001 7.001 7.556 -0.555 25240 5506 1 7 . 1 1 64 64 CYS N N 64 111.402 111.402 117.356 -5.954 25240 5507 1 7 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.246 -0.737 25240 5508 1 7 . 1 1 64 64 CYS C C 64 173.371 173.371 174.216 -0.845 25240 5509 1 7 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.986 -1.339 25240 5510 1 7 . 1 1 64 64 CYS CB C 64 31.267 31.267 30.297 0.970 25240 5511 1 7 . 1 1 64 64 CYS H H 64 6.622 6.622 8.585 -1.963 25240 5512 1 7 . 1 1 65 65 ARG N N 65 117.835 117.835 123.501 -5.666 25240 5513 1 7 . 1 1 65 65 ARG HA H 65 4.674 4.674 5.425 -0.751 25240 5514 1 7 . 1 1 65 65 ARG C C 65 174.820 174.820 174.895 -0.075 25240 5515 1 7 . 1 1 65 65 ARG CA C 65 53.587 53.587 55.362 -1.775 25240 5516 1 7 . 1 1 65 65 ARG CB C 65 39.737 39.737 34.784 4.953 25240 5517 1 7 . 1 1 65 65 ARG H H 65 8.621 8.621 9.471 -0.850 25240 5518 1 7 . 1 1 66 66 TYR N N 66 114.314 114.314 120.367 -6.053 25240 5519 1 7 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.713 0.362 25240 5520 1 7 . 1 1 66 66 TYR C C 66 176.068 176.068 174.795 1.273 25240 5521 1 7 . 1 1 66 66 TYR CA C 66 54.846 54.846 54.973 -0.127 25240 5522 1 7 . 1 1 66 66 TYR CB C 66 41.798 41.798 40.985 0.813 25240 5523 1 7 . 1 1 66 66 TYR H H 66 8.256 8.256 8.322 -0.066 25240 5524 1 7 . 1 1 67 67 GLY N N 67 107.717 107.717 107.609 0.108 25240 5525 1 7 . 1 1 67 67 GLY C C 67 170.135 170.135 171.794 -1.659 25240 5526 1 7 . 1 1 67 67 GLY CA C 67 45.575 45.575 44.209 1.366 25240 5527 1 7 . 1 1 67 67 GLY H H 67 9.831 9.831 8.968 0.863 25240 5528 1 7 . 1 1 68 68 LEU N N 68 127.494 127.494 123.761 3.733 25240 5529 1 7 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.293 0.201 25240 5530 1 7 . 1 1 68 68 LEU C C 68 173.674 173.674 174.466 -0.792 25240 5531 1 7 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.991 -0.667 25240 5532 1 7 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.373 2.804 25240 5533 1 7 . 1 1 68 68 LEU H H 68 9.391 9.391 8.318 1.073 25240 5534 1 7 . 1 1 69 69 PHE N N 69 126.775 126.775 127.590 -0.815 25240 5535 1 7 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.542 -1.039 25240 5536 1 7 . 1 1 69 69 PHE C C 69 172.629 172.629 173.505 -0.876 25240 5537 1 7 . 1 1 69 69 PHE CA C 69 56.334 56.334 56.255 0.079 25240 5538 1 7 . 1 1 69 69 PHE CB C 69 43.744 43.744 42.718 1.026 25240 5539 1 7 . 1 1 69 69 PHE H H 69 8.017 8.017 9.552 -1.535 25240 5540 1 7 . 1 1 70 70 ASP N N 70 126.639 126.639 129.255 -2.616 25240 5541 1 7 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.221 -0.430 25240 5542 1 7 . 1 1 70 70 ASP C C 70 172.764 172.764 174.530 -1.766 25240 5543 1 7 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.711 0.418 25240 5544 1 7 . 1 1 70 70 ASP CB C 70 40.653 40.653 43.367 -2.714 25240 5545 1 7 . 1 1 70 70 ASP H H 70 7.087 7.087 8.303 -1.216 25240 5546 1 7 . 1 1 71 71 PHE N N 71 129.107 129.107 120.915 8.192 25240 5547 1 7 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.151 -0.455 25240 5548 1 7 . 1 1 71 71 PHE C C 71 174.315 174.315 173.640 0.675 25240 5549 1 7 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.931 2.921 25240 5550 1 7 . 1 1 71 71 PHE CB C 71 42.713 42.713 41.480 1.233 25240 5551 1 7 . 1 1 71 71 PHE H H 71 8.656 8.656 7.577 1.079 25240 5552 1 7 . 1 1 72 72 GLU N N 72 126.483 126.483 121.602 4.881 25240 5553 1 7 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.699 0.452 25240 5554 1 7 . 1 1 72 72 GLU C C 72 175.090 175.090 174.808 0.282 25240 5555 1 7 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.316 -0.584 25240 5556 1 7 . 1 1 72 72 GLU CB C 72 31.840 31.840 28.721 3.119 25240 5557 1 7 . 1 1 72 72 GLU H H 72 8.134 8.134 8.898 -0.764 25240 5558 1 7 . 1 1 73 73 TYR N N 73 120.527 120.527 127.223 -6.696 25240 5559 1 7 . 1 1 73 73 TYR HA H 73 4.675 4.675 5.024 -0.349 25240 5560 1 7 . 1 1 73 73 TYR C C 73 172.966 172.966 174.380 -1.414 25240 5561 1 7 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.091 -1.100 25240 5562 1 7 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.916 -2.407 25240 5563 1 7 . 1 1 73 73 TYR H H 73 8.504 8.504 9.061 -0.557 25240 5564 1 7 . 1 1 74 74 MET N N 74 118.604 118.604 123.536 -4.932 25240 5565 1 7 . 1 1 74 74 MET HA H 74 4.729 4.729 5.225 -0.496 25240 5566 1 7 . 1 1 74 74 MET C C 74 176.000 176.000 174.523 1.477 25240 5567 1 7 . 1 1 74 74 MET CA C 74 53.930 53.930 54.452 -0.522 25240 5568 1 7 . 1 1 74 74 MET CB C 74 32.412 32.412 34.933 -2.521 25240 5569 1 7 . 1 1 74 74 MET H H 74 8.752 8.752 8.488 0.264 25240 5570 1 7 . 1 1 75 75 HIS N N 75 123.810 123.810 120.353 3.457 25240 5571 1 7 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.791 -0.116 25240 5572 1 7 . 1 1 75 75 HIS C C 75 174.112 174.112 174.311 -0.199 25240 5573 1 7 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.784 -0.022 25240 5574 1 7 . 1 1 75 75 HIS CB C 75 32.755 32.755 34.579 -1.824 25240 5575 1 7 . 1 1 75 75 HIS H H 75 8.902 8.902 8.243 0.659 25240 5576 1 7 . 1 1 76 76 GLN N N 76 125.324 125.324 123.723 1.601 25240 5577 1 7 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.545 -0.249 25240 5578 1 7 . 1 1 76 76 GLN C C 76 175.056 175.056 175.510 -0.454 25240 5579 1 7 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.880 -0.691 25240 5580 1 7 . 1 1 76 76 GLN CB C 76 29.551 29.551 28.454 1.097 25240 5581 1 7 . 1 1 76 76 GLN H H 76 8.292 8.292 8.572 -0.280 25240 5582 1 7 . 1 1 77 77 CYS N N 77 123.013 123.013 122.334 0.679 25240 5583 1 7 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.675 -0.379 25240 5584 1 7 . 1 1 77 77 CYS C C 77 174.719 174.719 175.313 -0.594 25240 5585 1 7 . 1 1 77 77 CYS CA C 77 58.738 58.738 57.937 0.801 25240 5586 1 7 . 1 1 77 77 CYS CB C 77 27.948 27.948 30.711 -2.763 25240 5587 1 7 . 1 1 77 77 CYS H H 77 8.420 8.420 8.653 -0.233 25240 5588 1 7 . 1 1 78 78 GLN N N 78 123.960 123.960 123.441 0.519 25240 5589 1 7 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.944 0.156 25240 5590 1 7 . 1 1 78 78 GLN C C 78 176.910 176.910 175.740 1.170 25240 5591 1 7 . 1 1 78 78 GLN CA C 78 57.021 57.021 56.529 0.492 25240 5592 1 7 . 1 1 78 78 GLN CB C 78 28.635 28.635 28.203 0.431 25240 5593 1 7 . 1 1 78 78 GLN H H 78 8.658 8.658 9.078 -0.420 25240 5594 1 7 . 1 1 79 79 GLY N N 79 111.173 111.173 105.163 6.010 25240 5595 1 7 . 1 1 79 79 GLY C C 79 174.315 174.315 174.400 -0.085 25240 5596 1 7 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.358 0.101 25240 5597 1 7 . 1 1 79 79 GLY H H 79 8.636 8.636 8.526 0.110 25240 5598 1 7 . 1 1 80 80 THR N N 80 111.761 111.761 117.467 -5.706 25240 5599 1 7 . 1 1 80 80 THR HA H 80 4.483 4.483 4.354 0.129 25240 5600 1 7 . 1 1 80 80 THR C C 80 174.483 174.483 174.711 -0.228 25240 5601 1 7 . 1 1 80 80 THR CA C 80 60.912 60.912 61.679 -0.767 25240 5602 1 7 . 1 1 80 80 THR CB C 80 70.413 70.413 69.697 0.716 25240 5603 1 7 . 1 1 80 80 THR H H 80 7.730 7.730 7.359 0.371 25240 5604 1 7 . 1 1 81 81 SER N N 81 116.277 116.277 121.918 -5.641 25240 5605 1 7 . 1 1 81 81 SER HA H 81 3.810 3.810 4.354 -0.544 25240 5606 1 7 . 1 1 81 81 SER C C 81 174.517 174.517 174.788 -0.271 25240 5607 1 7 . 1 1 81 81 SER CA C 81 58.738 58.738 59.103 -0.365 25240 5608 1 7 . 1 1 81 81 SER CB C 81 63.545 63.545 62.186 1.359 25240 5609 1 7 . 1 1 81 81 SER H H 81 8.312 8.312 8.772 -0.460 25240 5610 1 7 . 1 1 82 82 GLU N N 82 121.911 121.911 124.271 -2.360 25240 5611 1 7 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.255 -0.006 25240 5612 1 7 . 1 1 82 82 GLU C C 82 176.202 176.202 176.452 -0.250 25240 5613 1 7 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.676 -0.227 25240 5614 1 7 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.901 0.794 25240 5615 1 7 . 1 1 82 82 GLU H H 82 8.058 8.058 8.437 -0.379 25240 5616 1 7 . 1 1 83 83 SER N N 83 117.340 117.340 113.519 3.821 25240 5617 1 7 . 1 1 83 83 SER HA H 83 4.292 4.292 4.045 0.247 25240 5618 1 7 . 1 1 83 83 SER C C 83 174.146 174.146 173.285 0.861 25240 5619 1 7 . 1 1 83 83 SER CA C 83 58.165 58.165 58.817 -0.652 25240 5620 1 7 . 1 1 83 83 SER CB C 83 64.461 64.461 62.161 2.300 25240 5621 1 7 . 1 1 83 83 SER H H 83 8.355 8.355 8.473 -0.118 25240 5622 1 7 . 1 1 84 84 SER N N 84 117.340 117.340 118.533 -1.193 25240 5623 1 7 . 1 1 84 84 SER HA H 84 4.734 4.734 4.310 0.424 25240 5624 1 7 . 1 1 84 84 SER C C 84 173.236 173.236 174.423 -1.187 25240 5625 1 7 . 1 1 84 84 SER CA C 84 57.708 57.708 59.070 -1.362 25240 5626 1 7 . 1 1 84 84 SER CB C 84 64.919 64.919 63.237 1.682 25240 5627 1 7 . 1 1 84 84 SER H H 84 8.435 8.435 8.538 -0.103 25240 5628 1 7 . 1 1 85 85 LYS N N 85 123.283 123.283 128.192 -4.909 25240 5629 1 7 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.510 -0.055 25240 5630 1 7 . 1 1 85 85 LYS C C 85 176.236 176.236 175.425 0.811 25240 5631 1 7 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.401 0.276 25240 5632 1 7 . 1 1 85 85 LYS CB C 85 32.755 32.755 32.526 0.230 25240 5633 1 7 . 1 1 85 85 LYS H H 85 8.274 8.274 7.996 0.278 25240 5634 1 7 . 1 1 86 86 LYS N N 86 125.176 125.176 126.696 -1.520 25240 5635 1 7 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.663 -0.358 25240 5636 1 7 . 1 1 86 86 LYS C C 86 174.753 174.753 175.132 -0.379 25240 5637 1 7 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.785 -0.397 25240 5638 1 7 . 1 1 86 86 LYS CB C 86 34.358 34.358 35.866 -1.508 25240 5639 1 7 . 1 1 86 86 LYS H H 86 8.590 8.590 7.998 0.592 25240 5640 1 7 . 1 1 87 87 GLN N N 87 118.903 118.903 121.101 -2.198 25240 5641 1 7 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.864 0.305 25240 5642 1 7 . 1 1 87 87 GLN C C 87 175.562 175.562 175.963 -0.401 25240 5643 1 7 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.151 -0.534 25240 5644 1 7 . 1 1 87 87 GLN CB C 87 30.695 30.695 29.068 1.627 25240 5645 1 7 . 1 1 87 87 GLN H H 87 7.946 7.946 8.608 -0.662 25240 5646 1 7 . 1 1 88 88 LYS N N 88 124.114 124.114 124.238 -0.124 25240 5647 1 7 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.403 0.235 25240 5648 1 7 . 1 1 88 88 LYS C C 88 174.449 174.449 174.785 -0.336 25240 5649 1 7 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.786 0.632 25240 5650 1 7 . 1 1 88 88 LYS CB C 88 36.876 36.876 34.673 2.203 25240 5651 1 7 . 1 1 88 88 LYS H H 88 9.258 9.258 8.520 0.738 25240 5652 1 7 . 1 1 89 89 LEU N N 89 123.968 123.968 124.918 -0.950 25240 5653 1 7 . 1 1 89 89 LEU HA H 89 5.120 5.120 4.654 0.466 25240 5654 1 7 . 1 1 89 89 LEU C C 89 176.843 176.843 176.251 0.592 25240 5655 1 7 . 1 1 89 89 LEU CA C 89 54.617 54.617 55.076 -0.459 25240 5656 1 7 . 1 1 89 89 LEU CB C 89 43.972 43.972 41.738 2.234 25240 5657 1 7 . 1 1 89 89 LEU H H 89 8.318 8.318 8.521 -0.203 25240 5658 1 7 . 1 1 90 90 PHE N N 90 118.366 118.366 123.424 -5.058 25240 5659 1 7 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.079 0.368 25240 5660 1 7 . 1 1 90 90 PHE C C 90 171.786 171.786 174.628 -2.842 25240 5661 1 7 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.326 -1.137 25240 5662 1 7 . 1 1 90 90 PHE CB C 90 43.286 43.286 41.378 1.908 25240 5663 1 7 . 1 1 90 90 PHE H H 90 8.465 8.465 9.405 -0.940 25240 5664 1 7 . 1 1 91 91 LEU N N 91 121.719 121.719 126.473 -4.754 25240 5665 1 7 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.678 -0.173 25240 5666 1 7 . 1 1 91 91 LEU C C 91 174.449 174.449 175.246 -0.797 25240 5667 1 7 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.517 -0.617 25240 5668 1 7 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.337 1.840 25240 5669 1 7 . 1 1 91 91 LEU H H 91 8.437 8.437 9.603 -1.166 25240 5670 1 7 . 1 1 92 92 MET N N 92 126.389 126.389 124.825 1.564 25240 5671 1 7 . 1 1 92 92 MET HA H 92 6.176 6.176 6.064 0.112 25240 5672 1 7 . 1 1 92 92 MET C C 92 176.169 176.169 175.293 0.876 25240 5673 1 7 . 1 1 92 92 MET CA C 92 53.015 53.015 53.494 -0.479 25240 5674 1 7 . 1 1 92 92 MET CB C 92 39.623 39.623 36.146 3.477 25240 5675 1 7 . 1 1 92 92 MET H H 92 10.273 10.273 8.784 1.489 25240 5676 1 7 . 1 1 93 93 SER N N 93 120.841 120.841 118.381 2.460 25240 5677 1 7 . 1 1 93 93 SER HA H 93 4.885 4.885 5.044 -0.159 25240 5678 1 7 . 1 1 93 93 SER C C 93 172.225 172.225 174.045 -1.820 25240 5679 1 7 . 1 1 93 93 SER CA C 93 56.563 56.563 58.021 -1.458 25240 5680 1 7 . 1 1 93 93 SER CB C 93 63.545 63.545 64.192 -0.647 25240 5681 1 7 . 1 1 93 93 SER H H 93 9.038 9.038 8.924 0.114 25240 5682 1 7 . 1 1 94 94 TRP N N 94 129.918 129.918 132.330 -2.412 25240 5683 1 7 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.365 -0.218 25240 5684 1 7 . 1 1 94 94 TRP C C 94 173.270 173.270 174.879 -1.609 25240 5685 1 7 . 1 1 94 94 TRP CA C 94 54.961 54.961 56.866 -1.905 25240 5686 1 7 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.837 0.858 25240 5687 1 7 . 1 1 94 94 TRP H H 94 9.001 9.001 9.033 -0.032 25240 5688 1 7 . 1 1 95 95 CYS N N 95 122.538 122.538 124.535 -1.997 25240 5689 1 7 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.718 0.103 25240 5690 1 7 . 1 1 95 95 CYS CA C 95 53.813 53.813 55.096 -1.284 25240 5691 1 7 . 1 1 95 95 CYS H H 95 7.319 7.319 8.672 -1.353 25240 5692 1 7 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.138 -0.319 25240 5693 1 7 . 1 1 96 96 PRO C C 96 177.888 177.888 176.778 1.110 25240 5694 1 7 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.514 -1.685 25240 5695 1 7 . 1 1 96 96 PRO CB C 96 31.840 31.840 31.427 0.413 25240 5696 1 7 . 1 1 97 97 ASP N N 97 118.960 118.960 124.379 -5.419 25240 5697 1 7 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.249 -0.191 25240 5698 1 7 . 1 1 97 97 ASP C C 97 176.809 176.809 176.684 0.125 25240 5699 1 7 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.297 0.609 25240 5700 1 7 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.794 0.088 25240 5701 1 7 . 1 1 97 97 ASP H H 97 8.040 8.040 8.504 -0.464 25240 5702 1 7 . 1 1 98 98 THR N N 98 104.267 104.267 108.755 -4.488 25240 5703 1 7 . 1 1 98 98 THR HA H 98 3.856 3.856 4.209 -0.353 25240 5704 1 7 . 1 1 98 98 THR C C 98 174.921 174.921 174.579 0.342 25240 5705 1 7 . 1 1 98 98 THR CA C 98 61.599 61.599 62.358 -0.760 25240 5706 1 7 . 1 1 98 98 THR CB C 98 68.925 68.925 68.073 0.852 25240 5707 1 7 . 1 1 98 98 THR H H 98 6.917 6.917 7.927 -1.010 25240 5708 1 7 . 1 1 99 99 ALA N N 99 125.807 125.807 124.691 1.116 25240 5709 1 7 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.288 -0.272 25240 5710 1 7 . 1 1 99 99 ALA C C 99 177.045 177.045 176.547 0.498 25240 5711 1 7 . 1 1 99 99 ALA CA C 99 52.099 52.099 53.386 -1.287 25240 5712 1 7 . 1 1 99 99 ALA CB C 99 19.020 19.020 19.946 -0.926 25240 5713 1 7 . 1 1 99 99 ALA H H 99 7.496 7.496 7.591 -0.095 25240 5714 1 7 . 1 1 100 100 LYS N N 100 119.465 119.465 115.152 4.313 25240 5715 1 7 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.450 -0.365 25240 5716 1 7 . 1 1 100 100 LYS C C 100 178.832 178.832 175.796 3.036 25240 5717 1 7 . 1 1 100 100 LYS CA C 100 56.334 56.334 55.555 0.779 25240 5718 1 7 . 1 1 100 100 LYS CB C 100 32.527 32.527 35.174 -2.647 25240 5719 1 7 . 1 1 100 100 LYS H H 100 8.271 8.271 7.340 0.931 25240 5720 1 7 . 1 1 101 101 VAL N N 101 123.351 123.351 121.980 1.371 25240 5721 1 7 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.829 -0.432 25240 5722 1 7 . 1 1 101 101 VAL C C 101 177.584 177.584 176.399 1.185 25240 5723 1 7 . 1 1 101 101 VAL CA C 101 66.979 66.979 64.954 2.025 25240 5724 1 7 . 1 1 101 101 VAL CB C 101 31.496 31.496 32.099 -0.603 25240 5725 1 7 . 1 1 101 101 VAL H H 101 8.518 8.518 8.691 -0.173 25240 5726 1 7 . 1 1 102 102 LYS N N 102 118.249 118.249 118.530 -0.281 25240 5727 1 7 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.182 -0.251 25240 5728 1 7 . 1 1 102 102 LYS C C 102 179.540 179.540 178.971 0.569 25240 5729 1 7 . 1 1 102 102 LYS CA C 102 59.882 59.882 58.546 1.336 25240 5730 1 7 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.544 0.753 25240 5731 1 7 . 1 1 102 102 LYS H H 102 8.558 8.558 8.326 0.232 25240 5732 1 7 . 1 1 103 103 LYS N N 103 118.668 118.668 120.648 -1.980 25240 5733 1 7 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.098 0.020 25240 5734 1 7 . 1 1 103 103 LYS C C 103 177.921 177.921 178.812 -0.891 25240 5735 1 7 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.191 -0.797 25240 5736 1 7 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.260 -0.420 25240 5737 1 7 . 1 1 103 103 LYS H H 103 6.854 6.854 7.594 -0.740 25240 5738 1 7 . 1 1 104 104 LYS N N 104 119.199 119.199 118.339 0.860 25240 5739 1 7 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.231 -0.337 25240 5740 1 7 . 1 1 104 104 LYS C C 104 180.011 180.011 179.037 0.974 25240 5741 1 7 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.843 1.841 25240 5742 1 7 . 1 1 104 104 LYS CB C 104 31.725 31.725 32.109 -0.384 25240 5743 1 7 . 1 1 104 104 LYS H H 104 8.048 8.048 8.102 -0.054 25240 5744 1 7 . 1 1 105 105 MET N N 105 118.021 118.021 120.204 -2.183 25240 5745 1 7 . 1 1 105 105 MET HA H 105 4.121 4.121 4.343 -0.222 25240 5746 1 7 . 1 1 105 105 MET C C 105 178.899 178.899 177.813 1.086 25240 5747 1 7 . 1 1 105 105 MET CA C 105 58.509 58.509 57.459 1.050 25240 5748 1 7 . 1 1 105 105 MET CB C 105 32.069 32.069 32.469 -0.400 25240 5749 1 7 . 1 1 105 105 MET H H 105 8.546 8.546 7.403 1.143 25240 5750 1 7 . 1 1 106 106 LEU N N 106 122.895 122.895 116.562 6.333 25240 5751 1 7 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.142 -0.106 25240 5752 1 7 . 1 1 106 106 LEU C C 106 179.910 179.910 178.654 1.256 25240 5753 1 7 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.674 0.491 25240 5754 1 7 . 1 1 106 106 LEU CB C 106 41.912 41.912 39.999 1.913 25240 5755 1 7 . 1 1 106 106 LEU H H 106 7.674 7.674 7.733 -0.059 25240 5756 1 7 . 1 1 107 107 TYR N N 107 119.036 119.036 119.574 -0.538 25240 5757 1 7 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.162 -0.128 25240 5758 1 7 . 1 1 107 107 TYR C C 107 181.360 181.360 177.034 4.326 25240 5759 1 7 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.071 0.841 25240 5760 1 7 . 1 1 107 107 TYR CB C 107 37.677 37.677 37.832 -0.155 25240 5761 1 7 . 1 1 107 107 TYR H H 107 8.669 8.669 7.829 0.840 25240 5762 1 7 . 1 1 108 108 SER N N 108 118.372 118.372 112.583 5.789 25240 5763 1 7 . 1 1 108 108 SER HA H 108 4.324 4.324 3.525 0.799 25240 5764 1 7 . 1 1 108 108 SER C C 108 178.023 178.023 175.917 2.106 25240 5765 1 7 . 1 1 108 108 SER CA C 108 62.286 62.286 61.254 1.032 25240 5766 1 7 . 1 1 108 108 SER CB C 108 63.545 63.545 62.504 1.041 25240 5767 1 7 . 1 1 108 108 SER H H 108 8.973 8.973 7.771 1.202 25240 5768 1 7 . 1 1 109 109 SER N N 109 116.727 116.727 116.555 0.172 25240 5769 1 7 . 1 1 109 109 SER HA H 109 4.292 4.292 4.328 -0.036 25240 5770 1 7 . 1 1 109 109 SER C C 109 176.405 176.405 176.524 -0.119 25240 5771 1 7 . 1 1 109 109 SER CA C 109 61.370 61.370 61.017 0.353 25240 5772 1 7 . 1 1 109 109 SER CB C 109 63.202 63.202 63.023 0.179 25240 5773 1 7 . 1 1 109 109 SER H H 109 8.353 8.353 7.421 0.932 25240 5774 1 7 . 1 1 110 110 SER N N 110 115.229 115.229 118.806 -3.577 25240 5775 1 7 . 1 1 110 110 SER HA H 110 4.549 4.549 4.144 0.405 25240 5776 1 7 . 1 1 110 110 SER C C 110 172.899 172.899 175.980 -3.081 25240 5777 1 7 . 1 1 110 110 SER CA C 110 59.424 59.424 61.040 -1.616 25240 5778 1 7 . 1 1 110 110 SER CB C 110 62.973 62.973 62.778 0.195 25240 5779 1 7 . 1 1 110 110 SER H H 110 7.236 7.236 7.515 -0.279 25240 5780 1 7 . 1 1 111 111 PHE N N 111 120.978 120.978 121.209 -0.231 25240 5781 1 7 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.849 0.166 25240 5782 1 7 . 1 1 111 111 PHE C C 111 177.483 177.483 176.535 0.948 25240 5783 1 7 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.552 -3.844 25240 5784 1 7 . 1 1 111 111 PHE CB C 111 38.364 38.364 38.867 -0.504 25240 5785 1 7 . 1 1 111 111 PHE H H 111 7.069 7.069 8.060 -0.991 25240 5786 1 7 . 1 1 112 112 ASP N N 112 116.485 116.485 118.132 -1.647 25240 5787 1 7 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.293 -0.540 25240 5788 1 7 . 1 1 112 112 ASP C C 112 177.281 177.281 178.332 -1.051 25240 5789 1 7 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.388 1.091 25240 5790 1 7 . 1 1 112 112 ASP CB C 112 40.424 40.424 41.151 -0.727 25240 5791 1 7 . 1 1 112 112 ASP H H 112 8.305 8.305 7.795 0.510 25240 5792 1 7 . 1 1 113 113 ALA N N 113 121.059 121.059 122.941 -1.882 25240 5793 1 7 . 1 1 113 113 ALA HA H 113 3.753 3.753 4.021 -0.268 25240 5794 1 7 . 1 1 113 113 ALA C C 113 180.416 180.416 179.739 0.677 25240 5795 1 7 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.869 -0.023 25240 5796 1 7 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.397 -1.322 25240 5797 1 7 . 1 1 113 113 ALA H H 113 7.393 7.393 7.340 0.053 25240 5798 1 7 . 1 1 114 114 LEU N N 114 118.535 118.535 115.498 3.037 25240 5799 1 7 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.975 -0.343 25240 5800 1 7 . 1 1 114 114 LEU C C 114 178.191 178.191 177.863 0.328 25240 5801 1 7 . 1 1 114 114 LEU CA C 114 56.906 56.906 56.821 0.085 25240 5802 1 7 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.388 0.952 25240 5803 1 7 . 1 1 114 114 LEU H H 114 6.647 6.647 7.897 -1.250 25240 5804 1 7 . 1 1 115 115 LYS N N 115 117.340 117.340 118.628 -1.288 25240 5805 1 7 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.718 -0.489 25240 5806 1 7 . 1 1 115 115 LYS C C 115 179.877 179.877 177.958 1.919 25240 5807 1 7 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.134 0.290 25240 5808 1 7 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.677 0.278 25240 5809 1 7 . 1 1 115 115 LYS H H 115 7.730 7.730 7.398 0.332 25240 5810 1 7 . 1 1 116 116 LYS N N 116 116.144 116.144 117.572 -1.428 25240 5811 1 7 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.067 -0.367 25240 5812 1 7 . 1 1 116 116 LYS C C 116 177.652 177.652 178.098 -0.446 25240 5813 1 7 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.302 0.092 25240 5814 1 7 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.377 0.151 25240 5815 1 7 . 1 1 116 116 LYS H H 116 7.714 7.714 7.313 0.401 25240 5816 1 7 . 1 1 117 117 SER N N 117 111.789 111.789 114.998 -3.209 25240 5817 1 7 . 1 1 117 117 SER HA H 117 4.179 4.179 4.221 -0.042 25240 5818 1 7 . 1 1 117 117 SER C C 117 174.483 174.483 175.541 -1.058 25240 5819 1 7 . 1 1 117 117 SER CA C 117 60.912 60.912 60.387 0.525 25240 5820 1 7 . 1 1 117 117 SER CB C 117 64.232 64.232 64.181 0.051 25240 5821 1 7 . 1 1 117 117 SER H H 117 6.957 6.957 7.594 -0.637 25240 5822 1 7 . 1 1 118 118 LEU N N 118 122.293 122.293 118.097 4.196 25240 5823 1 7 . 1 1 118 118 LEU HA H 118 3.922 3.922 4.325 -0.403 25240 5824 1 7 . 1 1 118 118 LEU C C 118 175.730 175.730 175.741 -0.011 25240 5825 1 7 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.825 -1.611 25240 5826 1 7 . 1 1 118 118 LEU CB C 118 37.448 37.448 40.620 -3.172 25240 5827 1 7 . 1 1 118 118 LEU H H 118 6.997 6.997 7.761 -0.764 25240 5828 1 7 . 1 1 119 119 VAL N N 119 121.059 121.059 120.910 0.149 25240 5829 1 7 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.776 -0.149 25240 5830 1 7 . 1 1 119 119 VAL C C 119 178.697 178.697 177.307 1.390 25240 5831 1 7 . 1 1 119 119 VAL CA C 119 64.919 64.919 64.200 0.719 25240 5832 1 7 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.503 -1.121 25240 5833 1 7 . 1 1 119 119 VAL H H 119 7.347 7.347 7.316 0.031 25240 5834 1 7 . 1 1 120 120 GLY N N 120 117.377 117.377 116.355 1.022 25240 5835 1 7 . 1 1 120 120 GLY C C 120 174.517 174.517 174.131 0.386 25240 5836 1 7 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.512 0.376 25240 5837 1 7 . 1 1 120 120 GLY H H 120 9.077 9.077 8.755 0.322 25240 5838 1 7 . 1 1 121 121 VAL N N 121 122.254 122.254 122.135 0.119 25240 5839 1 7 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.817 -0.055 25240 5840 1 7 . 1 1 121 121 VAL C C 121 175.966 175.966 176.089 -0.123 25240 5841 1 7 . 1 1 121 121 VAL CA C 121 64.117 64.117 64.127 -0.010 25240 5842 1 7 . 1 1 121 121 VAL CB C 121 31.611 31.611 31.935 -0.324 25240 5843 1 7 . 1 1 121 121 VAL H H 121 7.316 7.316 7.560 -0.244 25240 5844 1 7 . 1 1 122 122 GLN N N 122 123.484 123.484 125.385 -1.901 25240 5845 1 7 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.467 -0.214 25240 5846 1 7 . 1 1 122 122 GLN C C 122 174.854 174.854 176.142 -1.288 25240 5847 1 7 . 1 1 122 122 GLN CA C 122 56.105 56.105 56.828 -0.723 25240 5848 1 7 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.945 1.094 25240 5849 1 7 . 1 1 122 122 GLN H H 122 8.678 8.678 8.481 0.197 25240 5850 1 7 . 1 1 123 123 LYS N N 123 117.871 117.871 120.758 -2.887 25240 5851 1 7 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.499 -0.189 25240 5852 1 7 . 1 1 123 123 LYS C C 123 173.000 173.000 174.698 -1.698 25240 5853 1 7 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.623 -2.265 25240 5854 1 7 . 1 1 123 123 LYS CB C 123 34.816 34.816 33.538 1.278 25240 5855 1 7 . 1 1 123 123 LYS H H 123 6.726 6.726 7.573 -0.847 25240 5856 1 7 . 1 1 124 124 TYR N N 124 123.352 123.352 122.174 1.178 25240 5857 1 7 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.828 0.071 25240 5858 1 7 . 1 1 124 124 TYR C C 124 175.663 175.663 174.840 0.823 25240 5859 1 7 . 1 1 124 124 TYR CA C 124 54.846 54.846 54.878 -0.032 25240 5860 1 7 . 1 1 124 124 TYR CB C 124 40.424 40.424 39.339 1.085 25240 5861 1 7 . 1 1 124 124 TYR H H 124 8.441 8.441 8.326 0.115 25240 5862 1 7 . 1 1 125 125 ILE N N 125 122.835 122.835 123.886 -1.051 25240 5863 1 7 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.725 -0.323 25240 5864 1 7 . 1 1 125 125 ILE C C 125 174.348 174.348 173.960 0.388 25240 5865 1 7 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.743 0.139 25240 5866 1 7 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.294 -0.038 25240 5867 1 7 . 1 1 125 125 ILE H H 125 9.123 9.123 9.348 -0.225 25240 5868 1 7 . 1 1 126 126 GLN N N 126 126.869 126.869 126.013 0.856 25240 5869 1 7 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.730 0.147 25240 5870 1 7 . 1 1 126 126 GLN C C 126 174.146 174.146 174.013 0.133 25240 5871 1 7 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.907 -0.832 25240 5872 1 7 . 1 1 126 126 GLN CB C 126 29.551 29.551 30.155 -0.604 25240 5873 1 7 . 1 1 126 126 GLN H H 126 8.916 8.916 8.687 0.229 25240 5874 1 7 . 1 1 127 127 ALA N N 127 127.414 127.414 130.196 -2.782 25240 5875 1 7 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.891 0.072 25240 5876 1 7 . 1 1 127 127 ALA C C 127 176.539 176.539 176.974 -0.435 25240 5877 1 7 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.907 0.047 25240 5878 1 7 . 1 1 127 127 ALA CB C 127 21.882 21.882 21.134 0.747 25240 5879 1 7 . 1 1 127 127 ALA H H 127 8.829 8.829 9.117 -0.288 25240 5880 1 7 . 1 1 128 128 THR N N 128 112.753 112.753 121.271 -8.518 25240 5881 1 7 . 1 1 128 128 THR HA H 128 3.994 3.994 4.193 -0.199 25240 5882 1 7 . 1 1 128 128 THR C C 128 172.933 172.933 174.986 -2.053 25240 5883 1 7 . 1 1 128 128 THR CA C 128 60.912 60.912 64.208 -3.296 25240 5884 1 7 . 1 1 128 128 THR CB C 128 70.527 70.527 68.737 1.790 25240 5885 1 7 . 1 1 128 128 THR H H 128 9.350 9.350 8.652 0.698 25240 5886 1 7 . 1 1 129 129 ASP N N 129 118.551 118.551 119.746 -1.195 25240 5887 1 7 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.635 -0.057 25240 5888 1 7 . 1 1 129 129 ASP C C 129 176.573 176.573 178.601 -2.028 25240 5889 1 7 . 1 1 129 129 ASP CA C 129 53.015 53.015 53.343 -0.328 25240 5890 1 7 . 1 1 129 129 ASP CB C 129 43.744 43.744 41.882 1.862 25240 5891 1 7 . 1 1 129 129 ASP H H 129 7.602 7.602 8.108 -0.506 25240 5892 1 7 . 1 1 130 130 LEU N N 130 122.387 122.387 123.147 -0.760 25240 5893 1 7 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.212 -0.235 25240 5894 1 7 . 1 1 130 130 LEU C C 130 179.202 179.202 178.653 0.549 25240 5895 1 7 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.467 0.584 25240 5896 1 7 . 1 1 130 130 LEU CB C 130 41.569 41.569 41.858 -0.288 25240 5897 1 7 . 1 1 130 130 LEU H H 130 8.910 8.910 8.655 0.255 25240 5898 1 7 . 1 1 131 131 SER N N 131 116.410 116.410 114.856 1.554 25240 5899 1 7 . 1 1 131 131 SER HA H 131 3.856 3.856 4.176 -0.320 25240 5900 1 7 . 1 1 131 131 SER C C 131 177.180 177.180 177.249 -0.069 25240 5901 1 7 . 1 1 131 131 SER CA C 131 62.515 62.515 61.721 0.794 25240 5902 1 7 . 1 1 131 131 SER CB C 131 68.352 68.352 62.929 5.423 25240 5903 1 7 . 1 1 131 131 SER H H 131 8.645 8.645 9.266 -0.621 25240 5904 1 7 . 1 1 132 132 GLU N N 132 120.840 120.840 120.834 0.006 25240 5905 1 7 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.212 -0.142 25240 5906 1 7 . 1 1 132 132 GLU C C 132 175.427 175.427 177.452 -2.025 25240 5907 1 7 . 1 1 132 132 GLU CA C 132 57.021 57.021 58.440 -1.419 25240 5908 1 7 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.326 1.713 25240 5909 1 7 . 1 1 132 132 GLU H H 132 7.749 7.749 8.065 -0.316 25240 5910 1 7 . 1 1 133 133 ALA N N 133 117.182 117.182 119.039 -1.857 25240 5911 1 7 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.598 -0.247 25240 5912 1 7 . 1 1 133 133 ALA C C 133 175.730 175.730 177.003 -1.273 25240 5913 1 7 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.072 -0.690 25240 5914 1 7 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.179 1.100 25240 5915 1 7 . 1 1 133 133 ALA H H 133 7.347 7.347 7.313 0.034 25240 5916 1 7 . 1 1 134 134 SER N N 134 115.197 115.197 115.135 0.062 25240 5917 1 7 . 1 1 134 134 SER HA H 134 4.185 4.185 4.336 -0.151 25240 5918 1 7 . 1 1 134 134 SER C C 134 173.067 173.067 175.931 -2.864 25240 5919 1 7 . 1 1 134 134 SER CA C 134 58.509 58.509 57.661 0.848 25240 5920 1 7 . 1 1 134 134 SER CB C 134 64.690 64.690 64.425 0.265 25240 5921 1 7 . 1 1 134 134 SER H H 134 7.061 7.061 7.382 -0.321 25240 5922 1 7 . 1 1 135 135 ARG N N 135 122.190 122.190 125.367 -3.177 25240 5923 1 7 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.683 0.502 25240 5924 1 7 . 1 1 135 135 ARG C C 135 177.888 177.888 177.822 0.066 25240 5925 1 7 . 1 1 135 135 ARG CA C 135 60.111 60.111 58.628 1.483 25240 5926 1 7 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.204 0.347 25240 5927 1 7 . 1 1 135 135 ARG H H 135 8.961 8.961 8.642 0.319 25240 5928 1 7 . 1 1 136 136 GLU N N 136 115.480 115.480 120.754 -5.274 25240 5929 1 7 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.089 -0.294 25240 5930 1 7 . 1 1 136 136 GLU C C 136 178.865 178.865 178.446 0.419 25240 5931 1 7 . 1 1 136 136 GLU CA C 136 59.997 59.997 59.072 0.925 25240 5932 1 7 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.229 -0.480 25240 5933 1 7 . 1 1 136 136 GLU H H 136 8.588 8.588 8.365 0.223 25240 5934 1 7 . 1 1 137 137 ALA N N 137 123.947 123.947 121.816 2.131 25240 5935 1 7 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.181 -0.259 25240 5936 1 7 . 1 1 137 137 ALA C C 137 181.191 181.191 179.239 1.952 25240 5937 1 7 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.190 0.656 25240 5938 1 7 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.391 -0.057 25240 5939 1 7 . 1 1 137 137 ALA H H 137 7.578 7.578 7.670 -0.092 25240 5940 1 7 . 1 1 138 138 VAL N N 138 119.326 119.326 118.353 0.973 25240 5941 1 7 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.573 0.332 25240 5942 1 7 . 1 1 138 138 VAL C C 138 177.584 177.584 177.484 0.100 25240 5943 1 7 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.547 0.088 25240 5944 1 7 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.484 -0.445 25240 5945 1 7 . 1 1 138 138 VAL H H 138 8.108 8.108 7.867 0.241 25240 5946 1 7 . 1 1 139 139 GLU N N 139 119.418 119.418 120.615 -1.197 25240 5947 1 7 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.991 0.080 25240 5948 1 7 . 1 1 139 139 GLU C C 139 178.157 178.157 178.004 0.153 25240 5949 1 7 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.865 0.704 25240 5950 1 7 . 1 1 139 139 GLU CB C 139 29.093 29.093 29.384 -0.291 25240 5951 1 7 . 1 1 139 139 GLU H H 139 8.248 8.248 7.615 0.633 25240 5952 1 7 . 1 1 140 140 GLU N N 140 116.410 116.410 118.200 -1.790 25240 5953 1 7 . 1 1 140 140 GLU HA H 140 3.731 3.731 3.987 -0.256 25240 5954 1 7 . 1 1 140 140 GLU C C 140 179.202 179.202 179.201 0.001 25240 5955 1 7 . 1 1 140 140 GLU CA C 140 59.424 59.424 59.129 0.295 25240 5956 1 7 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.140 -0.046 25240 5957 1 7 . 1 1 140 140 GLU H H 140 7.305 7.305 8.162 -0.857 25240 5958 1 7 . 1 1 141 141 LYS N N 141 118.210 118.210 117.744 0.466 25240 5959 1 7 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.024 -0.094 25240 5960 1 7 . 1 1 141 141 LYS C C 141 179.607 179.607 178.511 1.096 25240 5961 1 7 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.687 -0.292 25240 5962 1 7 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.196 -0.013 25240 5963 1 7 . 1 1 141 141 LYS H H 141 7.292 7.292 7.543 -0.251 25240 5964 1 7 . 1 1 142 142 LEU N N 142 119.472 119.472 117.296 2.176 25240 5965 1 7 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.285 -0.606 25240 5966 1 7 . 1 1 142 142 LEU C C 142 178.663 178.663 178.936 -0.273 25240 5967 1 7 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.185 0.179 25240 5968 1 7 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.255 -0.831 25240 5969 1 7 . 1 1 142 142 LEU H H 142 8.112 8.112 7.339 0.773 25240 5970 1 7 . 1 1 143 143 ARG N N 143 117.384 117.384 119.042 -1.658 25240 5971 1 7 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.032 -0.072 25240 5972 1 7 . 1 1 143 143 ARG C C 143 177.989 177.989 178.884 -0.895 25240 5973 1 7 . 1 1 143 143 ARG CA C 143 58.051 58.051 57.546 0.505 25240 5974 1 7 . 1 1 143 143 ARG CB C 143 30.695 30.695 28.573 2.122 25240 5975 1 7 . 1 1 143 143 ARG H H 143 7.832 7.832 8.775 -0.943 25240 5976 1 7 . 1 1 144 144 ALA N N 144 121.192 121.192 122.994 -1.802 25240 5977 1 7 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.256 -0.175 25240 5978 1 7 . 1 1 144 144 ALA C C 144 178.697 178.697 178.048 0.649 25240 5979 1 7 . 1 1 144 144 ALA CA C 144 53.930 53.930 54.202 -0.272 25240 5980 1 7 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.672 0.118 25240 5981 1 7 . 1 1 144 144 ALA H H 144 7.284 7.284 7.736 -0.452 25240 5982 1 7 . 1 1 145 145 THR N N 145 109.503 109.503 107.452 2.051 25240 5983 1 7 . 1 1 145 145 THR HA H 145 4.270 4.270 4.603 -0.333 25240 5984 1 7 . 1 1 145 145 THR C C 145 174.787 174.787 173.882 0.905 25240 5985 1 7 . 1 1 145 145 THR CA C 145 61.828 61.828 61.264 0.564 25240 5986 1 7 . 1 1 145 145 THR CB C 145 68.925 68.925 69.768 -0.843 25240 5987 1 7 . 1 1 145 145 THR H H 145 7.690 7.690 7.577 0.113 25240 5988 1 7 . 1 1 146 146 ASP N N 146 122.786 122.786 121.468 1.318 25240 5989 1 7 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.823 -0.279 25240 5990 1 7 . 1 1 146 146 ASP C C 146 176.000 176.000 174.882 1.118 25240 5991 1 7 . 1 1 146 146 ASP CA C 146 54.732 54.732 52.492 2.240 25240 5992 1 7 . 1 1 146 146 ASP CB C 146 41.111 41.111 43.502 -2.391 25240 5993 1 7 . 1 1 146 146 ASP H H 146 7.873 7.873 7.336 0.537 25240 5994 1 7 . 1 1 147 147 ARG N N 147 120.926 120.926 120.216 0.710 25240 5995 1 7 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.470 -0.200 25240 5996 1 7 . 1 1 147 147 ARG C C 147 175.427 175.427 176.052 -0.625 25240 5997 1 7 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.810 0.295 25240 5998 1 7 . 1 1 147 147 ARG CB C 147 30.695 30.695 29.757 0.938 25240 5999 1 7 . 1 1 147 147 ARG H H 147 8.048 8.048 8.420 -0.372 25240 6000 1 8 . 1 1 2 2 ALA N N 2 126.020 126.020 126.362 -0.342 25240 6001 1 8 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.658 -0.451 25240 6002 1 8 . 1 1 2 2 ALA C C 2 177.605 177.605 176.399 1.206 25240 6003 1 8 . 1 1 2 2 ALA CA C 2 52.442 52.442 52.335 0.107 25240 6004 1 8 . 1 1 2 2 ALA CB C 2 19.135 19.135 20.712 -1.577 25240 6005 1 8 . 1 1 2 2 ALA H H 2 8.306 8.306 8.665 -0.359 25240 6006 1 8 . 1 1 3 3 SER N N 3 115.214 115.214 114.864 0.350 25240 6007 1 8 . 1 1 3 3 SER HA H 3 4.282 4.282 4.471 -0.189 25240 6008 1 8 . 1 1 3 3 SER C C 3 174.965 174.965 173.532 1.433 25240 6009 1 8 . 1 1 3 3 SER CA C 3 58.165 58.165 58.030 0.135 25240 6010 1 8 . 1 1 3 3 SER CB C 3 64.003 64.003 64.232 -0.229 25240 6011 1 8 . 1 1 3 3 SER H H 3 8.183 8.183 7.883 0.300 25240 6012 1 8 . 1 1 4 4 GLY N N 4 110.858 110.858 112.276 -1.418 25240 6013 1 8 . 1 1 4 4 GLY C C 4 173.716 173.716 172.196 1.520 25240 6014 1 8 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.745 0.258 25240 6015 1 8 . 1 1 4 4 GLY H H 4 8.279 8.279 8.156 0.123 25240 6016 1 8 . 1 1 5 5 VAL N N 5 119.961 119.961 120.219 -0.258 25240 6017 1 8 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.753 -0.625 25240 6018 1 8 . 1 1 5 5 VAL C C 5 176.275 176.275 174.533 1.742 25240 6019 1 8 . 1 1 5 5 VAL CA C 5 62.172 62.172 59.569 2.603 25240 6020 1 8 . 1 1 5 5 VAL CB C 5 32.641 32.641 34.519 -1.878 25240 6021 1 8 . 1 1 5 5 VAL H H 5 7.672 7.672 8.258 -0.586 25240 6022 1 8 . 1 1 6 6 THR N N 6 115.480 115.480 123.856 -8.376 25240 6023 1 8 . 1 1 6 6 THR HA H 6 4.487 4.487 4.599 -0.112 25240 6024 1 8 . 1 1 6 6 THR C C 6 173.252 173.252 172.988 0.264 25240 6025 1 8 . 1 1 6 6 THR CA C 6 59.882 59.882 61.896 -2.014 25240 6026 1 8 . 1 1 6 6 THR CB C 6 71.328 71.328 70.077 1.251 25240 6027 1 8 . 1 1 6 6 THR H H 6 7.756 7.756 8.461 -0.705 25240 6028 1 8 . 1 1 7 7 VAL N N 7 120.262 120.262 125.597 -5.335 25240 6029 1 8 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.350 -0.271 25240 6030 1 8 . 1 1 7 7 VAL C C 7 176.215 176.215 175.472 0.743 25240 6031 1 8 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.646 0.411 25240 6032 1 8 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.295 1.262 25240 6033 1 8 . 1 1 7 7 VAL H H 7 8.447 8.447 8.451 -0.004 25240 6034 1 8 . 1 1 8 8 SER N N 8 124.247 124.247 122.556 1.691 25240 6035 1 8 . 1 1 8 8 SER HA H 8 4.271 4.271 4.675 -0.404 25240 6036 1 8 . 1 1 8 8 SER C C 8 175.892 175.892 175.051 0.841 25240 6037 1 8 . 1 1 8 8 SER CA C 8 58.738 58.738 57.050 1.688 25240 6038 1 8 . 1 1 8 8 SER CB C 8 64.003 64.003 64.828 -0.825 25240 6039 1 8 . 1 1 8 8 SER H H 8 8.816 8.816 8.367 0.449 25240 6040 1 8 . 1 1 9 9 ASP N N 9 125.176 125.176 123.156 2.020 25240 6041 1 8 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.391 -0.082 25240 6042 1 8 . 1 1 9 9 ASP C C 9 178.492 178.492 177.778 0.714 25240 6043 1 8 . 1 1 9 9 ASP CA C 9 57.937 57.937 57.248 0.689 25240 6044 1 8 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.704 -0.509 25240 6045 1 8 . 1 1 9 9 ASP H H 9 9.033 9.033 8.872 0.161 25240 6046 1 8 . 1 1 10 10 VAL N N 10 117.738 117.738 118.941 -1.203 25240 6047 1 8 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.812 0.282 25240 6048 1 8 . 1 1 10 10 VAL C C 10 179.439 179.439 178.193 1.246 25240 6049 1 8 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.775 -1.200 25240 6050 1 8 . 1 1 10 10 VAL CB C 10 31.496 31.496 30.745 0.751 25240 6051 1 8 . 1 1 10 10 VAL H H 10 8.078 8.078 8.119 -0.041 25240 6052 1 8 . 1 1 11 11 CYS N N 11 121.775 121.775 118.115 3.660 25240 6053 1 8 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.394 -0.480 25240 6054 1 8 . 1 1 11 11 CYS C C 11 176.094 176.094 176.757 -0.663 25240 6055 1 8 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.712 1.062 25240 6056 1 8 . 1 1 11 11 CYS CB C 11 27.032 27.032 26.866 0.167 25240 6057 1 8 . 1 1 11 11 CYS H H 11 7.922 7.922 7.940 -0.018 25240 6058 1 8 . 1 1 12 12 LYS N N 12 117.392 117.392 120.784 -3.392 25240 6059 1 8 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.220 -0.306 25240 6060 1 8 . 1 1 12 12 LYS C C 12 179.097 179.097 178.714 0.383 25240 6061 1 8 . 1 1 12 12 LYS CA C 12 59.768 59.768 59.731 0.037 25240 6062 1 8 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.527 -0.573 25240 6063 1 8 . 1 1 12 12 LYS H H 12 7.010 7.010 7.838 -0.828 25240 6064 1 8 . 1 1 13 13 THR N N 13 114.683 114.683 115.469 -0.786 25240 6065 1 8 . 1 1 13 13 THR HA H 13 3.951 3.951 4.048 -0.097 25240 6066 1 8 . 1 1 13 13 THR C C 13 177.424 177.424 176.613 0.811 25240 6067 1 8 . 1 1 13 13 THR CA C 13 66.063 66.063 66.791 -0.728 25240 6068 1 8 . 1 1 13 13 THR CB C 13 67.666 67.666 68.717 -1.051 25240 6069 1 8 . 1 1 13 13 THR H H 13 8.309 8.309 8.396 -0.087 25240 6070 1 8 . 1 1 14 14 THR N N 14 118.012 118.012 117.785 0.227 25240 6071 1 8 . 1 1 14 14 THR HA H 14 4.015 4.015 4.050 -0.035 25240 6072 1 8 . 1 1 14 14 THR C C 14 176.316 176.316 175.689 0.627 25240 6073 1 8 . 1 1 14 14 THR CA C 14 67.208 67.208 66.236 0.972 25240 6074 1 8 . 1 1 14 14 THR CB C 14 62.515 62.515 68.759 -6.244 25240 6075 1 8 . 1 1 14 14 THR H H 14 8.138 8.138 7.655 0.483 25240 6076 1 8 . 1 1 15 15 TYR N N 15 120.840 120.840 123.054 -2.214 25240 6077 1 8 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.156 -0.019 25240 6078 1 8 . 1 1 15 15 TYR C C 15 177.081 177.081 177.228 -0.147 25240 6079 1 8 . 1 1 15 15 TYR CA C 15 60.684 60.684 60.887 -0.203 25240 6080 1 8 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.157 0.207 25240 6081 1 8 . 1 1 15 15 TYR H H 15 7.740 7.740 7.859 -0.119 25240 6082 1 8 . 1 1 16 16 GLU N N 16 120.605 120.605 119.118 1.487 25240 6083 1 8 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.821 -0.286 25240 6084 1 8 . 1 1 16 16 GLU C C 16 178.673 178.673 179.137 -0.464 25240 6085 1 8 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.927 0.070 25240 6086 1 8 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.218 -0.469 25240 6087 1 8 . 1 1 16 16 GLU H H 16 8.182 8.182 8.486 -0.304 25240 6088 1 8 . 1 1 17 17 GLU N N 17 117.384 117.384 118.878 -1.494 25240 6089 1 8 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.171 -0.050 25240 6090 1 8 . 1 1 17 17 GLU C C 17 179.399 179.399 179.015 0.384 25240 6091 1 8 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.422 0.430 25240 6092 1 8 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.993 -0.557 25240 6093 1 8 . 1 1 17 17 GLU H H 17 7.839 7.839 7.601 0.238 25240 6094 1 8 . 1 1 18 18 ILE N N 18 118.004 118.004 120.241 -2.237 25240 6095 1 8 . 1 1 18 18 ILE HA H 18 3.533 3.533 4.022 -0.489 25240 6096 1 8 . 1 1 18 18 ILE C C 18 177.081 177.081 176.943 0.138 25240 6097 1 8 . 1 1 18 18 ILE CA C 18 66.292 66.292 64.018 2.274 25240 6098 1 8 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.170 0.308 25240 6099 1 8 . 1 1 18 18 ILE H H 18 7.558 7.558 7.682 -0.124 25240 6100 1 8 . 1 1 19 19 LYS N N 19 121.213 121.213 117.972 3.241 25240 6101 1 8 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.077 -0.428 25240 6102 1 8 . 1 1 19 19 LYS C C 19 176.719 176.719 177.406 -0.687 25240 6103 1 8 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.055 1.026 25240 6104 1 8 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.060 1.153 25240 6105 1 8 . 1 1 19 19 LYS H H 19 8.387 8.387 7.920 0.467 25240 6106 1 8 . 1 1 20 20 LYS N N 20 115.307 115.307 119.142 -3.835 25240 6107 1 8 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.216 -0.095 25240 6108 1 8 . 1 1 20 20 LYS C C 20 178.008 178.008 177.707 0.301 25240 6109 1 8 . 1 1 20 20 LYS CA C 20 57.937 57.937 58.219 -0.282 25240 6110 1 8 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.530 -0.775 25240 6111 1 8 . 1 1 20 20 LYS H H 20 8.608 8.608 7.444 1.164 25240 6112 1 8 . 1 1 21 21 ASP N N 21 113.556 113.556 116.463 -2.907 25240 6113 1 8 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.728 -0.107 25240 6114 1 8 . 1 1 21 21 ASP C C 21 175.147 175.147 175.035 0.112 25240 6115 1 8 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.856 0.876 25240 6116 1 8 . 1 1 21 21 ASP CB C 21 42.713 42.713 42.191 0.522 25240 6117 1 8 . 1 1 21 21 ASP H H 21 6.395 6.395 8.114 -1.719 25240 6118 1 8 . 1 1 22 22 LYS N N 22 116.543 116.543 114.948 1.595 25240 6119 1 8 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.928 -0.147 25240 6120 1 8 . 1 1 22 22 LYS C C 22 176.900 176.900 176.028 0.872 25240 6121 1 8 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.775 -0.411 25240 6122 1 8 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.372 -1.508 25240 6123 1 8 . 1 1 22 22 LYS H H 22 7.402 7.402 8.117 -0.715 25240 6124 1 8 . 1 1 23 23 LYS N N 23 114.417 114.417 117.882 -3.465 25240 6125 1 8 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.127 -0.573 25240 6126 1 8 . 1 1 23 23 LYS C C 23 175.106 175.106 175.897 -0.791 25240 6127 1 8 . 1 1 23 23 LYS CA C 23 58.623 58.623 56.558 2.065 25240 6128 1 8 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.394 1.621 25240 6129 1 8 . 1 1 23 23 LYS H H 23 7.512 7.512 8.157 -0.645 25240 6130 1 8 . 1 1 24 24 HIS N N 24 108.361 108.361 116.861 -8.500 25240 6131 1 8 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.785 -0.997 25240 6132 1 8 . 1 1 24 24 HIS C C 24 175.308 175.308 175.847 -0.539 25240 6133 1 8 . 1 1 24 24 HIS CA C 24 51.298 51.298 56.260 -4.962 25240 6134 1 8 . 1 1 24 24 HIS CB C 24 32.412 32.412 29.430 2.982 25240 6135 1 8 . 1 1 24 24 HIS H H 24 6.099 6.099 8.096 -1.997 25240 6136 1 8 . 1 1 25 25 ARG N N 25 120.707 120.707 122.508 -1.801 25240 6137 1 8 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.456 -0.348 25240 6138 1 8 . 1 1 25 25 ARG C C 25 173.091 173.091 176.038 -2.947 25240 6139 1 8 . 1 1 25 25 ARG CA C 25 55.189 55.189 58.092 -2.903 25240 6140 1 8 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.477 -0.895 25240 6141 1 8 . 1 1 25 25 ARG H H 25 8.066 8.066 7.945 0.121 25240 6142 1 8 . 1 1 26 26 TYR N N 26 106.634 106.634 117.298 -10.664 25240 6143 1 8 . 1 1 26 26 TYR HA H 26 5.066 5.066 4.826 0.240 25240 6144 1 8 . 1 1 26 26 TYR C C 26 172.224 172.224 173.194 -0.970 25240 6145 1 8 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.372 -0.640 25240 6146 1 8 . 1 1 26 26 TYR CB C 26 41.111 41.111 41.326 -0.215 25240 6147 1 8 . 1 1 26 26 TYR H H 26 6.515 6.515 8.060 -1.545 25240 6148 1 8 . 1 1 27 27 VAL N N 27 116.941 116.941 126.348 -9.407 25240 6149 1 8 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.534 0.229 25240 6150 1 8 . 1 1 27 27 VAL C C 27 173.514 173.514 172.598 0.916 25240 6151 1 8 . 1 1 27 27 VAL CA C 27 59.310 59.310 59.142 0.168 25240 6152 1 8 . 1 1 27 27 VAL CB C 27 36.189 36.189 35.647 0.542 25240 6153 1 8 . 1 1 27 27 VAL H H 27 8.843 8.843 7.842 1.001 25240 6154 1 8 . 1 1 28 28 ILE N N 28 125.708 125.708 128.629 -2.921 25240 6155 1 8 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.105 0.936 25240 6156 1 8 . 1 1 28 28 ILE C C 28 175.590 175.590 174.372 1.218 25240 6157 1 8 . 1 1 28 28 ILE CA C 28 58.394 58.394 58.345 0.049 25240 6158 1 8 . 1 1 28 28 ILE CB C 28 38.135 38.135 37.516 0.619 25240 6159 1 8 . 1 1 28 28 ILE H H 28 8.915 8.915 8.695 0.220 25240 6160 1 8 . 1 1 29 29 PHE N N 29 125.649 125.649 127.589 -1.940 25240 6161 1 8 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.224 0.636 25240 6162 1 8 . 1 1 29 29 PHE C C 29 173.958 173.958 174.575 -0.617 25240 6163 1 8 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.004 -0.013 25240 6164 1 8 . 1 1 29 29 PHE CB C 29 42.599 42.599 39.978 2.621 25240 6165 1 8 . 1 1 29 29 PHE H H 29 9.597 9.597 9.186 0.411 25240 6166 1 8 . 1 1 30 30 TYR N N 30 120.134 120.134 124.944 -4.810 25240 6167 1 8 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.649 0.734 25240 6168 1 8 . 1 1 30 30 TYR C C 30 176.840 176.840 173.798 3.042 25240 6169 1 8 . 1 1 30 30 TYR CA C 30 54.503 54.503 55.911 -1.408 25240 6170 1 8 . 1 1 30 30 TYR CB C 30 42.027 42.027 42.685 -0.658 25240 6171 1 8 . 1 1 30 30 TYR H H 30 9.556 9.556 9.091 0.465 25240 6172 1 8 . 1 1 31 31 ILE N N 31 118.577 118.577 126.361 -7.784 25240 6173 1 8 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.364 -0.283 25240 6174 1 8 . 1 1 31 31 ILE C C 31 174.562 174.562 174.551 0.011 25240 6175 1 8 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.413 1.728 25240 6176 1 8 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.242 -1.137 25240 6177 1 8 . 1 1 31 31 ILE H H 31 8.475 8.475 8.127 0.348 25240 6178 1 8 . 1 1 32 32 ARG N N 32 132.544 132.544 129.579 2.965 25240 6179 1 8 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.543 -0.286 25240 6180 1 8 . 1 1 32 32 ARG C C 32 176.557 176.557 175.562 0.995 25240 6181 1 8 . 1 1 32 32 ARG CA C 32 55.304 55.304 56.438 -1.134 25240 6182 1 8 . 1 1 32 32 ARG CB C 32 31.496 31.496 31.171 0.325 25240 6183 1 8 . 1 1 32 32 ARG H H 32 8.994 8.994 8.970 0.024 25240 6184 1 8 . 1 1 33 33 ASP N N 33 128.042 128.042 122.029 6.013 25240 6185 1 8 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.337 -0.080 25240 6186 1 8 . 1 1 33 33 ASP C C 33 173.615 173.615 175.414 -1.799 25240 6187 1 8 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.099 -0.223 25240 6188 1 8 . 1 1 33 33 ASP CB C 33 39.966 39.966 39.543 0.423 25240 6189 1 8 . 1 1 33 33 ASP H H 33 9.442 9.442 8.982 0.460 25240 6190 1 8 . 1 1 34 34 GLU N N 34 108.952 108.952 111.504 -2.552 25240 6191 1 8 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.785 0.748 25240 6192 1 8 . 1 1 34 34 GLU C C 34 174.844 174.844 175.493 -0.649 25240 6193 1 8 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.931 0.463 25240 6194 1 8 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.392 -0.787 25240 6195 1 8 . 1 1 34 34 GLU H H 34 8.532 8.532 8.128 0.404 25240 6196 1 8 . 1 1 35 35 LYS N N 35 114.285 114.285 112.517 1.768 25240 6197 1 8 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.501 0.032 25240 6198 1 8 . 1 1 35 35 LYS C C 35 175.530 175.530 174.579 0.951 25240 6199 1 8 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.540 0.824 25240 6200 1 8 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.212 1.321 25240 6201 1 8 . 1 1 35 35 LYS H H 35 7.911 7.911 7.830 0.081 25240 6202 1 8 . 1 1 36 36 GLN N N 36 118.851 118.851 117.437 1.414 25240 6203 1 8 . 1 1 36 36 GLN HA H 36 5.027 5.027 5.381 -0.354 25240 6204 1 8 . 1 1 36 36 GLN C C 36 174.139 174.139 174.127 0.012 25240 6205 1 8 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.629 0.874 25240 6206 1 8 . 1 1 36 36 GLN CB C 36 33.213 33.213 33.193 0.020 25240 6207 1 8 . 1 1 36 36 GLN H H 36 7.483 7.483 8.050 -0.567 25240 6208 1 8 . 1 1 37 37 ILE N N 37 127.682 127.682 120.166 7.516 25240 6209 1 8 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.445 -0.150 25240 6210 1 8 . 1 1 37 37 ILE C C 37 173.333 173.333 175.068 -1.735 25240 6211 1 8 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.292 0.994 25240 6212 1 8 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.915 -0.894 25240 6213 1 8 . 1 1 37 37 ILE H H 37 9.208 9.208 8.988 0.220 25240 6214 1 8 . 1 1 38 38 ASP N N 38 128.702 128.702 127.069 1.633 25240 6215 1 8 . 1 1 38 38 ASP HA H 38 5.037 5.037 4.962 0.075 25240 6216 1 8 . 1 1 38 38 ASP C C 38 175.147 175.147 174.196 0.951 25240 6217 1 8 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.433 -0.563 25240 6218 1 8 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.276 0.642 25240 6219 1 8 . 1 1 38 38 ASP H H 38 9.380 9.380 9.095 0.285 25240 6220 1 8 . 1 1 39 39 VAL N N 39 122.387 122.387 121.626 0.761 25240 6221 1 8 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.711 -0.844 25240 6222 1 8 . 1 1 39 39 VAL C C 39 175.268 175.268 175.672 -0.404 25240 6223 1 8 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.604 2.284 25240 6224 1 8 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.574 0.097 25240 6225 1 8 . 1 1 39 39 VAL H H 39 8.769 8.769 8.623 0.146 25240 6226 1 8 . 1 1 40 40 GLU N N 40 128.576 128.576 126.633 1.943 25240 6227 1 8 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.536 -0.269 25240 6228 1 8 . 1 1 40 40 GLU C C 40 175.711 175.711 176.108 -0.397 25240 6229 1 8 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.425 1.283 25240 6230 1 8 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.335 1.420 25240 6231 1 8 . 1 1 40 40 GLU H H 40 9.512 9.512 8.616 0.896 25240 6232 1 8 . 1 1 41 41 THR N N 41 111.962 111.962 117.255 -5.293 25240 6233 1 8 . 1 1 41 41 THR HA H 41 4.423 4.423 4.538 -0.115 25240 6234 1 8 . 1 1 41 41 THR C C 41 171.559 171.559 172.148 -0.589 25240 6235 1 8 . 1 1 41 41 THR CA C 41 61.256 61.256 61.843 -0.587 25240 6236 1 8 . 1 1 41 41 THR CB C 41 71.901 71.901 70.677 1.224 25240 6237 1 8 . 1 1 41 41 THR H H 41 7.277 7.277 7.443 -0.166 25240 6238 1 8 . 1 1 42 42 VAL N N 42 123.660 123.660 121.648 2.012 25240 6239 1 8 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.991 -0.748 25240 6240 1 8 . 1 1 42 42 VAL C C 42 173.877 173.877 174.258 -0.381 25240 6241 1 8 . 1 1 42 42 VAL CA C 42 60.684 60.684 59.366 1.318 25240 6242 1 8 . 1 1 42 42 VAL CB C 42 34.015 34.015 34.260 -0.245 25240 6243 1 8 . 1 1 42 42 VAL H H 42 8.264 8.264 8.417 -0.153 25240 6244 1 8 . 1 1 43 43 ALA N N 43 126.970 126.970 128.806 -1.836 25240 6245 1 8 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.948 -0.512 25240 6246 1 8 . 1 1 43 43 ALA C C 43 176.759 176.759 175.727 1.032 25240 6247 1 8 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.815 -0.662 25240 6248 1 8 . 1 1 43 43 ALA CB C 43 20.737 20.737 22.425 -1.688 25240 6249 1 8 . 1 1 43 43 ALA H H 43 7.420 7.420 9.086 -1.666 25240 6250 1 8 . 1 1 44 44 ASP N N 44 120.831 120.831 122.477 -1.646 25240 6251 1 8 . 1 1 44 44 ASP HA H 44 4.575 4.575 5.105 -0.530 25240 6252 1 8 . 1 1 44 44 ASP C C 44 175.771 175.771 177.256 -1.485 25240 6253 1 8 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.949 1.210 25240 6254 1 8 . 1 1 44 44 ASP CB C 44 41.798 41.798 42.817 -1.019 25240 6255 1 8 . 1 1 44 44 ASP H H 44 8.285 8.285 8.634 -0.349 25240 6256 1 8 . 1 1 45 45 ARG N N 45 118.015 118.015 116.943 1.072 25240 6257 1 8 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.286 -0.726 25240 6258 1 8 . 1 1 45 45 ARG C C 45 175.764 175.764 176.621 -0.857 25240 6259 1 8 . 1 1 45 45 ARG CA C 45 56.792 56.792 56.511 0.281 25240 6260 1 8 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.147 0.861 25240 6261 1 8 . 1 1 45 45 ARG H H 45 8.020 8.020 8.197 -0.177 25240 6262 1 8 . 1 1 46 46 ASN N N 46 113.620 113.620 117.697 -4.077 25240 6263 1 8 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.601 0.053 25240 6264 1 8 . 1 1 46 46 ASN C C 46 175.090 175.090 175.530 -0.440 25240 6265 1 8 . 1 1 46 46 ASN CA C 46 52.900 52.900 54.689 -1.789 25240 6266 1 8 . 1 1 46 46 ASN CB C 46 37.792 37.792 39.108 -1.316 25240 6267 1 8 . 1 1 46 46 ASN H H 46 8.184 8.184 8.173 0.011 25240 6268 1 8 . 1 1 47 47 ALA N N 47 124.076 124.076 122.532 1.544 25240 6269 1 8 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.353 -0.146 25240 6270 1 8 . 1 1 47 47 ALA C C 47 176.472 176.472 176.229 0.243 25240 6271 1 8 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.019 1.996 25240 6272 1 8 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.200 0.766 25240 6273 1 8 . 1 1 47 47 ALA H H 47 7.515 7.515 7.311 0.204 25240 6274 1 8 . 1 1 48 48 GLU N N 48 117.871 117.871 120.573 -2.702 25240 6275 1 8 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.208 0.570 25240 6276 1 8 . 1 1 48 48 GLU C C 48 178.259 178.259 176.707 1.552 25240 6277 1 8 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.497 0.235 25240 6278 1 8 . 1 1 48 48 GLU CB C 48 32.755 32.755 31.001 1.754 25240 6279 1 8 . 1 1 48 48 GLU H H 48 8.327 8.327 7.909 0.418 25240 6280 1 8 . 1 1 49 49 TYR N N 49 122.704 122.704 119.422 3.282 25240 6281 1 8 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.593 -0.757 25240 6282 1 8 . 1 1 49 49 TYR C C 49 176.809 176.809 177.762 -0.953 25240 6283 1 8 . 1 1 49 49 TYR CA C 49 62.744 62.744 62.369 0.375 25240 6284 1 8 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.950 0.300 25240 6285 1 8 . 1 1 49 49 TYR H H 49 9.164 9.164 8.438 0.726 25240 6286 1 8 . 1 1 50 50 ASP N N 50 114.152 114.152 118.005 -3.853 25240 6287 1 8 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.344 -0.207 25240 6288 1 8 . 1 1 50 50 ASP C C 50 178.832 178.832 178.665 0.167 25240 6289 1 8 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.155 -0.791 25240 6290 1 8 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.077 -0.340 25240 6291 1 8 . 1 1 50 50 ASP H H 50 8.516 8.516 8.788 -0.272 25240 6292 1 8 . 1 1 51 51 GLN N N 51 120.262 120.262 118.203 2.059 25240 6293 1 8 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.030 -0.118 25240 6294 1 8 . 1 1 51 51 GLN C C 51 177.180 177.180 178.358 -1.178 25240 6295 1 8 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.298 0.554 25240 6296 1 8 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.491 0.373 25240 6297 1 8 . 1 1 51 51 GLN H H 51 7.290 7.290 7.581 -0.291 25240 6298 1 8 . 1 1 52 52 PHE N N 52 121.864 121.864 119.518 2.346 25240 6299 1 8 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.213 -0.966 25240 6300 1 8 . 1 1 52 52 PHE C C 52 175.697 175.697 177.597 -1.900 25240 6301 1 8 . 1 1 52 52 PHE CA C 52 60.569 60.569 61.210 -0.641 25240 6302 1 8 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.230 0.363 25240 6303 1 8 . 1 1 52 52 PHE H H 52 6.926 6.926 7.105 -0.179 25240 6304 1 8 . 1 1 53 53 LEU N N 53 116.512 116.512 119.579 -3.067 25240 6305 1 8 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.843 -0.650 25240 6306 1 8 . 1 1 53 53 LEU C C 53 179.877 179.877 178.718 1.159 25240 6307 1 8 . 1 1 53 53 LEU CA C 53 56.449 56.449 58.662 -2.213 25240 6308 1 8 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.181 0.159 25240 6309 1 8 . 1 1 53 53 LEU H H 53 7.382 7.382 7.770 -0.388 25240 6310 1 8 . 1 1 54 54 GLU N N 54 119.308 119.308 118.367 0.941 25240 6311 1 8 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.933 -0.275 25240 6312 1 8 . 1 1 54 54 GLU C C 54 179.371 179.371 179.025 0.346 25240 6313 1 8 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.220 0.024 25240 6314 1 8 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.206 -0.228 25240 6315 1 8 . 1 1 54 54 GLU H H 54 7.275 7.275 7.926 -0.651 25240 6316 1 8 . 1 1 55 55 ASP N N 55 119.986 119.986 119.104 0.882 25240 6317 1 8 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.464 -0.151 25240 6318 1 8 . 1 1 55 55 ASP C C 55 179.573 179.573 178.612 0.961 25240 6319 1 8 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.027 0.337 25240 6320 1 8 . 1 1 55 55 ASP CB C 55 40.195 40.195 41.273 -1.077 25240 6321 1 8 . 1 1 55 55 ASP H H 55 8.354 8.354 7.747 0.607 25240 6322 1 8 . 1 1 56 56 ILE N N 56 121.615 121.615 115.919 5.696 25240 6323 1 8 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.771 -0.298 25240 6324 1 8 . 1 1 56 56 ILE C C 56 173.674 173.674 177.404 -3.730 25240 6325 1 8 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.465 0.996 25240 6326 1 8 . 1 1 56 56 ILE CB C 56 36.762 36.762 36.809 -0.047 25240 6327 1 8 . 1 1 56 56 ILE H H 56 8.093 8.093 7.853 0.240 25240 6328 1 8 . 1 1 57 57 GLN N N 57 113.032 113.032 118.958 -5.926 25240 6329 1 8 . 1 1 57 57 GLN HA H 57 4.147 4.147 3.920 0.227 25240 6330 1 8 . 1 1 57 57 GLN C C 57 178.899 178.899 177.260 1.639 25240 6331 1 8 . 1 1 57 57 GLN CA C 57 55.991 55.991 58.108 -2.117 25240 6332 1 8 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.151 3.803 25240 6333 1 8 . 1 1 57 57 GLN H H 57 6.377 6.377 7.671 -1.294 25240 6334 1 8 . 1 1 58 58 LYS N N 58 122.152 122.152 117.799 4.353 25240 6335 1 8 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.197 -0.355 25240 6336 1 8 . 1 1 58 58 LYS C C 58 176.674 176.674 177.590 -0.916 25240 6337 1 8 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.399 2.025 25240 6338 1 8 . 1 1 58 58 LYS CB C 58 32.069 32.069 31.407 0.662 25240 6339 1 8 . 1 1 58 58 LYS H H 58 7.280 7.280 7.604 -0.324 25240 6340 1 8 . 1 1 59 59 CYS N N 59 116.543 116.543 119.021 -2.478 25240 6341 1 8 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.362 -0.216 25240 6342 1 8 . 1 1 59 59 CYS C C 59 175.056 175.056 174.404 0.652 25240 6343 1 8 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.564 -0.941 25240 6344 1 8 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.378 -2.460 25240 6345 1 8 . 1 1 59 59 CYS H H 59 7.784 7.784 7.547 0.237 25240 6346 1 8 . 1 1 60 60 GLY N N 60 109.550 109.550 107.183 2.367 25240 6347 1 8 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.885 -2.567 25240 6348 1 8 . 1 1 60 60 GLY H H 60 7.542 7.542 7.408 0.134 25240 6349 1 8 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.724 -0.496 25240 6350 1 8 . 1 1 61 61 PRO C C 61 177.079 177.079 176.757 0.322 25240 6351 1 8 . 1 1 61 61 PRO CA C 61 64.117 64.117 62.469 1.647 25240 6352 1 8 . 1 1 61 61 PRO CB C 61 31.496 31.496 30.345 1.151 25240 6353 1 8 . 1 1 62 62 GLY N N 62 106.490 106.490 108.538 -2.048 25240 6354 1 8 . 1 1 62 62 GLY C C 62 174.011 174.011 173.146 0.865 25240 6355 1 8 . 1 1 62 62 GLY CA C 62 45.117 45.117 45.373 -0.256 25240 6356 1 8 . 1 1 62 62 GLY H H 62 8.479 8.479 8.193 0.286 25240 6357 1 8 . 1 1 63 63 GLU N N 63 119.465 119.465 118.364 1.101 25240 6358 1 8 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.767 -0.469 25240 6359 1 8 . 1 1 63 63 GLU C C 63 173.775 173.775 174.603 -0.828 25240 6360 1 8 . 1 1 63 63 GLU CA C 63 54.961 54.961 55.005 -0.044 25240 6361 1 8 . 1 1 63 63 GLU CB C 63 33.557 33.557 34.502 -0.945 25240 6362 1 8 . 1 1 63 63 GLU H H 63 7.001 7.001 7.923 -0.922 25240 6363 1 8 . 1 1 64 64 CYS N N 64 111.402 111.402 118.205 -6.803 25240 6364 1 8 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.521 -1.012 25240 6365 1 8 . 1 1 64 64 CYS C C 64 173.371 173.371 174.405 -1.034 25240 6366 1 8 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.907 -1.260 25240 6367 1 8 . 1 1 64 64 CYS CB C 64 31.267 31.267 29.884 1.383 25240 6368 1 8 . 1 1 64 64 CYS H H 64 6.622 6.622 8.783 -2.161 25240 6369 1 8 . 1 1 65 65 ARG N N 65 117.835 117.835 121.693 -3.858 25240 6370 1 8 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.845 -0.171 25240 6371 1 8 . 1 1 65 65 ARG C C 65 174.820 174.820 174.319 0.501 25240 6372 1 8 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.539 -0.952 25240 6373 1 8 . 1 1 65 65 ARG CB C 65 39.737 39.737 32.395 7.342 25240 6374 1 8 . 1 1 65 65 ARG H H 65 8.621 8.621 9.286 -0.665 25240 6375 1 8 . 1 1 66 66 TYR N N 66 114.314 114.314 120.339 -6.025 25240 6376 1 8 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.842 0.233 25240 6377 1 8 . 1 1 66 66 TYR C C 66 176.068 176.068 174.949 1.119 25240 6378 1 8 . 1 1 66 66 TYR CA C 66 54.846 54.846 55.073 -0.227 25240 6379 1 8 . 1 1 66 66 TYR CB C 66 41.798 41.798 40.948 0.850 25240 6380 1 8 . 1 1 66 66 TYR H H 66 8.256 8.256 8.166 0.090 25240 6381 1 8 . 1 1 67 67 GLY N N 67 107.717 107.717 106.990 0.727 25240 6382 1 8 . 1 1 67 67 GLY C C 67 170.135 170.135 171.886 -1.751 25240 6383 1 8 . 1 1 67 67 GLY CA C 67 45.575 45.575 44.024 1.551 25240 6384 1 8 . 1 1 67 67 GLY H H 67 9.831 9.831 9.054 0.777 25240 6385 1 8 . 1 1 68 68 LEU N N 68 127.494 127.494 124.521 2.973 25240 6386 1 8 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.789 -0.295 25240 6387 1 8 . 1 1 68 68 LEU C C 68 173.674 173.674 174.729 -1.055 25240 6388 1 8 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.408 -0.084 25240 6389 1 8 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.752 2.425 25240 6390 1 8 . 1 1 68 68 LEU H H 68 9.391 9.391 8.280 1.111 25240 6391 1 8 . 1 1 69 69 PHE N N 69 126.775 126.775 129.195 -2.420 25240 6392 1 8 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.817 -1.314 25240 6393 1 8 . 1 1 69 69 PHE C C 69 172.629 172.629 174.037 -1.408 25240 6394 1 8 . 1 1 69 69 PHE CA C 69 56.334 56.334 54.544 1.790 25240 6395 1 8 . 1 1 69 69 PHE CB C 69 43.744 43.744 42.676 1.068 25240 6396 1 8 . 1 1 69 69 PHE H H 69 8.017 8.017 9.649 -1.632 25240 6397 1 8 . 1 1 70 70 ASP N N 70 126.639 126.639 130.269 -3.630 25240 6398 1 8 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.617 -0.826 25240 6399 1 8 . 1 1 70 70 ASP C C 70 172.764 172.764 175.111 -2.347 25240 6400 1 8 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.473 0.656 25240 6401 1 8 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.989 -2.336 25240 6402 1 8 . 1 1 70 70 ASP H H 70 7.087 7.087 8.752 -1.665 25240 6403 1 8 . 1 1 71 71 PHE N N 71 129.107 129.107 122.682 6.425 25240 6404 1 8 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.267 -0.571 25240 6405 1 8 . 1 1 71 71 PHE C C 71 174.315 174.315 173.872 0.443 25240 6406 1 8 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.892 2.961 25240 6407 1 8 . 1 1 71 71 PHE CB C 71 42.713 42.713 42.430 0.283 25240 6408 1 8 . 1 1 71 71 PHE H H 71 8.656 8.656 7.953 0.703 25240 6409 1 8 . 1 1 72 72 GLU N N 72 126.483 126.483 122.349 4.134 25240 6410 1 8 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.634 0.517 25240 6411 1 8 . 1 1 72 72 GLU C C 72 175.090 175.090 175.090 0.000 25240 6412 1 8 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.666 -0.934 25240 6413 1 8 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.471 2.369 25240 6414 1 8 . 1 1 72 72 GLU H H 72 8.134 8.134 8.774 -0.640 25240 6415 1 8 . 1 1 73 73 TYR N N 73 120.527 120.527 126.987 -6.460 25240 6416 1 8 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.886 -0.211 25240 6417 1 8 . 1 1 73 73 TYR C C 73 172.966 172.966 174.856 -1.890 25240 6418 1 8 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.275 -1.284 25240 6419 1 8 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.537 -2.028 25240 6420 1 8 . 1 1 73 73 TYR H H 73 8.504 8.504 8.946 -0.442 25240 6421 1 8 . 1 1 74 74 MET N N 74 118.604 118.604 123.984 -5.380 25240 6422 1 8 . 1 1 74 74 MET HA H 74 4.729 4.729 4.964 -0.235 25240 6423 1 8 . 1 1 74 74 MET C C 74 176.000 176.000 174.677 1.323 25240 6424 1 8 . 1 1 74 74 MET CA C 74 53.930 53.930 55.404 -1.474 25240 6425 1 8 . 1 1 74 74 MET CB C 74 32.412 32.412 33.698 -1.286 25240 6426 1 8 . 1 1 74 74 MET H H 74 8.752 8.752 8.341 0.411 25240 6427 1 8 . 1 1 75 75 HIS N N 75 123.810 123.810 122.380 1.430 25240 6428 1 8 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.959 -0.284 25240 6429 1 8 . 1 1 75 75 HIS C C 75 174.112 174.112 173.602 0.510 25240 6430 1 8 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.620 0.142 25240 6431 1 8 . 1 1 75 75 HIS CB C 75 32.755 32.755 33.428 -0.673 25240 6432 1 8 . 1 1 75 75 HIS H H 75 8.902 8.902 8.929 -0.027 25240 6433 1 8 . 1 1 76 76 GLN N N 76 125.324 125.324 121.115 4.209 25240 6434 1 8 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.670 -0.374 25240 6435 1 8 . 1 1 76 76 GLN C C 76 175.056 175.056 174.128 0.928 25240 6436 1 8 . 1 1 76 76 GLN CA C 76 55.189 55.189 54.954 0.235 25240 6437 1 8 . 1 1 76 76 GLN CB C 76 29.551 29.551 30.646 -1.095 25240 6438 1 8 . 1 1 76 76 GLN H H 76 8.292 8.292 8.528 -0.236 25240 6439 1 8 . 1 1 77 77 CYS N N 77 123.013 123.013 123.091 -0.078 25240 6440 1 8 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.671 -0.375 25240 6441 1 8 . 1 1 77 77 CYS C C 77 174.719 174.719 175.428 -0.709 25240 6442 1 8 . 1 1 77 77 CYS CA C 77 58.738 58.738 58.221 0.517 25240 6443 1 8 . 1 1 77 77 CYS CB C 77 27.948 27.948 30.087 -2.139 25240 6444 1 8 . 1 1 77 77 CYS H H 77 8.420 8.420 8.661 -0.241 25240 6445 1 8 . 1 1 78 78 GLN N N 78 123.960 123.960 122.800 1.160 25240 6446 1 8 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.972 0.128 25240 6447 1 8 . 1 1 78 78 GLN C C 78 176.910 176.910 175.216 1.694 25240 6448 1 8 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.196 -0.174 25240 6449 1 8 . 1 1 78 78 GLN CB C 78 28.635 28.635 28.711 -0.076 25240 6450 1 8 . 1 1 78 78 GLN H H 78 8.658 8.658 8.981 -0.323 25240 6451 1 8 . 1 1 79 79 GLY N N 79 111.173 111.173 103.216 7.957 25240 6452 1 8 . 1 1 79 79 GLY C C 79 174.315 174.315 174.281 0.034 25240 6453 1 8 . 1 1 79 79 GLY CA C 79 45.460 45.460 44.741 0.719 25240 6454 1 8 . 1 1 79 79 GLY H H 79 8.636 8.636 7.883 0.753 25240 6455 1 8 . 1 1 80 80 THR N N 80 111.761 111.761 118.990 -7.229 25240 6456 1 8 . 1 1 80 80 THR HA H 80 4.483 4.483 4.252 0.231 25240 6457 1 8 . 1 1 80 80 THR C C 80 174.483 174.483 174.812 -0.329 25240 6458 1 8 . 1 1 80 80 THR CA C 80 60.912 60.912 63.346 -2.434 25240 6459 1 8 . 1 1 80 80 THR CB C 80 70.413 70.413 68.911 1.502 25240 6460 1 8 . 1 1 80 80 THR H H 80 7.730 7.730 7.703 0.027 25240 6461 1 8 . 1 1 81 81 SER N N 81 116.277 116.277 124.943 -8.666 25240 6462 1 8 . 1 1 81 81 SER HA H 81 3.810 3.810 4.446 -0.636 25240 6463 1 8 . 1 1 81 81 SER C C 81 174.517 174.517 174.157 0.360 25240 6464 1 8 . 1 1 81 81 SER CA C 81 58.738 58.738 58.821 -0.083 25240 6465 1 8 . 1 1 81 81 SER CB C 81 63.545 63.545 61.327 2.218 25240 6466 1 8 . 1 1 81 81 SER H H 81 8.312 8.312 8.779 -0.467 25240 6467 1 8 . 1 1 82 82 GLU N N 82 121.911 121.911 122.435 -0.524 25240 6468 1 8 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.431 -0.182 25240 6469 1 8 . 1 1 82 82 GLU C C 82 176.202 176.202 176.310 -0.108 25240 6470 1 8 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.126 0.323 25240 6471 1 8 . 1 1 82 82 GLU CB C 82 30.695 30.695 30.268 0.427 25240 6472 1 8 . 1 1 82 82 GLU H H 82 8.058 8.058 8.227 -0.169 25240 6473 1 8 . 1 1 83 83 SER N N 83 117.340 117.340 114.660 2.680 25240 6474 1 8 . 1 1 83 83 SER HA H 83 4.292 4.292 4.107 0.185 25240 6475 1 8 . 1 1 83 83 SER C C 83 174.146 174.146 173.453 0.693 25240 6476 1 8 . 1 1 83 83 SER CA C 83 58.165 58.165 58.807 -0.642 25240 6477 1 8 . 1 1 83 83 SER CB C 83 64.461 64.461 62.238 2.223 25240 6478 1 8 . 1 1 83 83 SER H H 83 8.355 8.355 8.288 0.067 25240 6479 1 8 . 1 1 84 84 SER N N 84 117.340 117.340 115.929 1.411 25240 6480 1 8 . 1 1 84 84 SER HA H 84 4.734 4.734 4.390 0.344 25240 6481 1 8 . 1 1 84 84 SER C C 84 173.236 173.236 174.528 -1.292 25240 6482 1 8 . 1 1 84 84 SER CA C 84 57.708 57.708 59.600 -1.892 25240 6483 1 8 . 1 1 84 84 SER CB C 84 64.919 64.919 63.973 0.946 25240 6484 1 8 . 1 1 84 84 SER H H 84 8.435 8.435 8.102 0.333 25240 6485 1 8 . 1 1 85 85 LYS N N 85 123.283 123.283 125.740 -2.457 25240 6486 1 8 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.328 0.127 25240 6487 1 8 . 1 1 85 85 LYS C C 85 176.236 176.236 175.703 0.533 25240 6488 1 8 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.481 0.196 25240 6489 1 8 . 1 1 85 85 LYS CB C 85 32.755 32.755 33.037 -0.282 25240 6490 1 8 . 1 1 85 85 LYS H H 85 8.274 8.274 8.586 -0.312 25240 6491 1 8 . 1 1 86 86 LYS N N 86 125.176 125.176 127.897 -2.721 25240 6492 1 8 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.550 -0.245 25240 6493 1 8 . 1 1 86 86 LYS C C 86 174.753 174.753 175.209 -0.456 25240 6494 1 8 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.563 -0.175 25240 6495 1 8 . 1 1 86 86 LYS CB C 86 34.358 34.358 34.951 -0.593 25240 6496 1 8 . 1 1 86 86 LYS H H 86 8.590 8.590 8.769 -0.179 25240 6497 1 8 . 1 1 87 87 GLN N N 87 118.903 118.903 126.135 -7.232 25240 6498 1 8 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.485 0.684 25240 6499 1 8 . 1 1 87 87 GLN C C 87 175.562 175.562 175.376 0.186 25240 6500 1 8 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.512 -0.895 25240 6501 1 8 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.752 1.943 25240 6502 1 8 . 1 1 87 87 GLN H H 87 7.946 7.946 8.724 -0.778 25240 6503 1 8 . 1 1 88 88 LYS N N 88 124.114 124.114 124.101 0.013 25240 6504 1 8 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.327 0.311 25240 6505 1 8 . 1 1 88 88 LYS C C 88 174.449 174.449 174.271 0.178 25240 6506 1 8 . 1 1 88 88 LYS CA C 88 55.418 55.418 55.322 0.097 25240 6507 1 8 . 1 1 88 88 LYS CB C 88 36.876 36.876 35.381 1.495 25240 6508 1 8 . 1 1 88 88 LYS H H 88 9.258 9.258 8.110 1.148 25240 6509 1 8 . 1 1 89 89 LEU N N 89 123.968 123.968 124.093 -0.125 25240 6510 1 8 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.057 0.063 25240 6511 1 8 . 1 1 89 89 LEU C C 89 176.843 176.843 175.703 1.140 25240 6512 1 8 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.005 0.612 25240 6513 1 8 . 1 1 89 89 LEU CB C 89 43.972 43.972 42.779 1.193 25240 6514 1 8 . 1 1 89 89 LEU H H 89 8.318 8.318 8.608 -0.290 25240 6515 1 8 . 1 1 90 90 PHE N N 90 118.366 118.366 121.615 -3.249 25240 6516 1 8 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.422 0.025 25240 6517 1 8 . 1 1 90 90 PHE C C 90 171.786 171.786 174.833 -3.047 25240 6518 1 8 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.439 -1.250 25240 6519 1 8 . 1 1 90 90 PHE CB C 90 43.286 43.286 42.558 0.728 25240 6520 1 8 . 1 1 90 90 PHE H H 90 8.465 8.465 9.348 -0.883 25240 6521 1 8 . 1 1 91 91 LEU N N 91 121.719 121.719 125.888 -4.169 25240 6522 1 8 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.762 -0.257 25240 6523 1 8 . 1 1 91 91 LEU C C 91 174.449 174.449 175.250 -0.801 25240 6524 1 8 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.444 -0.544 25240 6525 1 8 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.451 1.726 25240 6526 1 8 . 1 1 91 91 LEU H H 91 8.437 8.437 9.329 -0.892 25240 6527 1 8 . 1 1 92 92 MET N N 92 126.389 126.389 124.606 1.783 25240 6528 1 8 . 1 1 92 92 MET HA H 92 6.176 6.176 5.998 0.178 25240 6529 1 8 . 1 1 92 92 MET C C 92 176.169 176.169 175.240 0.929 25240 6530 1 8 . 1 1 92 92 MET CA C 92 53.015 53.015 53.609 -0.594 25240 6531 1 8 . 1 1 92 92 MET CB C 92 39.623 39.623 36.473 3.150 25240 6532 1 8 . 1 1 92 92 MET H H 92 10.273 10.273 9.236 1.037 25240 6533 1 8 . 1 1 93 93 SER N N 93 120.841 120.841 119.135 1.706 25240 6534 1 8 . 1 1 93 93 SER HA H 93 4.885 4.885 5.059 -0.174 25240 6535 1 8 . 1 1 93 93 SER C C 93 172.225 172.225 173.768 -1.543 25240 6536 1 8 . 1 1 93 93 SER CA C 93 56.563 56.563 58.124 -1.561 25240 6537 1 8 . 1 1 93 93 SER CB C 93 63.545 63.545 64.249 -0.704 25240 6538 1 8 . 1 1 93 93 SER H H 93 9.038 9.038 9.100 -0.062 25240 6539 1 8 . 1 1 94 94 TRP N N 94 129.918 129.918 132.406 -2.488 25240 6540 1 8 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.198 -0.051 25240 6541 1 8 . 1 1 94 94 TRP C C 94 173.270 173.270 174.843 -1.573 25240 6542 1 8 . 1 1 94 94 TRP CA C 94 54.961 54.961 57.296 -2.335 25240 6543 1 8 . 1 1 94 94 TRP CB C 94 30.695 30.695 30.034 0.661 25240 6544 1 8 . 1 1 94 94 TRP H H 94 9.001 9.001 8.883 0.118 25240 6545 1 8 . 1 1 95 95 CYS N N 95 122.538 122.538 127.806 -5.268 25240 6546 1 8 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.772 0.049 25240 6547 1 8 . 1 1 95 95 CYS CA C 95 53.813 53.813 56.345 -2.532 25240 6548 1 8 . 1 1 95 95 CYS H H 95 7.319 7.319 8.982 -1.663 25240 6549 1 8 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.505 -0.686 25240 6550 1 8 . 1 1 96 96 PRO C C 96 177.888 177.888 176.807 1.081 25240 6551 1 8 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.414 -1.586 25240 6552 1 8 . 1 1 96 96 PRO CB C 96 31.840 31.840 31.343 0.497 25240 6553 1 8 . 1 1 97 97 ASP N N 97 118.960 118.960 123.863 -4.903 25240 6554 1 8 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.505 -0.447 25240 6555 1 8 . 1 1 97 97 ASP C C 97 176.809 176.809 176.884 -0.075 25240 6556 1 8 . 1 1 97 97 ASP CA C 97 56.906 56.906 55.719 1.187 25240 6557 1 8 . 1 1 97 97 ASP CB C 97 40.882 40.882 41.064 -0.182 25240 6558 1 8 . 1 1 97 97 ASP H H 97 8.040 8.040 8.234 -0.194 25240 6559 1 8 . 1 1 98 98 THR N N 98 104.267 104.267 112.707 -8.440 25240 6560 1 8 . 1 1 98 98 THR HA H 98 3.856 3.856 4.361 -0.505 25240 6561 1 8 . 1 1 98 98 THR C C 98 174.921 174.921 174.216 0.705 25240 6562 1 8 . 1 1 98 98 THR CA C 98 61.599 61.599 61.924 -0.325 25240 6563 1 8 . 1 1 98 98 THR CB C 98 68.925 68.925 68.874 0.051 25240 6564 1 8 . 1 1 98 98 THR H H 98 6.917 6.917 8.055 -1.138 25240 6565 1 8 . 1 1 99 99 ALA N N 99 125.807 125.807 124.806 1.001 25240 6566 1 8 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.463 -0.447 25240 6567 1 8 . 1 1 99 99 ALA C C 99 177.045 177.045 176.317 0.728 25240 6568 1 8 . 1 1 99 99 ALA CA C 99 52.099 52.099 51.499 0.600 25240 6569 1 8 . 1 1 99 99 ALA CB C 99 19.020 19.020 19.786 -0.766 25240 6570 1 8 . 1 1 99 99 ALA H H 99 7.496 7.496 7.378 0.118 25240 6571 1 8 . 1 1 100 100 LYS N N 100 119.465 119.465 119.296 0.169 25240 6572 1 8 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.223 -0.138 25240 6573 1 8 . 1 1 100 100 LYS C C 100 178.832 178.832 177.926 0.906 25240 6574 1 8 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.168 0.166 25240 6575 1 8 . 1 1 100 100 LYS CB C 100 32.527 32.527 33.148 -0.621 25240 6576 1 8 . 1 1 100 100 LYS H H 100 8.271 8.271 8.167 0.104 25240 6577 1 8 . 1 1 101 101 VAL N N 101 123.351 123.351 127.251 -3.900 25240 6578 1 8 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.705 -0.308 25240 6579 1 8 . 1 1 101 101 VAL C C 101 177.584 177.584 176.880 0.704 25240 6580 1 8 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.500 1.479 25240 6581 1 8 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.994 -0.498 25240 6582 1 8 . 1 1 101 101 VAL H H 101 8.518 8.518 8.892 -0.374 25240 6583 1 8 . 1 1 102 102 LYS N N 102 118.249 118.249 117.128 1.121 25240 6584 1 8 . 1 1 102 102 LYS HA H 102 3.931 3.931 3.982 -0.051 25240 6585 1 8 . 1 1 102 102 LYS C C 102 179.540 179.540 179.063 0.477 25240 6586 1 8 . 1 1 102 102 LYS CA C 102 59.882 59.882 59.274 0.608 25240 6587 1 8 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.749 0.549 25240 6588 1 8 . 1 1 102 102 LYS H H 102 8.558 8.558 8.439 0.119 25240 6589 1 8 . 1 1 103 103 LYS N N 103 118.668 118.668 117.688 0.980 25240 6590 1 8 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.304 -0.186 25240 6591 1 8 . 1 1 103 103 LYS C C 103 177.921 177.921 178.618 -0.697 25240 6592 1 8 . 1 1 103 103 LYS CA C 103 58.394 58.394 58.589 -0.195 25240 6593 1 8 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.787 -0.947 25240 6594 1 8 . 1 1 103 103 LYS H H 103 6.854 6.854 7.837 -0.983 25240 6595 1 8 . 1 1 104 104 LYS N N 104 119.199 119.199 119.792 -0.593 25240 6596 1 8 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.660 -0.766 25240 6597 1 8 . 1 1 104 104 LYS C C 104 180.011 180.011 178.325 1.686 25240 6598 1 8 . 1 1 104 104 LYS CA C 104 60.684 60.684 57.979 2.705 25240 6599 1 8 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.790 -0.064 25240 6600 1 8 . 1 1 104 104 LYS H H 104 8.048 8.048 7.645 0.403 25240 6601 1 8 . 1 1 105 105 MET N N 105 118.021 118.021 119.324 -1.303 25240 6602 1 8 . 1 1 105 105 MET HA H 105 4.121 4.121 4.168 -0.047 25240 6603 1 8 . 1 1 105 105 MET C C 105 178.899 178.899 177.614 1.285 25240 6604 1 8 . 1 1 105 105 MET CA C 105 58.509 58.509 56.472 2.037 25240 6605 1 8 . 1 1 105 105 MET CB C 105 32.069 32.069 32.352 -0.283 25240 6606 1 8 . 1 1 105 105 MET H H 105 8.546 8.546 8.052 0.494 25240 6607 1 8 . 1 1 106 106 LEU N N 106 122.895 122.895 118.796 4.099 25240 6608 1 8 . 1 1 106 106 LEU HA H 106 4.036 4.036 3.932 0.104 25240 6609 1 8 . 1 1 106 106 LEU C C 106 179.910 179.910 179.027 0.883 25240 6610 1 8 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.807 0.358 25240 6611 1 8 . 1 1 106 106 LEU CB C 106 41.912 41.912 41.236 0.676 25240 6612 1 8 . 1 1 106 106 LEU H H 106 7.674 7.674 7.400 0.274 25240 6613 1 8 . 1 1 107 107 TYR N N 107 119.036 119.036 113.848 5.188 25240 6614 1 8 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.516 -0.482 25240 6615 1 8 . 1 1 107 107 TYR C C 107 181.360 181.360 177.113 4.247 25240 6616 1 8 . 1 1 107 107 TYR CA C 107 60.912 60.912 57.876 3.036 25240 6617 1 8 . 1 1 107 107 TYR CB C 107 37.677 37.677 36.566 1.111 25240 6618 1 8 . 1 1 107 107 TYR H H 107 8.669 8.669 8.344 0.325 25240 6619 1 8 . 1 1 108 108 SER N N 108 118.372 118.372 117.088 1.284 25240 6620 1 8 . 1 1 108 108 SER HA H 108 4.324 4.324 3.872 0.452 25240 6621 1 8 . 1 1 108 108 SER C C 108 178.023 178.023 176.500 1.523 25240 6622 1 8 . 1 1 108 108 SER CA C 108 62.286 62.286 61.814 0.472 25240 6623 1 8 . 1 1 108 108 SER CB C 108 63.545 63.545 62.446 1.099 25240 6624 1 8 . 1 1 108 108 SER H H 108 8.973 8.973 7.386 1.587 25240 6625 1 8 . 1 1 109 109 SER N N 109 116.727 116.727 116.013 0.714 25240 6626 1 8 . 1 1 109 109 SER HA H 109 4.292 4.292 4.427 -0.135 25240 6627 1 8 . 1 1 109 109 SER C C 109 176.405 176.405 176.139 0.266 25240 6628 1 8 . 1 1 109 109 SER CA C 109 61.370 61.370 60.699 0.671 25240 6629 1 8 . 1 1 109 109 SER CB C 109 63.202 63.202 63.151 0.051 25240 6630 1 8 . 1 1 109 109 SER H H 109 8.353 8.353 7.513 0.840 25240 6631 1 8 . 1 1 110 110 SER N N 110 115.229 115.229 119.449 -4.220 25240 6632 1 8 . 1 1 110 110 SER HA H 110 4.549 4.549 3.990 0.559 25240 6633 1 8 . 1 1 110 110 SER C C 110 172.899 172.899 176.018 -3.119 25240 6634 1 8 . 1 1 110 110 SER CA C 110 59.424 59.424 61.766 -2.342 25240 6635 1 8 . 1 1 110 110 SER CB C 110 62.973 62.973 62.936 0.037 25240 6636 1 8 . 1 1 110 110 SER H H 110 7.236 7.236 7.483 -0.247 25240 6637 1 8 . 1 1 111 111 PHE N N 111 120.978 120.978 120.951 0.027 25240 6638 1 8 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.758 0.257 25240 6639 1 8 . 1 1 111 111 PHE C C 111 177.483 177.483 176.892 0.591 25240 6640 1 8 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.493 -3.785 25240 6641 1 8 . 1 1 111 111 PHE CB C 111 38.364 38.364 39.148 -0.784 25240 6642 1 8 . 1 1 111 111 PHE H H 111 7.069 7.069 8.687 -1.618 25240 6643 1 8 . 1 1 112 112 ASP N N 112 116.485 116.485 118.488 -2.003 25240 6644 1 8 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.339 -0.586 25240 6645 1 8 . 1 1 112 112 ASP C C 112 177.281 177.281 177.499 -0.218 25240 6646 1 8 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.117 1.362 25240 6647 1 8 . 1 1 112 112 ASP CB C 112 40.424 40.424 41.051 -0.627 25240 6648 1 8 . 1 1 112 112 ASP H H 112 8.305 8.305 7.775 0.530 25240 6649 1 8 . 1 1 113 113 ALA N N 113 121.059 121.059 121.813 -0.754 25240 6650 1 8 . 1 1 113 113 ALA HA H 113 3.753 3.753 4.074 -0.321 25240 6651 1 8 . 1 1 113 113 ALA C C 113 180.416 180.416 180.026 0.390 25240 6652 1 8 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.833 0.013 25240 6653 1 8 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.610 -1.535 25240 6654 1 8 . 1 1 113 113 ALA H H 113 7.393 7.393 7.432 -0.039 25240 6655 1 8 . 1 1 114 114 LEU N N 114 118.535 118.535 116.096 2.439 25240 6656 1 8 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.909 -0.277 25240 6657 1 8 . 1 1 114 114 LEU C C 114 178.191 178.191 178.094 0.097 25240 6658 1 8 . 1 1 114 114 LEU CA C 114 56.906 56.906 57.301 -0.395 25240 6659 1 8 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.289 1.051 25240 6660 1 8 . 1 1 114 114 LEU H H 114 6.647 6.647 7.746 -1.099 25240 6661 1 8 . 1 1 115 115 LYS N N 115 117.340 117.340 118.301 -0.961 25240 6662 1 8 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.708 -0.479 25240 6663 1 8 . 1 1 115 115 LYS C C 115 179.877 179.877 177.811 2.066 25240 6664 1 8 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.321 0.103 25240 6665 1 8 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.639 0.315 25240 6666 1 8 . 1 1 115 115 LYS H H 115 7.730 7.730 7.625 0.105 25240 6667 1 8 . 1 1 116 116 LYS N N 116 116.144 116.144 117.228 -1.084 25240 6668 1 8 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.084 -0.384 25240 6669 1 8 . 1 1 116 116 LYS C C 116 177.652 177.652 177.765 -0.113 25240 6670 1 8 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.245 0.149 25240 6671 1 8 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.358 0.169 25240 6672 1 8 . 1 1 116 116 LYS H H 116 7.714 7.714 7.334 0.380 25240 6673 1 8 . 1 1 117 117 SER N N 117 111.789 111.789 114.670 -2.881 25240 6674 1 8 . 1 1 117 117 SER HA H 117 4.179 4.179 4.374 -0.195 25240 6675 1 8 . 1 1 117 117 SER C C 117 174.483 174.483 175.674 -1.191 25240 6676 1 8 . 1 1 117 117 SER CA C 117 60.912 60.912 60.281 0.631 25240 6677 1 8 . 1 1 117 117 SER CB C 117 64.232 64.232 64.087 0.145 25240 6678 1 8 . 1 1 117 117 SER H H 117 6.957 6.957 7.649 -0.692 25240 6679 1 8 . 1 1 118 118 LEU N N 118 122.293 122.293 121.786 0.507 25240 6680 1 8 . 1 1 118 118 LEU HA H 118 3.922 3.922 3.092 0.830 25240 6681 1 8 . 1 1 118 118 LEU C C 118 175.730 175.730 175.414 0.316 25240 6682 1 8 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.397 -1.183 25240 6683 1 8 . 1 1 118 118 LEU CB C 118 37.448 37.448 39.495 -2.046 25240 6684 1 8 . 1 1 118 118 LEU H H 118 6.997 6.997 7.941 -0.944 25240 6685 1 8 . 1 1 119 119 VAL N N 119 121.059 121.059 120.869 0.190 25240 6686 1 8 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.836 -0.209 25240 6687 1 8 . 1 1 119 119 VAL C C 119 178.697 178.697 177.402 1.295 25240 6688 1 8 . 1 1 119 119 VAL CA C 119 64.919 64.919 63.890 1.029 25240 6689 1 8 . 1 1 119 119 VAL CB C 119 31.382 31.382 33.044 -1.663 25240 6690 1 8 . 1 1 119 119 VAL H H 119 7.347 7.347 7.592 -0.245 25240 6691 1 8 . 1 1 120 120 GLY N N 120 117.377 117.377 115.436 1.941 25240 6692 1 8 . 1 1 120 120 GLY C C 120 174.517 174.517 174.025 0.492 25240 6693 1 8 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.734 0.154 25240 6694 1 8 . 1 1 120 120 GLY H H 120 9.077 9.077 8.751 0.326 25240 6695 1 8 . 1 1 121 121 VAL N N 121 122.254 122.254 122.531 -0.277 25240 6696 1 8 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.912 -0.150 25240 6697 1 8 . 1 1 121 121 VAL C C 121 175.966 175.966 176.575 -0.609 25240 6698 1 8 . 1 1 121 121 VAL CA C 121 64.117 64.117 64.065 0.052 25240 6699 1 8 . 1 1 121 121 VAL CB C 121 31.611 31.611 31.091 0.520 25240 6700 1 8 . 1 1 121 121 VAL H H 121 7.316 7.316 7.524 -0.208 25240 6701 1 8 . 1 1 122 122 GLN N N 122 123.484 123.484 126.509 -3.025 25240 6702 1 8 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.359 -0.106 25240 6703 1 8 . 1 1 122 122 GLN C C 122 174.854 174.854 175.719 -0.865 25240 6704 1 8 . 1 1 122 122 GLN CA C 122 56.105 56.105 56.138 -0.033 25240 6705 1 8 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.687 1.352 25240 6706 1 8 . 1 1 122 122 GLN H H 122 8.678 8.678 8.138 0.540 25240 6707 1 8 . 1 1 123 123 LYS N N 123 117.871 117.871 120.185 -2.314 25240 6708 1 8 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.353 -0.043 25240 6709 1 8 . 1 1 123 123 LYS C C 123 173.000 173.000 174.205 -1.205 25240 6710 1 8 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.489 -2.131 25240 6711 1 8 . 1 1 123 123 LYS CB C 123 34.816 34.816 33.614 1.202 25240 6712 1 8 . 1 1 123 123 LYS H H 123 6.726 6.726 7.155 -0.429 25240 6713 1 8 . 1 1 124 124 TYR N N 124 123.352 123.352 122.046 1.306 25240 6714 1 8 . 1 1 124 124 TYR HA H 124 5.899 5.899 6.030 -0.131 25240 6715 1 8 . 1 1 124 124 TYR C C 124 175.663 175.663 175.205 0.458 25240 6716 1 8 . 1 1 124 124 TYR CA C 124 54.846 54.846 54.961 -0.115 25240 6717 1 8 . 1 1 124 124 TYR CB C 124 40.424 40.424 39.996 0.428 25240 6718 1 8 . 1 1 124 124 TYR H H 124 8.441 8.441 7.864 0.577 25240 6719 1 8 . 1 1 125 125 ILE N N 125 122.835 122.835 122.078 0.757 25240 6720 1 8 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.698 -0.296 25240 6721 1 8 . 1 1 125 125 ILE C C 125 174.348 174.348 174.040 0.308 25240 6722 1 8 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.164 0.718 25240 6723 1 8 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.947 -0.691 25240 6724 1 8 . 1 1 125 125 ILE H H 125 9.123 9.123 9.382 -0.259 25240 6725 1 8 . 1 1 126 126 GLN N N 126 126.869 126.869 123.232 3.637 25240 6726 1 8 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.908 -0.031 25240 6727 1 8 . 1 1 126 126 GLN C C 126 174.146 174.146 174.172 -0.026 25240 6728 1 8 . 1 1 126 126 GLN CA C 126 55.075 55.075 54.182 0.893 25240 6729 1 8 . 1 1 126 126 GLN CB C 126 29.551 29.551 31.513 -1.962 25240 6730 1 8 . 1 1 126 126 GLN H H 126 8.916 8.916 8.542 0.374 25240 6731 1 8 . 1 1 127 127 ALA N N 127 127.414 127.414 128.286 -0.872 25240 6732 1 8 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.887 0.076 25240 6733 1 8 . 1 1 127 127 ALA C C 127 176.539 176.539 176.977 -0.438 25240 6734 1 8 . 1 1 127 127 ALA CA C 127 50.954 50.954 51.069 -0.115 25240 6735 1 8 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.769 1.113 25240 6736 1 8 . 1 1 127 127 ALA H H 127 8.829 8.829 9.121 -0.292 25240 6737 1 8 . 1 1 128 128 THR N N 128 112.753 112.753 114.816 -2.063 25240 6738 1 8 . 1 1 128 128 THR HA H 128 3.994 3.994 4.590 -0.596 25240 6739 1 8 . 1 1 128 128 THR C C 128 172.933 172.933 174.487 -1.554 25240 6740 1 8 . 1 1 128 128 THR CA C 128 60.912 60.912 61.986 -1.074 25240 6741 1 8 . 1 1 128 128 THR CB C 128 70.527 70.527 69.195 1.332 25240 6742 1 8 . 1 1 128 128 THR H H 128 9.350 9.350 8.791 0.559 25240 6743 1 8 . 1 1 129 129 ASP N N 129 118.551 118.551 118.055 0.496 25240 6744 1 8 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.565 0.013 25240 6745 1 8 . 1 1 129 129 ASP C C 129 176.573 176.573 176.230 0.343 25240 6746 1 8 . 1 1 129 129 ASP CA C 129 53.015 53.015 53.316 -0.301 25240 6747 1 8 . 1 1 129 129 ASP CB C 129 43.744 43.744 43.295 0.449 25240 6748 1 8 . 1 1 129 129 ASP H H 129 7.602 7.602 7.466 0.136 25240 6749 1 8 . 1 1 130 130 LEU N N 130 122.387 122.387 122.851 -0.464 25240 6750 1 8 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.531 -0.554 25240 6751 1 8 . 1 1 130 130 LEU C C 130 179.202 179.202 178.230 0.972 25240 6752 1 8 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.124 0.927 25240 6753 1 8 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.279 -0.710 25240 6754 1 8 . 1 1 130 130 LEU H H 130 8.910 8.910 8.661 0.249 25240 6755 1 8 . 1 1 131 131 SER N N 131 116.410 116.410 115.064 1.346 25240 6756 1 8 . 1 1 131 131 SER HA H 131 3.856 3.856 4.183 -0.327 25240 6757 1 8 . 1 1 131 131 SER C C 131 177.180 177.180 176.092 1.088 25240 6758 1 8 . 1 1 131 131 SER CA C 131 62.515 62.515 61.791 0.724 25240 6759 1 8 . 1 1 131 131 SER CB C 131 68.352 68.352 63.113 5.239 25240 6760 1 8 . 1 1 131 131 SER H H 131 8.645 8.645 8.999 -0.354 25240 6761 1 8 . 1 1 132 132 GLU N N 132 120.840 120.840 117.072 3.768 25240 6762 1 8 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.386 -0.316 25240 6763 1 8 . 1 1 132 132 GLU C C 132 175.427 175.427 176.025 -0.598 25240 6764 1 8 . 1 1 132 132 GLU CA C 132 57.021 57.021 55.837 1.184 25240 6765 1 8 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.477 1.562 25240 6766 1 8 . 1 1 132 132 GLU H H 132 7.749 7.749 7.824 -0.075 25240 6767 1 8 . 1 1 133 133 ALA N N 133 117.182 117.182 119.894 -2.712 25240 6768 1 8 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.720 -0.369 25240 6769 1 8 . 1 1 133 133 ALA C C 133 175.730 175.730 177.440 -1.710 25240 6770 1 8 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.525 -1.143 25240 6771 1 8 . 1 1 133 133 ALA CB C 133 20.279 20.279 20.689 -0.411 25240 6772 1 8 . 1 1 133 133 ALA H H 133 7.347 7.347 7.485 -0.138 25240 6773 1 8 . 1 1 134 134 SER N N 134 115.197 115.197 115.470 -0.273 25240 6774 1 8 . 1 1 134 134 SER HA H 134 4.185 4.185 4.428 -0.243 25240 6775 1 8 . 1 1 134 134 SER C C 134 173.067 173.067 175.825 -2.758 25240 6776 1 8 . 1 1 134 134 SER CA C 134 58.509 58.509 57.526 0.983 25240 6777 1 8 . 1 1 134 134 SER CB C 134 64.690 64.690 64.874 -0.184 25240 6778 1 8 . 1 1 134 134 SER H H 134 7.061 7.061 7.641 -0.580 25240 6779 1 8 . 1 1 135 135 ARG N N 135 122.190 122.190 123.431 -1.241 25240 6780 1 8 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.814 0.371 25240 6781 1 8 . 1 1 135 135 ARG C C 135 177.888 177.888 178.185 -0.297 25240 6782 1 8 . 1 1 135 135 ARG CA C 135 60.111 60.111 58.769 1.342 25240 6783 1 8 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.245 0.306 25240 6784 1 8 . 1 1 135 135 ARG H H 135 8.961 8.961 8.952 0.009 25240 6785 1 8 . 1 1 136 136 GLU N N 136 115.480 115.480 119.461 -3.981 25240 6786 1 8 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.090 -0.295 25240 6787 1 8 . 1 1 136 136 GLU C C 136 178.865 178.865 177.833 1.032 25240 6788 1 8 . 1 1 136 136 GLU CA C 136 59.997 59.997 59.163 0.834 25240 6789 1 8 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.357 -0.608 25240 6790 1 8 . 1 1 136 136 GLU H H 136 8.588 8.588 8.625 -0.037 25240 6791 1 8 . 1 1 137 137 ALA N N 137 123.947 123.947 121.703 2.244 25240 6792 1 8 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.223 -0.301 25240 6793 1 8 . 1 1 137 137 ALA C C 137 181.191 181.191 179.531 1.660 25240 6794 1 8 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.412 0.434 25240 6795 1 8 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.863 -0.529 25240 6796 1 8 . 1 1 137 137 ALA H H 137 7.578 7.578 7.357 0.221 25240 6797 1 8 . 1 1 138 138 VAL N N 138 119.326 119.326 118.751 0.575 25240 6798 1 8 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.536 0.369 25240 6799 1 8 . 1 1 138 138 VAL C C 138 177.584 177.584 177.675 -0.091 25240 6800 1 8 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.058 0.577 25240 6801 1 8 . 1 1 138 138 VAL CB C 138 31.039 31.039 30.664 0.375 25240 6802 1 8 . 1 1 138 138 VAL H H 138 8.108 8.108 8.470 -0.362 25240 6803 1 8 . 1 1 139 139 GLU N N 139 119.418 119.418 120.277 -0.859 25240 6804 1 8 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.872 0.199 25240 6805 1 8 . 1 1 139 139 GLU C C 139 178.157 178.157 178.143 0.014 25240 6806 1 8 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.872 0.697 25240 6807 1 8 . 1 1 139 139 GLU CB C 139 29.093 29.093 29.157 -0.064 25240 6808 1 8 . 1 1 139 139 GLU H H 139 8.248 8.248 8.048 0.200 25240 6809 1 8 . 1 1 140 140 GLU N N 140 116.410 116.410 116.365 0.045 25240 6810 1 8 . 1 1 140 140 GLU HA H 140 3.731 3.731 4.090 -0.359 25240 6811 1 8 . 1 1 140 140 GLU C C 140 179.202 179.202 178.109 1.093 25240 6812 1 8 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.939 0.485 25240 6813 1 8 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.245 -0.152 25240 6814 1 8 . 1 1 140 140 GLU H H 140 7.305 7.305 8.137 -0.832 25240 6815 1 8 . 1 1 141 141 LYS N N 141 118.210 118.210 117.415 0.795 25240 6816 1 8 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.259 -0.329 25240 6817 1 8 . 1 1 141 141 LYS C C 141 179.607 179.607 178.467 1.140 25240 6818 1 8 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.108 0.287 25240 6819 1 8 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.666 -0.483 25240 6820 1 8 . 1 1 141 141 LYS H H 141 7.292 7.292 7.403 -0.111 25240 6821 1 8 . 1 1 142 142 LEU N N 142 119.472 119.472 118.779 0.693 25240 6822 1 8 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.561 -0.881 25240 6823 1 8 . 1 1 142 142 LEU C C 142 178.663 178.663 178.761 -0.098 25240 6824 1 8 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.792 -0.428 25240 6825 1 8 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.604 -1.180 25240 6826 1 8 . 1 1 142 142 LEU H H 142 8.112 8.112 7.957 0.155 25240 6827 1 8 . 1 1 143 143 ARG N N 143 117.384 117.384 118.590 -1.206 25240 6828 1 8 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.695 -0.735 25240 6829 1 8 . 1 1 143 143 ARG C C 143 177.989 177.989 178.209 -0.220 25240 6830 1 8 . 1 1 143 143 ARG CA C 143 58.051 58.051 56.951 1.100 25240 6831 1 8 . 1 1 143 143 ARG CB C 143 30.695 30.695 28.635 2.060 25240 6832 1 8 . 1 1 143 143 ARG H H 143 7.832 7.832 8.549 -0.717 25240 6833 1 8 . 1 1 144 144 ALA N N 144 121.192 121.192 121.273 -0.081 25240 6834 1 8 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.200 -0.119 25240 6835 1 8 . 1 1 144 144 ALA C C 144 178.697 178.697 178.381 0.316 25240 6836 1 8 . 1 1 144 144 ALA CA C 144 53.930 53.930 54.699 -0.769 25240 6837 1 8 . 1 1 144 144 ALA CB C 144 18.791 18.791 17.784 1.007 25240 6838 1 8 . 1 1 144 144 ALA H H 144 7.284 7.284 7.984 -0.700 25240 6839 1 8 . 1 1 145 145 THR N N 145 109.503 109.503 112.098 -2.595 25240 6840 1 8 . 1 1 145 145 THR HA H 145 4.270 4.270 4.180 0.090 25240 6841 1 8 . 1 1 145 145 THR C C 145 174.787 174.787 175.362 -0.575 25240 6842 1 8 . 1 1 145 145 THR CA C 145 61.828 61.828 64.362 -2.534 25240 6843 1 8 . 1 1 145 145 THR CB C 145 68.925 68.925 69.158 -0.233 25240 6844 1 8 . 1 1 145 145 THR H H 145 7.690 7.690 7.408 0.282 25240 6845 1 8 . 1 1 146 146 ASP N N 146 122.786 122.786 120.785 2.001 25240 6846 1 8 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.643 -0.099 25240 6847 1 8 . 1 1 146 146 ASP C C 146 176.000 176.000 176.193 -0.193 25240 6848 1 8 . 1 1 146 146 ASP CA C 146 54.732 54.732 55.656 -0.924 25240 6849 1 8 . 1 1 146 146 ASP CB C 146 41.111 41.111 41.219 -0.108 25240 6850 1 8 . 1 1 146 146 ASP H H 146 7.873 7.873 7.698 0.175 25240 6851 1 8 . 1 1 147 147 ARG N N 147 120.926 120.926 122.314 -1.388 25240 6852 1 8 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.145 0.125 25240 6853 1 8 . 1 1 147 147 ARG C C 147 175.427 175.427 174.588 0.839 25240 6854 1 8 . 1 1 147 147 ARG CA C 147 56.105 56.105 56.364 -0.259 25240 6855 1 8 . 1 1 147 147 ARG CB C 147 30.695 30.695 30.459 0.236 25240 6856 1 8 . 1 1 147 147 ARG H H 147 8.048 8.048 8.094 -0.046 25240 6857 1 9 . 1 1 2 2 ALA N N 2 126.020 126.020 126.378 -0.358 25240 6858 1 9 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.726 -0.519 25240 6859 1 9 . 1 1 2 2 ALA C C 2 177.605 177.605 176.424 1.181 25240 6860 1 9 . 1 1 2 2 ALA CA C 2 52.442 52.442 50.787 1.655 25240 6861 1 9 . 1 1 2 2 ALA CB C 2 19.135 19.135 21.144 -2.009 25240 6862 1 9 . 1 1 2 2 ALA H H 2 8.306 8.306 8.036 0.270 25240 6863 1 9 . 1 1 3 3 SER N N 3 115.214 115.214 116.684 -1.470 25240 6864 1 9 . 1 1 3 3 SER HA H 3 4.282 4.282 4.214 0.068 25240 6865 1 9 . 1 1 3 3 SER C C 3 174.965 174.965 174.524 0.441 25240 6866 1 9 . 1 1 3 3 SER CA C 3 58.165 58.165 59.739 -1.574 25240 6867 1 9 . 1 1 3 3 SER CB C 3 64.003 64.003 62.485 1.518 25240 6868 1 9 . 1 1 3 3 SER H H 3 8.183 8.183 8.432 -0.249 25240 6869 1 9 . 1 1 4 4 GLY N N 4 110.858 110.858 113.358 -2.500 25240 6870 1 9 . 1 1 4 4 GLY C C 4 173.716 173.716 172.944 0.772 25240 6871 1 9 . 1 1 4 4 GLY CA C 4 45.003 45.003 45.021 -0.018 25240 6872 1 9 . 1 1 4 4 GLY H H 4 8.279 8.279 8.149 0.130 25240 6873 1 9 . 1 1 5 5 VAL N N 5 119.961 119.961 121.400 -1.439 25240 6874 1 9 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.291 -0.163 25240 6875 1 9 . 1 1 5 5 VAL C C 5 176.275 176.275 175.703 0.572 25240 6876 1 9 . 1 1 5 5 VAL CA C 5 62.172 62.172 61.413 0.759 25240 6877 1 9 . 1 1 5 5 VAL CB C 5 32.641 32.641 32.466 0.175 25240 6878 1 9 . 1 1 5 5 VAL H H 5 7.672 7.672 8.056 -0.384 25240 6879 1 9 . 1 1 6 6 THR N N 6 115.480 115.480 121.600 -6.120 25240 6880 1 9 . 1 1 6 6 THR HA H 6 4.487 4.487 4.570 -0.083 25240 6881 1 9 . 1 1 6 6 THR C C 6 173.252 173.252 173.080 0.172 25240 6882 1 9 . 1 1 6 6 THR CA C 6 59.882 59.882 61.754 -1.872 25240 6883 1 9 . 1 1 6 6 THR CB C 6 71.328 71.328 69.907 1.421 25240 6884 1 9 . 1 1 6 6 THR H H 6 7.756 7.756 8.765 -1.009 25240 6885 1 9 . 1 1 7 7 VAL N N 7 120.262 120.262 123.206 -2.944 25240 6886 1 9 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.303 -0.224 25240 6887 1 9 . 1 1 7 7 VAL C C 7 176.215 176.215 175.527 0.688 25240 6888 1 9 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.706 0.351 25240 6889 1 9 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.562 0.995 25240 6890 1 9 . 1 1 7 7 VAL H H 7 8.447 8.447 8.231 0.216 25240 6891 1 9 . 1 1 8 8 SER N N 8 124.247 124.247 122.618 1.629 25240 6892 1 9 . 1 1 8 8 SER HA H 8 4.271 4.271 4.609 -0.338 25240 6893 1 9 . 1 1 8 8 SER C C 8 175.892 175.892 174.725 1.167 25240 6894 1 9 . 1 1 8 8 SER CA C 8 58.738 58.738 58.025 0.713 25240 6895 1 9 . 1 1 8 8 SER CB C 8 64.003 64.003 64.584 -0.581 25240 6896 1 9 . 1 1 8 8 SER H H 8 8.816 8.816 8.201 0.615 25240 6897 1 9 . 1 1 9 9 ASP N N 9 125.176 125.176 122.443 2.733 25240 6898 1 9 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.459 -0.150 25240 6899 1 9 . 1 1 9 9 ASP C C 9 178.492 178.492 177.618 0.874 25240 6900 1 9 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.961 0.976 25240 6901 1 9 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.590 -0.395 25240 6902 1 9 . 1 1 9 9 ASP H H 9 9.033 9.033 8.862 0.171 25240 6903 1 9 . 1 1 10 10 VAL N N 10 117.738 117.738 118.860 -1.122 25240 6904 1 9 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.738 0.356 25240 6905 1 9 . 1 1 10 10 VAL C C 10 179.439 179.439 177.573 1.866 25240 6906 1 9 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.358 -0.783 25240 6907 1 9 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.580 -0.084 25240 6908 1 9 . 1 1 10 10 VAL H H 10 8.078 8.078 8.104 -0.026 25240 6909 1 9 . 1 1 11 11 CYS N N 11 121.775 121.775 118.173 3.602 25240 6910 1 9 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.333 -0.419 25240 6911 1 9 . 1 1 11 11 CYS C C 11 176.094 176.094 176.470 -0.376 25240 6912 1 9 . 1 1 11 11 CYS CA C 11 63.774 63.774 61.696 2.078 25240 6913 1 9 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.186 -0.154 25240 6914 1 9 . 1 1 11 11 CYS H H 11 7.922 7.922 7.716 0.206 25240 6915 1 9 . 1 1 12 12 LYS N N 12 117.392 117.392 120.491 -3.099 25240 6916 1 9 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.117 -0.203 25240 6917 1 9 . 1 1 12 12 LYS C C 12 179.097 179.097 178.275 0.822 25240 6918 1 9 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.021 -0.253 25240 6919 1 9 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.397 -0.442 25240 6920 1 9 . 1 1 12 12 LYS H H 12 7.010 7.010 7.597 -0.587 25240 6921 1 9 . 1 1 13 13 THR N N 13 114.683 114.683 115.600 -0.917 25240 6922 1 9 . 1 1 13 13 THR HA H 13 3.951 3.951 4.026 -0.075 25240 6923 1 9 . 1 1 13 13 THR C C 13 177.424 177.424 176.900 0.524 25240 6924 1 9 . 1 1 13 13 THR CA C 13 66.063 66.063 66.666 -0.603 25240 6925 1 9 . 1 1 13 13 THR CB C 13 67.666 67.666 68.409 -0.743 25240 6926 1 9 . 1 1 13 13 THR H H 13 8.309 8.309 7.758 0.551 25240 6927 1 9 . 1 1 14 14 THR N N 14 118.012 118.012 118.639 -0.627 25240 6928 1 9 . 1 1 14 14 THR HA H 14 4.015 4.015 4.289 -0.274 25240 6929 1 9 . 1 1 14 14 THR C C 14 176.316 176.316 176.025 0.291 25240 6930 1 9 . 1 1 14 14 THR CA C 14 67.208 67.208 66.091 1.117 25240 6931 1 9 . 1 1 14 14 THR CB C 14 62.515 62.515 68.637 -6.122 25240 6932 1 9 . 1 1 14 14 THR H H 14 8.138 8.138 7.539 0.599 25240 6933 1 9 . 1 1 15 15 TYR N N 15 120.840 120.840 123.484 -2.644 25240 6934 1 9 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.131 0.006 25240 6935 1 9 . 1 1 15 15 TYR C C 15 177.081 177.081 177.233 -0.152 25240 6936 1 9 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.693 -1.009 25240 6937 1 9 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.096 0.268 25240 6938 1 9 . 1 1 15 15 TYR H H 15 7.740 7.740 7.786 -0.046 25240 6939 1 9 . 1 1 16 16 GLU N N 16 120.605 120.605 117.898 2.707 25240 6940 1 9 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.713 -0.178 25240 6941 1 9 . 1 1 16 16 GLU C C 16 178.673 178.673 179.134 -0.461 25240 6942 1 9 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.285 0.712 25240 6943 1 9 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.292 -0.543 25240 6944 1 9 . 1 1 16 16 GLU H H 16 8.182 8.182 8.199 -0.017 25240 6945 1 9 . 1 1 17 17 GLU N N 17 117.384 117.384 119.930 -2.546 25240 6946 1 9 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.096 0.025 25240 6947 1 9 . 1 1 17 17 GLU C C 17 179.399 179.399 179.088 0.311 25240 6948 1 9 . 1 1 17 17 GLU CA C 17 58.852 58.852 59.028 -0.176 25240 6949 1 9 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.851 -0.415 25240 6950 1 9 . 1 1 17 17 GLU H H 17 7.839 7.839 7.592 0.247 25240 6951 1 9 . 1 1 18 18 ILE N N 18 118.004 118.004 119.189 -1.185 25240 6952 1 9 . 1 1 18 18 ILE HA H 18 3.533 3.533 4.009 -0.476 25240 6953 1 9 . 1 1 18 18 ILE C C 18 177.081 177.081 176.814 0.267 25240 6954 1 9 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.689 2.603 25240 6955 1 9 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.133 0.345 25240 6956 1 9 . 1 1 18 18 ILE H H 18 7.558 7.558 8.215 -0.657 25240 6957 1 9 . 1 1 19 19 LYS N N 19 121.213 121.213 118.016 3.197 25240 6958 1 9 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.124 -0.475 25240 6959 1 9 . 1 1 19 19 LYS C C 19 176.719 176.719 177.011 -0.292 25240 6960 1 9 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.252 0.829 25240 6961 1 9 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.216 0.997 25240 6962 1 9 . 1 1 19 19 LYS H H 19 8.387 8.387 7.794 0.593 25240 6963 1 9 . 1 1 20 20 LYS N N 20 115.307 115.307 118.868 -3.561 25240 6964 1 9 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.220 -0.099 25240 6965 1 9 . 1 1 20 20 LYS C C 20 178.008 178.008 177.832 0.176 25240 6966 1 9 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.857 0.080 25240 6967 1 9 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.350 -0.595 25240 6968 1 9 . 1 1 20 20 LYS H H 20 8.608 8.608 7.454 1.154 25240 6969 1 9 . 1 1 21 21 ASP N N 21 113.556 113.556 117.919 -4.363 25240 6970 1 9 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.659 -0.038 25240 6971 1 9 . 1 1 21 21 ASP C C 21 175.147 175.147 175.675 -0.528 25240 6972 1 9 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.998 0.734 25240 6973 1 9 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.941 0.772 25240 6974 1 9 . 1 1 21 21 ASP H H 21 6.395 6.395 8.092 -1.697 25240 6975 1 9 . 1 1 22 22 LYS N N 22 116.543 116.543 115.189 1.354 25240 6976 1 9 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.927 -0.146 25240 6977 1 9 . 1 1 22 22 LYS C C 22 176.900 176.900 176.786 0.114 25240 6978 1 9 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.760 -0.396 25240 6979 1 9 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.653 -1.789 25240 6980 1 9 . 1 1 22 22 LYS H H 22 7.402 7.402 8.281 -0.879 25240 6981 1 9 . 1 1 23 23 LYS N N 23 114.417 114.417 117.317 -2.900 25240 6982 1 9 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.092 -0.538 25240 6983 1 9 . 1 1 23 23 LYS C C 23 175.106 175.106 177.355 -2.249 25240 6984 1 9 . 1 1 23 23 LYS CA C 23 58.623 58.623 57.337 1.286 25240 6985 1 9 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.468 1.547 25240 6986 1 9 . 1 1 23 23 LYS H H 23 7.512 7.512 7.854 -0.342 25240 6987 1 9 . 1 1 24 24 HIS N N 24 108.361 108.361 117.291 -8.930 25240 6988 1 9 . 1 1 24 24 HIS HA H 24 3.788 3.788 5.110 -1.322 25240 6989 1 9 . 1 1 24 24 HIS C C 24 175.308 175.308 175.861 -0.553 25240 6990 1 9 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.176 -3.878 25240 6991 1 9 . 1 1 24 24 HIS CB C 24 32.412 32.412 27.764 4.648 25240 6992 1 9 . 1 1 24 24 HIS H H 24 6.099 6.099 8.277 -2.178 25240 6993 1 9 . 1 1 25 25 ARG N N 25 120.707 120.707 118.640 2.067 25240 6994 1 9 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.343 -0.235 25240 6995 1 9 . 1 1 25 25 ARG C C 25 173.091 173.091 174.892 -1.801 25240 6996 1 9 . 1 1 25 25 ARG CA C 25 55.189 55.189 56.136 -0.947 25240 6997 1 9 . 1 1 25 25 ARG CB C 25 30.581 30.581 29.587 0.994 25240 6998 1 9 . 1 1 25 25 ARG H H 25 8.066 8.066 7.720 0.346 25240 6999 1 9 . 1 1 26 26 TYR N N 26 106.634 106.634 119.998 -13.364 25240 7000 1 9 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.475 -0.409 25240 7001 1 9 . 1 1 26 26 TYR C C 26 172.224 172.224 172.969 -0.745 25240 7002 1 9 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.142 -0.410 25240 7003 1 9 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.567 0.544 25240 7004 1 9 . 1 1 26 26 TYR H H 26 6.515 6.515 7.422 -0.907 25240 7005 1 9 . 1 1 27 27 VAL N N 27 116.941 116.941 128.140 -11.199 25240 7006 1 9 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.462 0.301 25240 7007 1 9 . 1 1 27 27 VAL C C 27 173.514 173.514 172.696 0.818 25240 7008 1 9 . 1 1 27 27 VAL CA C 27 59.310 59.310 58.962 0.348 25240 7009 1 9 . 1 1 27 27 VAL CB C 27 36.189 36.189 34.920 1.269 25240 7010 1 9 . 1 1 27 27 VAL H H 27 8.843 8.843 8.661 0.182 25240 7011 1 9 . 1 1 28 28 ILE N N 28 125.708 125.708 128.675 -2.967 25240 7012 1 9 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.386 0.655 25240 7013 1 9 . 1 1 28 28 ILE C C 28 175.590 175.590 174.638 0.952 25240 7014 1 9 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.629 -1.235 25240 7015 1 9 . 1 1 28 28 ILE CB C 28 38.135 38.135 38.278 -0.143 25240 7016 1 9 . 1 1 28 28 ILE H H 28 8.915 8.915 8.717 0.198 25240 7017 1 9 . 1 1 29 29 PHE N N 29 125.649 125.649 126.798 -1.149 25240 7018 1 9 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.205 0.655 25240 7019 1 9 . 1 1 29 29 PHE C C 29 173.958 173.958 174.939 -0.981 25240 7020 1 9 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.548 -0.557 25240 7021 1 9 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.888 1.711 25240 7022 1 9 . 1 1 29 29 PHE H H 29 9.597 9.597 9.361 0.236 25240 7023 1 9 . 1 1 30 30 TYR N N 30 120.134 120.134 122.685 -2.551 25240 7024 1 9 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.698 0.685 25240 7025 1 9 . 1 1 30 30 TYR C C 30 176.840 176.840 173.785 3.055 25240 7026 1 9 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.390 -1.887 25240 7027 1 9 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.389 -1.362 25240 7028 1 9 . 1 1 30 30 TYR H H 30 9.556 9.556 8.760 0.796 25240 7029 1 9 . 1 1 31 31 ILE N N 31 118.577 118.577 123.696 -5.119 25240 7030 1 9 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.371 -0.290 25240 7031 1 9 . 1 1 31 31 ILE C C 31 174.562 174.562 175.079 -0.517 25240 7032 1 9 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.960 1.181 25240 7033 1 9 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.173 -1.068 25240 7034 1 9 . 1 1 31 31 ILE H H 31 8.475 8.475 7.940 0.535 25240 7035 1 9 . 1 1 32 32 ARG N N 32 132.544 132.544 130.961 1.583 25240 7036 1 9 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.273 -0.016 25240 7037 1 9 . 1 1 32 32 ARG C C 32 176.557 176.557 175.907 0.650 25240 7038 1 9 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.709 -2.405 25240 7039 1 9 . 1 1 32 32 ARG CB C 32 31.496 31.496 30.755 0.741 25240 7040 1 9 . 1 1 32 32 ARG H H 32 8.994 8.994 9.066 -0.072 25240 7041 1 9 . 1 1 33 33 ASP N N 33 128.042 128.042 124.877 3.165 25240 7042 1 9 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.252 0.005 25240 7043 1 9 . 1 1 33 33 ASP C C 33 173.615 173.615 175.466 -1.851 25240 7044 1 9 . 1 1 33 33 ASP CA C 33 55.876 55.876 55.952 -0.076 25240 7045 1 9 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.560 -0.594 25240 7046 1 9 . 1 1 33 33 ASP H H 33 9.442 9.442 9.216 0.226 25240 7047 1 9 . 1 1 34 34 GLU N N 34 108.952 108.952 113.608 -4.656 25240 7048 1 9 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.906 0.627 25240 7049 1 9 . 1 1 34 34 GLU C C 34 174.844 174.844 175.657 -0.813 25240 7050 1 9 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.803 0.591 25240 7051 1 9 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.028 -0.423 25240 7052 1 9 . 1 1 34 34 GLU H H 34 8.532 8.532 7.914 0.618 25240 7053 1 9 . 1 1 35 35 LYS N N 35 114.285 114.285 112.267 2.018 25240 7054 1 9 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.534 -0.001 25240 7055 1 9 . 1 1 35 35 LYS C C 35 175.530 175.530 174.485 1.045 25240 7056 1 9 . 1 1 35 35 LYS CA C 35 57.364 57.364 57.038 0.327 25240 7057 1 9 . 1 1 35 35 LYS CB C 35 36.533 36.533 34.586 1.947 25240 7058 1 9 . 1 1 35 35 LYS H H 35 7.911 7.911 8.040 -0.129 25240 7059 1 9 . 1 1 36 36 GLN N N 36 118.851 118.851 116.632 2.219 25240 7060 1 9 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.705 0.322 25240 7061 1 9 . 1 1 36 36 GLN C C 36 174.139 174.139 174.162 -0.023 25240 7062 1 9 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.870 0.633 25240 7063 1 9 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.408 0.805 25240 7064 1 9 . 1 1 36 36 GLN H H 36 7.483 7.483 7.933 -0.450 25240 7065 1 9 . 1 1 37 37 ILE N N 37 127.682 127.682 119.640 8.042 25240 7066 1 9 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.168 0.127 25240 7067 1 9 . 1 1 37 37 ILE C C 37 173.333 173.333 175.150 -1.817 25240 7068 1 9 . 1 1 37 37 ILE CA C 37 62.286 62.286 62.674 -0.388 25240 7069 1 9 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.522 -0.501 25240 7070 1 9 . 1 1 37 37 ILE H H 37 9.208 9.208 8.827 0.381 25240 7071 1 9 . 1 1 38 38 ASP N N 38 128.702 128.702 125.260 3.442 25240 7072 1 9 . 1 1 38 38 ASP HA H 38 5.037 5.037 4.927 0.110 25240 7073 1 9 . 1 1 38 38 ASP C C 38 175.147 175.147 174.192 0.955 25240 7074 1 9 . 1 1 38 38 ASP CA C 38 51.870 51.870 53.576 -1.706 25240 7075 1 9 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.111 0.807 25240 7076 1 9 . 1 1 38 38 ASP H H 38 9.380 9.380 8.336 1.044 25240 7077 1 9 . 1 1 39 39 VAL N N 39 122.387 122.387 120.480 1.907 25240 7078 1 9 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.531 -0.664 25240 7079 1 9 . 1 1 39 39 VAL C C 39 175.268 175.268 175.252 0.016 25240 7080 1 9 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.317 2.571 25240 7081 1 9 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.814 -0.143 25240 7082 1 9 . 1 1 39 39 VAL H H 39 8.769 8.769 8.483 0.286 25240 7083 1 9 . 1 1 40 40 GLU N N 40 128.576 128.576 125.964 2.612 25240 7084 1 9 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.508 -0.241 25240 7085 1 9 . 1 1 40 40 GLU C C 40 175.711 175.711 176.282 -0.571 25240 7086 1 9 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.598 1.110 25240 7087 1 9 . 1 1 40 40 GLU CB C 40 32.755 32.755 32.118 0.637 25240 7088 1 9 . 1 1 40 40 GLU H H 40 9.512 9.512 8.469 1.043 25240 7089 1 9 . 1 1 41 41 THR N N 41 111.962 111.962 117.925 -5.963 25240 7090 1 9 . 1 1 41 41 THR HA H 41 4.423 4.423 4.502 -0.079 25240 7091 1 9 . 1 1 41 41 THR C C 41 171.559 171.559 172.293 -0.734 25240 7092 1 9 . 1 1 41 41 THR CA C 41 61.256 61.256 61.651 -0.395 25240 7093 1 9 . 1 1 41 41 THR CB C 41 71.901 71.901 70.397 1.504 25240 7094 1 9 . 1 1 41 41 THR H H 41 7.277 7.277 7.522 -0.245 25240 7095 1 9 . 1 1 42 42 VAL N N 42 123.660 123.660 121.747 1.913 25240 7096 1 9 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.528 -0.285 25240 7097 1 9 . 1 1 42 42 VAL C C 42 173.877 173.877 174.310 -0.433 25240 7098 1 9 . 1 1 42 42 VAL CA C 42 60.684 60.684 59.400 1.284 25240 7099 1 9 . 1 1 42 42 VAL CB C 42 34.015 34.015 32.180 1.835 25240 7100 1 9 . 1 1 42 42 VAL H H 42 8.264 8.264 8.531 -0.267 25240 7101 1 9 . 1 1 43 43 ALA N N 43 126.970 126.970 129.726 -2.756 25240 7102 1 9 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.787 -0.351 25240 7103 1 9 . 1 1 43 43 ALA C C 43 176.759 176.759 174.867 1.892 25240 7104 1 9 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.770 -0.617 25240 7105 1 9 . 1 1 43 43 ALA CB C 43 20.737 20.737 21.730 -0.993 25240 7106 1 9 . 1 1 43 43 ALA H H 43 7.420 7.420 9.011 -1.591 25240 7107 1 9 . 1 1 44 44 ASP N N 44 120.831 120.831 117.151 3.680 25240 7108 1 9 . 1 1 44 44 ASP HA H 44 4.575 4.575 5.461 -0.886 25240 7109 1 9 . 1 1 44 44 ASP C C 44 175.771 175.771 177.582 -1.811 25240 7110 1 9 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.105 2.054 25240 7111 1 9 . 1 1 44 44 ASP CB C 44 41.798 41.798 43.715 -1.917 25240 7112 1 9 . 1 1 44 44 ASP H H 44 8.285 8.285 8.260 0.025 25240 7113 1 9 . 1 1 45 45 ARG N N 45 118.015 118.015 120.743 -2.728 25240 7114 1 9 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.037 -0.477 25240 7115 1 9 . 1 1 45 45 ARG C C 45 175.764 175.764 177.782 -2.018 25240 7116 1 9 . 1 1 45 45 ARG CA C 45 56.792 56.792 58.587 -1.795 25240 7117 1 9 . 1 1 45 45 ARG CB C 45 30.008 30.008 30.480 -0.471 25240 7118 1 9 . 1 1 45 45 ARG H H 45 8.020 8.020 8.259 -0.239 25240 7119 1 9 . 1 1 46 46 ASN N N 46 113.620 113.620 117.829 -4.209 25240 7120 1 9 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.504 0.150 25240 7121 1 9 . 1 1 46 46 ASN C C 46 175.090 175.090 175.248 -0.158 25240 7122 1 9 . 1 1 46 46 ASN CA C 46 52.900 52.900 54.363 -1.463 25240 7123 1 9 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.713 -0.921 25240 7124 1 9 . 1 1 46 46 ASN H H 46 8.184 8.184 8.430 -0.246 25240 7125 1 9 . 1 1 47 47 ALA N N 47 124.076 124.076 123.421 0.655 25240 7126 1 9 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.319 -0.112 25240 7127 1 9 . 1 1 47 47 ALA C C 47 176.472 176.472 176.779 -0.307 25240 7128 1 9 . 1 1 47 47 ALA CA C 47 53.015 53.015 52.679 0.336 25240 7129 1 9 . 1 1 47 47 ALA CB C 47 20.966 20.966 19.160 1.806 25240 7130 1 9 . 1 1 47 47 ALA H H 47 7.515 7.515 7.498 0.017 25240 7131 1 9 . 1 1 48 48 GLU N N 48 117.871 117.871 126.514 -8.643 25240 7132 1 9 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.440 0.338 25240 7133 1 9 . 1 1 48 48 GLU C C 48 178.259 178.259 177.324 0.935 25240 7134 1 9 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.099 0.633 25240 7135 1 9 . 1 1 48 48 GLU CB C 48 32.755 32.755 32.345 0.410 25240 7136 1 9 . 1 1 48 48 GLU H H 48 8.327 8.327 8.797 -0.470 25240 7137 1 9 . 1 1 49 49 TYR N N 49 122.704 122.704 122.142 0.562 25240 7138 1 9 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.490 -0.655 25240 7139 1 9 . 1 1 49 49 TYR C C 49 176.809 176.809 177.245 -0.436 25240 7140 1 9 . 1 1 49 49 TYR CA C 49 62.744 62.744 62.301 0.443 25240 7141 1 9 . 1 1 49 49 TYR CB C 49 38.250 38.250 38.071 0.180 25240 7142 1 9 . 1 1 49 49 TYR H H 49 9.164 9.164 8.768 0.396 25240 7143 1 9 . 1 1 50 50 ASP N N 50 114.152 114.152 116.378 -2.226 25240 7144 1 9 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.214 -0.077 25240 7145 1 9 . 1 1 50 50 ASP C C 50 178.832 178.832 178.138 0.694 25240 7146 1 9 . 1 1 50 50 ASP CA C 50 57.364 57.364 57.590 -0.226 25240 7147 1 9 . 1 1 50 50 ASP CB C 50 39.737 39.737 39.771 -0.034 25240 7148 1 9 . 1 1 50 50 ASP H H 50 8.516 8.516 8.798 -0.282 25240 7149 1 9 . 1 1 51 51 GLN N N 51 120.262 120.262 119.482 0.780 25240 7150 1 9 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.035 -0.123 25240 7151 1 9 . 1 1 51 51 GLN C C 51 177.180 177.180 178.231 -1.051 25240 7152 1 9 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.875 -0.023 25240 7153 1 9 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.946 -0.082 25240 7154 1 9 . 1 1 51 51 GLN H H 51 7.290 7.290 7.278 0.012 25240 7155 1 9 . 1 1 52 52 PHE N N 52 121.864 121.864 118.795 3.069 25240 7156 1 9 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.349 -1.102 25240 7157 1 9 . 1 1 52 52 PHE C C 52 175.697 175.697 177.014 -1.317 25240 7158 1 9 . 1 1 52 52 PHE CA C 52 60.569 60.569 60.041 0.528 25240 7159 1 9 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.487 0.106 25240 7160 1 9 . 1 1 52 52 PHE H H 52 6.926 6.926 7.989 -1.063 25240 7161 1 9 . 1 1 53 53 LEU N N 53 116.512 116.512 121.732 -5.220 25240 7162 1 9 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.617 -0.424 25240 7163 1 9 . 1 1 53 53 LEU C C 53 179.877 179.877 178.124 1.753 25240 7164 1 9 . 1 1 53 53 LEU CA C 53 56.449 56.449 57.960 -1.511 25240 7165 1 9 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.224 0.116 25240 7166 1 9 . 1 1 53 53 LEU H H 53 7.382 7.382 6.785 0.597 25240 7167 1 9 . 1 1 54 54 GLU N N 54 119.308 119.308 118.435 0.873 25240 7168 1 9 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.865 -0.207 25240 7169 1 9 . 1 1 54 54 GLU C C 54 179.371 179.371 178.804 0.567 25240 7170 1 9 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.215 0.029 25240 7171 1 9 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.225 -0.247 25240 7172 1 9 . 1 1 54 54 GLU H H 54 7.275 7.275 7.682 -0.407 25240 7173 1 9 . 1 1 55 55 ASP N N 55 119.986 119.986 118.867 1.119 25240 7174 1 9 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.470 -0.157 25240 7175 1 9 . 1 1 55 55 ASP C C 55 179.573 179.573 178.885 0.688 25240 7176 1 9 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.248 0.116 25240 7177 1 9 . 1 1 55 55 ASP CB C 55 40.195 40.195 41.098 -0.903 25240 7178 1 9 . 1 1 55 55 ASP H H 55 8.354 8.354 7.708 0.646 25240 7179 1 9 . 1 1 56 56 ILE N N 56 121.615 121.615 115.517 6.098 25240 7180 1 9 . 1 1 56 56 ILE HA H 56 3.473 3.473 4.028 -0.555 25240 7181 1 9 . 1 1 56 56 ILE C C 56 173.674 173.674 177.230 -3.556 25240 7182 1 9 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.883 0.578 25240 7183 1 9 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.813 -1.051 25240 7184 1 9 . 1 1 56 56 ILE H H 56 8.093 8.093 7.530 0.563 25240 7185 1 9 . 1 1 57 57 GLN N N 57 113.032 113.032 119.392 -6.360 25240 7186 1 9 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.234 -0.087 25240 7187 1 9 . 1 1 57 57 GLN C C 57 178.899 178.899 177.528 1.371 25240 7188 1 9 . 1 1 57 57 GLN CA C 57 55.991 55.991 58.252 -2.261 25240 7189 1 9 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.170 3.784 25240 7190 1 9 . 1 1 57 57 GLN H H 57 6.377 6.377 7.788 -1.411 25240 7191 1 9 . 1 1 58 58 LYS N N 58 122.152 122.152 115.341 6.811 25240 7192 1 9 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.303 -0.461 25240 7193 1 9 . 1 1 58 58 LYS C C 58 176.674 176.674 177.779 -1.105 25240 7194 1 9 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.324 2.100 25240 7195 1 9 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.170 -0.101 25240 7196 1 9 . 1 1 58 58 LYS H H 58 7.280 7.280 7.636 -0.356 25240 7197 1 9 . 1 1 59 59 CYS N N 59 116.543 116.543 118.172 -1.629 25240 7198 1 9 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.419 -0.273 25240 7199 1 9 . 1 1 59 59 CYS C C 59 175.056 175.056 175.718 -0.662 25240 7200 1 9 . 1 1 59 59 CYS CA C 59 58.623 58.623 60.596 -1.973 25240 7201 1 9 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.235 -2.317 25240 7202 1 9 . 1 1 59 59 CYS H H 59 7.784 7.784 7.588 0.196 25240 7203 1 9 . 1 1 60 60 GLY N N 60 109.550 109.550 107.470 2.080 25240 7204 1 9 . 1 1 60 60 GLY CA C 60 42.318 42.318 45.391 -3.073 25240 7205 1 9 . 1 1 60 60 GLY H H 60 7.542 7.542 7.598 -0.056 25240 7206 1 9 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.367 -0.139 25240 7207 1 9 . 1 1 61 61 PRO C C 61 177.079 177.079 176.737 0.342 25240 7208 1 9 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.451 0.666 25240 7209 1 9 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.325 -0.829 25240 7210 1 9 . 1 1 62 62 GLY N N 62 106.490 106.490 105.493 0.997 25240 7211 1 9 . 1 1 62 62 GLY C C 62 174.011 174.011 173.803 0.208 25240 7212 1 9 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.149 0.968 25240 7213 1 9 . 1 1 62 62 GLY H H 62 8.479 8.479 8.462 0.017 25240 7214 1 9 . 1 1 63 63 GLU N N 63 119.465 119.465 117.862 1.603 25240 7215 1 9 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.755 -0.457 25240 7216 1 9 . 1 1 63 63 GLU C C 63 173.775 173.775 174.526 -0.751 25240 7217 1 9 . 1 1 63 63 GLU CA C 63 54.961 54.961 53.892 1.069 25240 7218 1 9 . 1 1 63 63 GLU CB C 63 33.557 33.557 34.411 -0.854 25240 7219 1 9 . 1 1 63 63 GLU H H 63 7.001 7.001 7.395 -0.394 25240 7220 1 9 . 1 1 64 64 CYS N N 64 111.402 111.402 117.599 -6.197 25240 7221 1 9 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.240 -0.731 25240 7222 1 9 . 1 1 64 64 CYS C C 64 173.371 173.371 174.043 -0.672 25240 7223 1 9 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.770 -1.123 25240 7224 1 9 . 1 1 64 64 CYS CB C 64 31.267 31.267 30.075 1.192 25240 7225 1 9 . 1 1 64 64 CYS H H 64 6.622 6.622 8.650 -2.028 25240 7226 1 9 . 1 1 65 65 ARG N N 65 117.835 117.835 121.736 -3.901 25240 7227 1 9 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.719 -0.045 25240 7228 1 9 . 1 1 65 65 ARG C C 65 174.820 174.820 174.116 0.704 25240 7229 1 9 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.262 -0.675 25240 7230 1 9 . 1 1 65 65 ARG CB C 65 39.737 39.737 32.176 7.561 25240 7231 1 9 . 1 1 65 65 ARG H H 65 8.621 8.621 9.077 -0.456 25240 7232 1 9 . 1 1 66 66 TYR N N 66 114.314 114.314 120.549 -6.235 25240 7233 1 9 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.785 0.290 25240 7234 1 9 . 1 1 66 66 TYR C C 66 176.068 176.068 175.466 0.602 25240 7235 1 9 . 1 1 66 66 TYR CA C 66 54.846 54.846 55.354 -0.508 25240 7236 1 9 . 1 1 66 66 TYR CB C 66 41.798 41.798 40.828 0.970 25240 7237 1 9 . 1 1 66 66 TYR H H 66 8.256 8.256 7.983 0.273 25240 7238 1 9 . 1 1 67 67 GLY N N 67 107.717 107.717 108.262 -0.545 25240 7239 1 9 . 1 1 67 67 GLY C C 67 170.135 170.135 172.013 -1.878 25240 7240 1 9 . 1 1 67 67 GLY CA C 67 45.575 45.575 43.916 1.659 25240 7241 1 9 . 1 1 67 67 GLY H H 67 9.831 9.831 9.305 0.526 25240 7242 1 9 . 1 1 68 68 LEU N N 68 127.494 127.494 125.680 1.814 25240 7243 1 9 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.569 -0.075 25240 7244 1 9 . 1 1 68 68 LEU C C 68 173.674 173.674 174.692 -1.018 25240 7245 1 9 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.657 -0.333 25240 7246 1 9 . 1 1 68 68 LEU CB C 68 47.177 47.177 43.971 3.206 25240 7247 1 9 . 1 1 68 68 LEU H H 68 9.391 9.391 9.009 0.382 25240 7248 1 9 . 1 1 69 69 PHE N N 69 126.775 126.775 129.516 -2.741 25240 7249 1 9 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.671 -1.168 25240 7250 1 9 . 1 1 69 69 PHE C C 69 172.629 172.629 173.730 -1.101 25240 7251 1 9 . 1 1 69 69 PHE CA C 69 56.334 56.334 54.517 1.817 25240 7252 1 9 . 1 1 69 69 PHE CB C 69 43.744 43.744 41.652 2.092 25240 7253 1 9 . 1 1 69 69 PHE H H 69 8.017 8.017 9.766 -1.749 25240 7254 1 9 . 1 1 70 70 ASP N N 70 126.639 126.639 130.514 -3.875 25240 7255 1 9 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.561 -0.770 25240 7256 1 9 . 1 1 70 70 ASP C C 70 172.764 172.764 174.862 -2.098 25240 7257 1 9 . 1 1 70 70 ASP CA C 70 53.129 53.129 53.093 0.036 25240 7258 1 9 . 1 1 70 70 ASP CB C 70 40.653 40.653 43.053 -2.400 25240 7259 1 9 . 1 1 70 70 ASP H H 70 7.087 7.087 9.428 -2.341 25240 7260 1 9 . 1 1 71 71 PHE N N 71 129.107 129.107 124.311 4.796 25240 7261 1 9 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.060 -0.364 25240 7262 1 9 . 1 1 71 71 PHE C C 71 174.315 174.315 173.114 1.201 25240 7263 1 9 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.781 3.071 25240 7264 1 9 . 1 1 71 71 PHE CB C 71 42.713 42.713 41.692 1.021 25240 7265 1 9 . 1 1 71 71 PHE H H 71 8.656 8.656 8.330 0.326 25240 7266 1 9 . 1 1 72 72 GLU N N 72 126.483 126.483 121.788 4.695 25240 7267 1 9 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.721 0.430 25240 7268 1 9 . 1 1 72 72 GLU C C 72 175.090 175.090 175.301 -0.211 25240 7269 1 9 . 1 1 72 72 GLU CA C 72 54.732 54.732 56.132 -1.400 25240 7270 1 9 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.935 1.905 25240 7271 1 9 . 1 1 72 72 GLU H H 72 8.134 8.134 8.753 -0.619 25240 7272 1 9 . 1 1 73 73 TYR N N 73 120.527 120.527 127.995 -7.468 25240 7273 1 9 . 1 1 73 73 TYR HA H 73 4.675 4.675 5.021 -0.346 25240 7274 1 9 . 1 1 73 73 TYR C C 73 172.966 172.966 174.175 -1.209 25240 7275 1 9 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.278 -1.287 25240 7276 1 9 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.604 -2.095 25240 7277 1 9 . 1 1 73 73 TYR H H 73 8.504 8.504 9.062 -0.558 25240 7278 1 9 . 1 1 74 74 MET N N 74 118.604 118.604 124.777 -6.173 25240 7279 1 9 . 1 1 74 74 MET HA H 74 4.729 4.729 5.434 -0.705 25240 7280 1 9 . 1 1 74 74 MET C C 74 176.000 176.000 174.190 1.810 25240 7281 1 9 . 1 1 74 74 MET CA C 74 53.930 53.930 54.079 -0.149 25240 7282 1 9 . 1 1 74 74 MET CB C 74 32.412 32.412 35.852 -3.441 25240 7283 1 9 . 1 1 74 74 MET H H 74 8.752 8.752 8.390 0.362 25240 7284 1 9 . 1 1 75 75 HIS N N 75 123.810 123.810 121.712 2.098 25240 7285 1 9 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.754 -0.079 25240 7286 1 9 . 1 1 75 75 HIS C C 75 174.112 174.112 174.075 0.037 25240 7287 1 9 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.794 -0.032 25240 7288 1 9 . 1 1 75 75 HIS CB C 75 32.755 32.755 33.875 -1.120 25240 7289 1 9 . 1 1 75 75 HIS H H 75 8.902 8.902 8.404 0.498 25240 7290 1 9 . 1 1 76 76 GLN N N 76 125.324 125.324 125.254 0.070 25240 7291 1 9 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.464 -0.168 25240 7292 1 9 . 1 1 76 76 GLN C C 76 175.056 175.056 175.698 -0.642 25240 7293 1 9 . 1 1 76 76 GLN CA C 76 55.189 55.189 56.138 -0.949 25240 7294 1 9 . 1 1 76 76 GLN CB C 76 29.551 29.551 28.442 1.109 25240 7295 1 9 . 1 1 76 76 GLN H H 76 8.292 8.292 8.330 -0.038 25240 7296 1 9 . 1 1 77 77 CYS N N 77 123.013 123.013 124.538 -1.525 25240 7297 1 9 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.689 -0.393 25240 7298 1 9 . 1 1 77 77 CYS C C 77 174.719 174.719 175.423 -0.704 25240 7299 1 9 . 1 1 77 77 CYS CA C 77 58.738 58.738 57.931 0.807 25240 7300 1 9 . 1 1 77 77 CYS CB C 77 27.948 27.948 29.265 -1.317 25240 7301 1 9 . 1 1 77 77 CYS H H 77 8.420 8.420 8.541 -0.121 25240 7302 1 9 . 1 1 78 78 GLN N N 78 123.960 123.960 122.088 1.872 25240 7303 1 9 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.925 0.175 25240 7304 1 9 . 1 1 78 78 GLN C C 78 176.910 176.910 175.845 1.065 25240 7305 1 9 . 1 1 78 78 GLN CA C 78 57.021 57.021 56.913 0.108 25240 7306 1 9 . 1 1 78 78 GLN CB C 78 28.635 28.635 26.922 1.714 25240 7307 1 9 . 1 1 78 78 GLN H H 78 8.658 8.658 9.305 -0.647 25240 7308 1 9 . 1 1 79 79 GLY N N 79 111.173 111.173 104.307 6.866 25240 7309 1 9 . 1 1 79 79 GLY C C 79 174.315 174.315 174.871 -0.556 25240 7310 1 9 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.094 0.366 25240 7311 1 9 . 1 1 79 79 GLY H H 79 8.636 8.636 8.427 0.209 25240 7312 1 9 . 1 1 80 80 THR N N 80 111.761 111.761 119.848 -8.087 25240 7313 1 9 . 1 1 80 80 THR HA H 80 4.483 4.483 4.242 0.241 25240 7314 1 9 . 1 1 80 80 THR C C 80 174.483 174.483 174.758 -0.275 25240 7315 1 9 . 1 1 80 80 THR CA C 80 60.912 60.912 63.439 -2.527 25240 7316 1 9 . 1 1 80 80 THR CB C 80 70.413 70.413 68.773 1.640 25240 7317 1 9 . 1 1 80 80 THR H H 80 7.730 7.730 7.875 -0.145 25240 7318 1 9 . 1 1 81 81 SER N N 81 116.277 116.277 123.111 -6.834 25240 7319 1 9 . 1 1 81 81 SER HA H 81 3.810 3.810 4.371 -0.561 25240 7320 1 9 . 1 1 81 81 SER C C 81 174.517 174.517 175.426 -0.909 25240 7321 1 9 . 1 1 81 81 SER CA C 81 58.738 58.738 59.256 -0.518 25240 7322 1 9 . 1 1 81 81 SER CB C 81 63.545 63.545 62.684 0.861 25240 7323 1 9 . 1 1 81 81 SER H H 81 8.312 8.312 8.910 -0.598 25240 7324 1 9 . 1 1 82 82 GLU N N 82 121.911 121.911 123.487 -1.576 25240 7325 1 9 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.092 0.157 25240 7326 1 9 . 1 1 82 82 GLU C C 82 176.202 176.202 176.321 -0.119 25240 7327 1 9 . 1 1 82 82 GLU CA C 82 56.449 56.449 57.554 -1.105 25240 7328 1 9 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.489 1.206 25240 7329 1 9 . 1 1 82 82 GLU H H 82 8.058 8.058 8.520 -0.462 25240 7330 1 9 . 1 1 83 83 SER N N 83 117.340 117.340 113.040 4.300 25240 7331 1 9 . 1 1 83 83 SER HA H 83 4.292 4.292 4.225 0.067 25240 7332 1 9 . 1 1 83 83 SER C C 83 174.146 174.146 173.510 0.636 25240 7333 1 9 . 1 1 83 83 SER CA C 83 58.165 58.165 58.967 -0.802 25240 7334 1 9 . 1 1 83 83 SER CB C 83 64.461 64.461 61.559 2.902 25240 7335 1 9 . 1 1 83 83 SER H H 83 8.355 8.355 7.824 0.531 25240 7336 1 9 . 1 1 84 84 SER N N 84 117.340 117.340 116.650 0.690 25240 7337 1 9 . 1 1 84 84 SER HA H 84 4.734 4.734 4.331 0.403 25240 7338 1 9 . 1 1 84 84 SER C C 84 173.236 173.236 175.010 -1.774 25240 7339 1 9 . 1 1 84 84 SER CA C 84 57.708 57.708 59.173 -1.465 25240 7340 1 9 . 1 1 84 84 SER CB C 84 64.919 64.919 63.401 1.518 25240 7341 1 9 . 1 1 84 84 SER H H 84 8.435 8.435 7.877 0.558 25240 7342 1 9 . 1 1 85 85 LYS N N 85 123.283 123.283 127.460 -4.177 25240 7343 1 9 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.487 -0.032 25240 7344 1 9 . 1 1 85 85 LYS C C 85 176.236 176.236 175.970 0.266 25240 7345 1 9 . 1 1 85 85 LYS CA C 85 56.677 56.677 55.678 0.999 25240 7346 1 9 . 1 1 85 85 LYS CB C 85 32.755 32.755 32.982 -0.227 25240 7347 1 9 . 1 1 85 85 LYS H H 85 8.274 8.274 8.275 -0.001 25240 7348 1 9 . 1 1 86 86 LYS N N 86 125.176 125.176 128.235 -3.059 25240 7349 1 9 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.593 -0.288 25240 7350 1 9 . 1 1 86 86 LYS C C 86 174.753 174.753 174.973 -0.220 25240 7351 1 9 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.753 -0.365 25240 7352 1 9 . 1 1 86 86 LYS CB C 86 34.358 34.358 34.833 -0.475 25240 7353 1 9 . 1 1 86 86 LYS H H 86 8.590 8.590 9.130 -0.540 25240 7354 1 9 . 1 1 87 87 GLN N N 87 118.903 118.903 125.645 -6.742 25240 7355 1 9 . 1 1 87 87 GLN HA H 87 5.169 5.169 5.017 0.152 25240 7356 1 9 . 1 1 87 87 GLN C C 87 175.562 175.562 175.452 0.110 25240 7357 1 9 . 1 1 87 87 GLN CA C 87 54.617 54.617 54.902 -0.285 25240 7358 1 9 . 1 1 87 87 GLN CB C 87 30.695 30.695 29.542 1.153 25240 7359 1 9 . 1 1 87 87 GLN H H 87 7.946 7.946 8.704 -0.758 25240 7360 1 9 . 1 1 88 88 LYS N N 88 124.114 124.114 123.672 0.442 25240 7361 1 9 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.434 0.204 25240 7362 1 9 . 1 1 88 88 LYS C C 88 174.449 174.449 174.156 0.293 25240 7363 1 9 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.484 0.934 25240 7364 1 9 . 1 1 88 88 LYS CB C 88 36.876 36.876 35.822 1.054 25240 7365 1 9 . 1 1 88 88 LYS H H 88 9.258 9.258 8.205 1.053 25240 7366 1 9 . 1 1 89 89 LEU N N 89 123.968 123.968 122.007 1.961 25240 7367 1 9 . 1 1 89 89 LEU HA H 89 5.120 5.120 4.505 0.615 25240 7368 1 9 . 1 1 89 89 LEU C C 89 176.843 176.843 175.857 0.986 25240 7369 1 9 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.726 -0.109 25240 7370 1 9 . 1 1 89 89 LEU CB C 89 43.972 43.972 41.633 2.339 25240 7371 1 9 . 1 1 89 89 LEU H H 89 8.318 8.318 8.577 -0.259 25240 7372 1 9 . 1 1 90 90 PHE N N 90 118.366 118.366 122.241 -3.875 25240 7373 1 9 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.418 0.029 25240 7374 1 9 . 1 1 90 90 PHE C C 90 171.786 171.786 174.739 -2.953 25240 7375 1 9 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.436 -1.247 25240 7376 1 9 . 1 1 90 90 PHE CB C 90 43.286 43.286 42.112 1.174 25240 7377 1 9 . 1 1 90 90 PHE H H 90 8.465 8.465 9.296 -0.831 25240 7378 1 9 . 1 1 91 91 LEU N N 91 121.719 121.719 124.245 -2.526 25240 7379 1 9 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.802 -0.297 25240 7380 1 9 . 1 1 91 91 LEU C C 91 174.449 174.449 175.131 -0.682 25240 7381 1 9 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.593 -0.693 25240 7382 1 9 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.983 1.194 25240 7383 1 9 . 1 1 91 91 LEU H H 91 8.437 8.437 9.516 -1.079 25240 7384 1 9 . 1 1 92 92 MET N N 92 126.389 126.389 124.291 2.098 25240 7385 1 9 . 1 1 92 92 MET HA H 92 6.176 6.176 6.036 0.140 25240 7386 1 9 . 1 1 92 92 MET C C 92 176.169 176.169 175.080 1.089 25240 7387 1 9 . 1 1 92 92 MET CA C 92 53.015 53.015 53.713 -0.698 25240 7388 1 9 . 1 1 92 92 MET CB C 92 39.623 39.623 36.650 2.973 25240 7389 1 9 . 1 1 92 92 MET H H 92 10.273 10.273 8.753 1.520 25240 7390 1 9 . 1 1 93 93 SER N N 93 120.841 120.841 117.990 2.851 25240 7391 1 9 . 1 1 93 93 SER HA H 93 4.885 4.885 5.202 -0.317 25240 7392 1 9 . 1 1 93 93 SER C C 93 172.225 172.225 174.063 -1.838 25240 7393 1 9 . 1 1 93 93 SER CA C 93 56.563 56.563 57.288 -0.725 25240 7394 1 9 . 1 1 93 93 SER CB C 93 63.545 63.545 64.466 -0.922 25240 7395 1 9 . 1 1 93 93 SER H H 93 9.038 9.038 8.778 0.260 25240 7396 1 9 . 1 1 94 94 TRP N N 94 129.918 129.918 132.310 -2.392 25240 7397 1 9 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.236 -0.089 25240 7398 1 9 . 1 1 94 94 TRP C C 94 173.270 173.270 175.044 -1.774 25240 7399 1 9 . 1 1 94 94 TRP CA C 94 54.961 54.961 57.377 -2.416 25240 7400 1 9 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.677 1.018 25240 7401 1 9 . 1 1 94 94 TRP H H 94 9.001 9.001 9.071 -0.070 25240 7402 1 9 . 1 1 95 95 CYS N N 95 122.538 122.538 124.181 -1.643 25240 7403 1 9 . 1 1 95 95 CYS HA H 95 4.821 4.821 5.077 -0.256 25240 7404 1 9 . 1 1 95 95 CYS CA C 95 53.813 53.813 55.481 -1.668 25240 7405 1 9 . 1 1 95 95 CYS H H 95 7.319 7.319 9.195 -1.876 25240 7406 1 9 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.537 -0.718 25240 7407 1 9 . 1 1 96 96 PRO C C 96 177.888 177.888 176.975 0.913 25240 7408 1 9 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.395 -1.567 25240 7409 1 9 . 1 1 96 96 PRO CB C 96 31.840 31.840 31.268 0.572 25240 7410 1 9 . 1 1 97 97 ASP N N 97 118.960 118.960 124.077 -5.117 25240 7411 1 9 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.286 -0.228 25240 7412 1 9 . 1 1 97 97 ASP C C 97 176.809 176.809 176.422 0.387 25240 7413 1 9 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.280 0.626 25240 7414 1 9 . 1 1 97 97 ASP CB C 97 40.882 40.882 41.201 -0.319 25240 7415 1 9 . 1 1 97 97 ASP H H 97 8.040 8.040 8.324 -0.284 25240 7416 1 9 . 1 1 98 98 THR N N 98 104.267 104.267 108.770 -4.503 25240 7417 1 9 . 1 1 98 98 THR HA H 98 3.856 3.856 4.417 -0.561 25240 7418 1 9 . 1 1 98 98 THR C C 98 174.921 174.921 173.995 0.926 25240 7419 1 9 . 1 1 98 98 THR CA C 98 61.599 61.599 61.346 0.253 25240 7420 1 9 . 1 1 98 98 THR CB C 98 68.925 68.925 68.546 0.379 25240 7421 1 9 . 1 1 98 98 THR H H 98 6.917 6.917 7.664 -0.747 25240 7422 1 9 . 1 1 99 99 ALA N N 99 125.807 125.807 125.387 0.420 25240 7423 1 9 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.311 -0.295 25240 7424 1 9 . 1 1 99 99 ALA C C 99 177.045 177.045 176.467 0.578 25240 7425 1 9 . 1 1 99 99 ALA CA C 99 52.099 52.099 51.995 0.104 25240 7426 1 9 . 1 1 99 99 ALA CB C 99 19.020 19.020 19.661 -0.641 25240 7427 1 9 . 1 1 99 99 ALA H H 99 7.496 7.496 7.509 -0.013 25240 7428 1 9 . 1 1 100 100 LYS N N 100 119.465 119.465 121.347 -1.882 25240 7429 1 9 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.329 -0.244 25240 7430 1 9 . 1 1 100 100 LYS C C 100 178.832 178.832 177.752 1.080 25240 7431 1 9 . 1 1 100 100 LYS CA C 100 56.334 56.334 55.541 0.793 25240 7432 1 9 . 1 1 100 100 LYS CB C 100 32.527 32.527 31.876 0.651 25240 7433 1 9 . 1 1 100 100 LYS H H 100 8.271 8.271 8.195 0.076 25240 7434 1 9 . 1 1 101 101 VAL N N 101 123.351 123.351 125.729 -2.378 25240 7435 1 9 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.782 -0.385 25240 7436 1 9 . 1 1 101 101 VAL C C 101 177.584 177.584 177.520 0.064 25240 7437 1 9 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.702 1.277 25240 7438 1 9 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.826 -0.330 25240 7439 1 9 . 1 1 101 101 VAL H H 101 8.518 8.518 8.750 -0.232 25240 7440 1 9 . 1 1 102 102 LYS N N 102 118.249 118.249 121.151 -2.902 25240 7441 1 9 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.191 -0.260 25240 7442 1 9 . 1 1 102 102 LYS C C 102 179.540 179.540 178.459 1.081 25240 7443 1 9 . 1 1 102 102 LYS CA C 102 59.882 59.882 59.002 0.880 25240 7444 1 9 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.630 0.668 25240 7445 1 9 . 1 1 102 102 LYS H H 102 8.558 8.558 8.258 0.300 25240 7446 1 9 . 1 1 103 103 LYS N N 103 118.668 118.668 119.574 -0.906 25240 7447 1 9 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.039 0.079 25240 7448 1 9 . 1 1 103 103 LYS C C 103 177.921 177.921 178.804 -0.883 25240 7449 1 9 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.770 -1.376 25240 7450 1 9 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.029 -0.189 25240 7451 1 9 . 1 1 103 103 LYS H H 103 6.854 6.854 8.321 -1.467 25240 7452 1 9 . 1 1 104 104 LYS N N 104 119.199 119.199 119.791 -0.592 25240 7453 1 9 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.249 -0.355 25240 7454 1 9 . 1 1 104 104 LYS C C 104 180.011 180.011 178.622 1.389 25240 7455 1 9 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.742 1.942 25240 7456 1 9 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.901 -0.176 25240 7457 1 9 . 1 1 104 104 LYS H H 104 8.048 8.048 8.403 -0.355 25240 7458 1 9 . 1 1 105 105 MET N N 105 118.021 118.021 119.387 -1.366 25240 7459 1 9 . 1 1 105 105 MET HA H 105 4.121 4.121 4.218 -0.097 25240 7460 1 9 . 1 1 105 105 MET C C 105 178.899 178.899 178.134 0.765 25240 7461 1 9 . 1 1 105 105 MET CA C 105 58.509 58.509 58.297 0.212 25240 7462 1 9 . 1 1 105 105 MET CB C 105 32.069 32.069 32.273 -0.204 25240 7463 1 9 . 1 1 105 105 MET H H 105 8.546 8.546 7.712 0.834 25240 7464 1 9 . 1 1 106 106 LEU N N 106 122.895 122.895 115.469 7.426 25240 7465 1 9 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.176 -0.140 25240 7466 1 9 . 1 1 106 106 LEU C C 106 179.910 179.910 178.937 0.973 25240 7467 1 9 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.693 0.472 25240 7468 1 9 . 1 1 106 106 LEU CB C 106 41.912 41.912 40.200 1.712 25240 7469 1 9 . 1 1 106 106 LEU H H 106 7.674 7.674 7.970 -0.296 25240 7470 1 9 . 1 1 107 107 TYR N N 107 119.036 119.036 121.479 -2.443 25240 7471 1 9 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.392 -0.358 25240 7472 1 9 . 1 1 107 107 TYR C C 107 181.360 181.360 177.645 3.715 25240 7473 1 9 . 1 1 107 107 TYR CA C 107 60.912 60.912 59.780 1.132 25240 7474 1 9 . 1 1 107 107 TYR CB C 107 37.677 37.677 38.000 -0.323 25240 7475 1 9 . 1 1 107 107 TYR H H 107 8.669 8.669 8.202 0.467 25240 7476 1 9 . 1 1 108 108 SER N N 108 118.372 118.372 112.423 5.949 25240 7477 1 9 . 1 1 108 108 SER HA H 108 4.324 4.324 3.758 0.566 25240 7478 1 9 . 1 1 108 108 SER C C 108 178.023 178.023 175.731 2.292 25240 7479 1 9 . 1 1 108 108 SER CA C 108 62.286 62.286 60.501 1.785 25240 7480 1 9 . 1 1 108 108 SER CB C 108 63.545 63.545 62.737 0.808 25240 7481 1 9 . 1 1 108 108 SER H H 108 8.973 8.973 8.099 0.874 25240 7482 1 9 . 1 1 109 109 SER N N 109 116.727 116.727 115.885 0.842 25240 7483 1 9 . 1 1 109 109 SER HA H 109 4.292 4.292 4.385 -0.093 25240 7484 1 9 . 1 1 109 109 SER C C 109 176.405 176.405 175.802 0.603 25240 7485 1 9 . 1 1 109 109 SER CA C 109 61.370 61.370 60.801 0.569 25240 7486 1 9 . 1 1 109 109 SER CB C 109 63.202 63.202 63.711 -0.509 25240 7487 1 9 . 1 1 109 109 SER H H 109 8.353 8.353 7.522 0.831 25240 7488 1 9 . 1 1 110 110 SER N N 110 115.229 115.229 117.805 -2.576 25240 7489 1 9 . 1 1 110 110 SER HA H 110 4.549 4.549 4.186 0.363 25240 7490 1 9 . 1 1 110 110 SER C C 110 172.899 172.899 175.843 -2.944 25240 7491 1 9 . 1 1 110 110 SER CA C 110 59.424 59.424 60.599 -1.175 25240 7492 1 9 . 1 1 110 110 SER CB C 110 62.973 62.973 63.046 -0.073 25240 7493 1 9 . 1 1 110 110 SER H H 110 7.236 7.236 7.523 -0.287 25240 7494 1 9 . 1 1 111 111 PHE N N 111 120.978 120.978 122.907 -1.929 25240 7495 1 9 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.644 0.371 25240 7496 1 9 . 1 1 111 111 PHE C C 111 177.483 177.483 176.826 0.657 25240 7497 1 9 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.849 -4.141 25240 7498 1 9 . 1 1 111 111 PHE CB C 111 38.364 38.364 38.821 -0.457 25240 7499 1 9 . 1 1 111 111 PHE H H 111 7.069 7.069 7.926 -0.857 25240 7500 1 9 . 1 1 112 112 ASP N N 112 116.485 116.485 117.522 -1.037 25240 7501 1 9 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.142 -0.389 25240 7502 1 9 . 1 1 112 112 ASP C C 112 177.281 177.281 177.112 0.169 25240 7503 1 9 . 1 1 112 112 ASP CA C 112 57.479 57.479 55.712 1.767 25240 7504 1 9 . 1 1 112 112 ASP CB C 112 40.424 40.424 40.672 -0.249 25240 7505 1 9 . 1 1 112 112 ASP H H 112 8.305 8.305 8.304 0.001 25240 7506 1 9 . 1 1 113 113 ALA N N 113 121.059 121.059 122.207 -1.148 25240 7507 1 9 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.979 -0.226 25240 7508 1 9 . 1 1 113 113 ALA C C 113 180.416 180.416 179.009 1.407 25240 7509 1 9 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.673 0.173 25240 7510 1 9 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.575 -1.500 25240 7511 1 9 . 1 1 113 113 ALA H H 113 7.393 7.393 7.199 0.194 25240 7512 1 9 . 1 1 114 114 LEU N N 114 118.535 118.535 114.017 4.518 25240 7513 1 9 . 1 1 114 114 LEU HA H 114 3.632 3.632 4.075 -0.443 25240 7514 1 9 . 1 1 114 114 LEU C C 114 178.191 178.191 177.816 0.375 25240 7515 1 9 . 1 1 114 114 LEU CA C 114 56.906 56.906 56.654 0.252 25240 7516 1 9 . 1 1 114 114 LEU CB C 114 41.340 41.340 41.242 0.098 25240 7517 1 9 . 1 1 114 114 LEU H H 114 6.647 6.647 7.615 -0.968 25240 7518 1 9 . 1 1 115 115 LYS N N 115 117.340 117.340 118.271 -0.931 25240 7519 1 9 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.716 -0.487 25240 7520 1 9 . 1 1 115 115 LYS C C 115 179.877 179.877 177.425 2.452 25240 7521 1 9 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.070 0.354 25240 7522 1 9 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.656 0.298 25240 7523 1 9 . 1 1 115 115 LYS H H 115 7.730 7.730 7.642 0.088 25240 7524 1 9 . 1 1 116 116 LYS N N 116 116.144 116.144 116.719 -0.575 25240 7525 1 9 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.020 -0.320 25240 7526 1 9 . 1 1 116 116 LYS C C 116 177.652 177.652 177.237 0.415 25240 7527 1 9 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.097 0.297 25240 7528 1 9 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.180 0.347 25240 7529 1 9 . 1 1 116 116 LYS H H 116 7.714 7.714 7.230 0.484 25240 7530 1 9 . 1 1 117 117 SER N N 117 111.789 111.789 114.669 -2.880 25240 7531 1 9 . 1 1 117 117 SER HA H 117 4.179 4.179 4.279 -0.100 25240 7532 1 9 . 1 1 117 117 SER C C 117 174.483 174.483 175.284 -0.801 25240 7533 1 9 . 1 1 117 117 SER CA C 117 60.912 60.912 59.798 1.114 25240 7534 1 9 . 1 1 117 117 SER CB C 117 64.232 64.232 64.533 -0.301 25240 7535 1 9 . 1 1 117 117 SER H H 117 6.957 6.957 7.538 -0.581 25240 7536 1 9 . 1 1 118 118 LEU N N 118 122.293 122.293 120.667 1.626 25240 7537 1 9 . 1 1 118 118 LEU HA H 118 3.922 3.922 3.860 0.062 25240 7538 1 9 . 1 1 118 118 LEU C C 118 175.730 175.730 175.397 0.333 25240 7539 1 9 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.807 -1.593 25240 7540 1 9 . 1 1 118 118 LEU CB C 118 37.448 37.448 39.701 -2.253 25240 7541 1 9 . 1 1 118 118 LEU H H 118 6.997 6.997 8.171 -1.174 25240 7542 1 9 . 1 1 119 119 VAL N N 119 121.059 121.059 121.919 -0.860 25240 7543 1 9 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.822 -0.195 25240 7544 1 9 . 1 1 119 119 VAL C C 119 178.697 178.697 176.948 1.749 25240 7545 1 9 . 1 1 119 119 VAL CA C 119 64.919 64.919 63.862 1.057 25240 7546 1 9 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.443 -1.060 25240 7547 1 9 . 1 1 119 119 VAL H H 119 7.347 7.347 7.539 -0.192 25240 7548 1 9 . 1 1 120 120 GLY N N 120 117.377 117.377 116.854 0.523 25240 7549 1 9 . 1 1 120 120 GLY C C 120 174.517 174.517 173.765 0.752 25240 7550 1 9 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.645 0.243 25240 7551 1 9 . 1 1 120 120 GLY H H 120 9.077 9.077 8.608 0.469 25240 7552 1 9 . 1 1 121 121 VAL N N 121 122.254 122.254 121.712 0.542 25240 7553 1 9 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.918 -0.156 25240 7554 1 9 . 1 1 121 121 VAL C C 121 175.966 175.966 176.265 -0.299 25240 7555 1 9 . 1 1 121 121 VAL CA C 121 64.117 64.117 64.282 -0.165 25240 7556 1 9 . 1 1 121 121 VAL CB C 121 31.611 31.611 31.723 -0.112 25240 7557 1 9 . 1 1 121 121 VAL H H 121 7.316 7.316 7.487 -0.171 25240 7558 1 9 . 1 1 122 122 GLN N N 122 123.484 123.484 125.691 -2.207 25240 7559 1 9 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.527 -0.274 25240 7560 1 9 . 1 1 122 122 GLN C C 122 174.854 174.854 175.602 -0.748 25240 7561 1 9 . 1 1 122 122 GLN CA C 122 56.105 56.105 55.330 0.775 25240 7562 1 9 . 1 1 122 122 GLN CB C 122 31.039 31.039 30.359 0.680 25240 7563 1 9 . 1 1 122 122 GLN H H 122 8.678 8.678 9.024 -0.346 25240 7564 1 9 . 1 1 123 123 LYS N N 123 117.871 117.871 118.819 -0.948 25240 7565 1 9 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.526 -0.216 25240 7566 1 9 . 1 1 123 123 LYS C C 123 173.000 173.000 173.857 -0.857 25240 7567 1 9 . 1 1 123 123 LYS CA C 123 53.358 53.358 56.481 -3.123 25240 7568 1 9 . 1 1 123 123 LYS CB C 123 34.816 34.816 34.433 0.383 25240 7569 1 9 . 1 1 123 123 LYS H H 123 6.726 6.726 7.428 -0.702 25240 7570 1 9 . 1 1 124 124 TYR N N 124 123.352 123.352 120.814 2.538 25240 7571 1 9 . 1 1 124 124 TYR HA H 124 5.899 5.899 6.005 -0.106 25240 7572 1 9 . 1 1 124 124 TYR C C 124 175.663 175.663 174.217 1.446 25240 7573 1 9 . 1 1 124 124 TYR CA C 124 54.846 54.846 54.788 0.058 25240 7574 1 9 . 1 1 124 124 TYR CB C 124 40.424 40.424 40.320 0.104 25240 7575 1 9 . 1 1 124 124 TYR H H 124 8.441 8.441 7.823 0.618 25240 7576 1 9 . 1 1 125 125 ILE N N 125 122.835 122.835 123.266 -0.431 25240 7577 1 9 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.658 -0.256 25240 7578 1 9 . 1 1 125 125 ILE C C 125 174.348 174.348 174.034 0.314 25240 7579 1 9 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.902 -0.020 25240 7580 1 9 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.225 0.031 25240 7581 1 9 . 1 1 125 125 ILE H H 125 9.123 9.123 9.396 -0.273 25240 7582 1 9 . 1 1 126 126 GLN N N 126 126.869 126.869 126.061 0.808 25240 7583 1 9 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.797 0.080 25240 7584 1 9 . 1 1 126 126 GLN C C 126 174.146 174.146 174.004 0.142 25240 7585 1 9 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.897 -0.822 25240 7586 1 9 . 1 1 126 126 GLN CB C 126 29.551 29.551 30.473 -0.922 25240 7587 1 9 . 1 1 126 126 GLN H H 126 8.916 8.916 8.748 0.168 25240 7588 1 9 . 1 1 127 127 ALA N N 127 127.414 127.414 128.397 -0.983 25240 7589 1 9 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.962 0.001 25240 7590 1 9 . 1 1 127 127 ALA C C 127 176.539 176.539 177.468 -0.929 25240 7591 1 9 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.784 0.170 25240 7592 1 9 . 1 1 127 127 ALA CB C 127 21.882 21.882 21.301 0.581 25240 7593 1 9 . 1 1 127 127 ALA H H 127 8.829 8.829 9.203 -0.374 25240 7594 1 9 . 1 1 128 128 THR N N 128 112.753 112.753 116.775 -4.022 25240 7595 1 9 . 1 1 128 128 THR HA H 128 3.994 3.994 4.590 -0.596 25240 7596 1 9 . 1 1 128 128 THR C C 128 172.933 172.933 174.298 -1.365 25240 7597 1 9 . 1 1 128 128 THR CA C 128 60.912 60.912 63.470 -2.558 25240 7598 1 9 . 1 1 128 128 THR CB C 128 70.527 70.527 69.323 1.204 25240 7599 1 9 . 1 1 128 128 THR H H 128 9.350 9.350 8.873 0.477 25240 7600 1 9 . 1 1 129 129 ASP N N 129 118.551 118.551 117.453 1.098 25240 7601 1 9 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.417 0.161 25240 7602 1 9 . 1 1 129 129 ASP C C 129 176.573 176.573 176.486 0.087 25240 7603 1 9 . 1 1 129 129 ASP CA C 129 53.015 53.015 53.009 0.006 25240 7604 1 9 . 1 1 129 129 ASP CB C 129 43.744 43.744 41.965 1.779 25240 7605 1 9 . 1 1 129 129 ASP H H 129 7.602 7.602 7.623 -0.021 25240 7606 1 9 . 1 1 130 130 LEU N N 130 122.387 122.387 120.992 1.395 25240 7607 1 9 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.503 -0.526 25240 7608 1 9 . 1 1 130 130 LEU C C 130 179.202 179.202 178.467 0.735 25240 7609 1 9 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.423 0.628 25240 7610 1 9 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.205 -0.636 25240 7611 1 9 . 1 1 130 130 LEU H H 130 8.910 8.910 8.624 0.286 25240 7612 1 9 . 1 1 131 131 SER N N 131 116.410 116.410 114.915 1.495 25240 7613 1 9 . 1 1 131 131 SER HA H 131 3.856 3.856 4.283 -0.427 25240 7614 1 9 . 1 1 131 131 SER C C 131 177.180 177.180 176.539 0.641 25240 7615 1 9 . 1 1 131 131 SER CA C 131 62.515 62.515 61.656 0.859 25240 7616 1 9 . 1 1 131 131 SER CB C 131 68.352 68.352 63.014 5.338 25240 7617 1 9 . 1 1 131 131 SER H H 131 8.645 8.645 8.898 -0.253 25240 7618 1 9 . 1 1 132 132 GLU N N 132 120.840 120.840 119.267 1.573 25240 7619 1 9 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.405 -0.335 25240 7620 1 9 . 1 1 132 132 GLU C C 132 175.427 175.427 176.218 -0.791 25240 7621 1 9 . 1 1 132 132 GLU CA C 132 57.021 57.021 56.585 0.436 25240 7622 1 9 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.495 1.544 25240 7623 1 9 . 1 1 132 132 GLU H H 132 7.749 7.749 7.955 -0.206 25240 7624 1 9 . 1 1 133 133 ALA N N 133 117.182 117.182 119.691 -2.509 25240 7625 1 9 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.714 -0.363 25240 7626 1 9 . 1 1 133 133 ALA C C 133 175.730 175.730 176.752 -1.022 25240 7627 1 9 . 1 1 133 133 ALA CA C 133 50.382 50.382 50.826 -0.444 25240 7628 1 9 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.605 0.674 25240 7629 1 9 . 1 1 133 133 ALA H H 133 7.347 7.347 7.449 -0.102 25240 7630 1 9 . 1 1 134 134 SER N N 134 115.197 115.197 114.642 0.555 25240 7631 1 9 . 1 1 134 134 SER HA H 134 4.185 4.185 4.308 -0.123 25240 7632 1 9 . 1 1 134 134 SER C C 134 173.067 173.067 176.104 -3.037 25240 7633 1 9 . 1 1 134 134 SER CA C 134 58.509 58.509 57.481 1.028 25240 7634 1 9 . 1 1 134 134 SER CB C 134 64.690 64.690 64.080 0.610 25240 7635 1 9 . 1 1 134 134 SER H H 134 7.061 7.061 7.519 -0.458 25240 7636 1 9 . 1 1 135 135 ARG N N 135 122.190 122.190 126.802 -4.612 25240 7637 1 9 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.990 0.195 25240 7638 1 9 . 1 1 135 135 ARG C C 135 177.888 177.888 177.327 0.561 25240 7639 1 9 . 1 1 135 135 ARG CA C 135 60.111 60.111 58.808 1.303 25240 7640 1 9 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.696 -0.145 25240 7641 1 9 . 1 1 135 135 ARG H H 135 8.961 8.961 8.903 0.058 25240 7642 1 9 . 1 1 136 136 GLU N N 136 115.480 115.480 119.042 -3.562 25240 7643 1 9 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.082 -0.287 25240 7644 1 9 . 1 1 136 136 GLU C C 136 178.865 178.865 177.365 1.500 25240 7645 1 9 . 1 1 136 136 GLU CA C 136 59.997 59.997 58.142 1.855 25240 7646 1 9 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.730 -0.981 25240 7647 1 9 . 1 1 136 136 GLU H H 136 8.588 8.588 7.614 0.974 25240 7648 1 9 . 1 1 137 137 ALA N N 137 123.947 123.947 121.076 2.871 25240 7649 1 9 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.283 -0.361 25240 7650 1 9 . 1 1 137 137 ALA C C 137 181.191 181.191 179.096 2.095 25240 7651 1 9 . 1 1 137 137 ALA CA C 137 54.846 54.846 53.926 0.920 25240 7652 1 9 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.990 -0.656 25240 7653 1 9 . 1 1 137 137 ALA H H 137 7.578 7.578 7.496 0.082 25240 7654 1 9 . 1 1 138 138 VAL N N 138 119.326 119.326 118.375 0.951 25240 7655 1 9 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.582 0.323 25240 7656 1 9 . 1 1 138 138 VAL C C 138 177.584 177.584 177.381 0.203 25240 7657 1 9 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.164 0.471 25240 7658 1 9 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.906 -0.867 25240 7659 1 9 . 1 1 138 138 VAL H H 138 8.108 8.108 7.693 0.415 25240 7660 1 9 . 1 1 139 139 GLU N N 139 119.418 119.418 119.195 0.223 25240 7661 1 9 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.676 0.395 25240 7662 1 9 . 1 1 139 139 GLU C C 139 178.157 178.157 178.234 -0.077 25240 7663 1 9 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.163 1.406 25240 7664 1 9 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.578 0.515 25240 7665 1 9 . 1 1 139 139 GLU H H 139 8.248 8.248 7.968 0.280 25240 7666 1 9 . 1 1 140 140 GLU N N 140 116.410 116.410 118.511 -2.101 25240 7667 1 9 . 1 1 140 140 GLU HA H 140 3.731 3.731 4.095 -0.364 25240 7668 1 9 . 1 1 140 140 GLU C C 140 179.202 179.202 178.692 0.510 25240 7669 1 9 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.579 0.845 25240 7670 1 9 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.045 0.048 25240 7671 1 9 . 1 1 140 140 GLU H H 140 7.305 7.305 8.231 -0.926 25240 7672 1 9 . 1 1 141 141 LYS N N 141 118.210 118.210 118.703 -0.493 25240 7673 1 9 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.160 -0.230 25240 7674 1 9 . 1 1 141 141 LYS C C 141 179.607 179.607 178.783 0.824 25240 7675 1 9 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.447 -0.053 25240 7676 1 9 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.671 -0.488 25240 7677 1 9 . 1 1 141 141 LYS H H 141 7.292 7.292 7.558 -0.266 25240 7678 1 9 . 1 1 142 142 LEU N N 142 119.472 119.472 116.960 2.512 25240 7679 1 9 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.439 -0.759 25240 7680 1 9 . 1 1 142 142 LEU C C 142 178.663 178.663 178.828 -0.165 25240 7681 1 9 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.553 -0.189 25240 7682 1 9 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.523 -1.099 25240 7683 1 9 . 1 1 142 142 LEU H H 142 8.112 8.112 7.511 0.601 25240 7684 1 9 . 1 1 143 143 ARG N N 143 117.384 117.384 118.438 -1.054 25240 7685 1 9 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.319 -0.359 25240 7686 1 9 . 1 1 143 143 ARG C C 143 177.989 177.989 177.269 0.720 25240 7687 1 9 . 1 1 143 143 ARG CA C 143 58.051 58.051 57.576 0.475 25240 7688 1 9 . 1 1 143 143 ARG CB C 143 30.695 30.695 28.774 1.921 25240 7689 1 9 . 1 1 143 143 ARG H H 143 7.832 7.832 8.399 -0.567 25240 7690 1 9 . 1 1 144 144 ALA N N 144 121.192 121.192 121.162 0.030 25240 7691 1 9 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.229 -0.148 25240 7692 1 9 . 1 1 144 144 ALA C C 144 178.697 178.697 178.687 0.010 25240 7693 1 9 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.910 0.020 25240 7694 1 9 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.967 -0.176 25240 7695 1 9 . 1 1 144 144 ALA H H 144 7.284 7.284 7.663 -0.379 25240 7696 1 9 . 1 1 145 145 THR N N 145 109.503 109.503 109.551 -0.048 25240 7697 1 9 . 1 1 145 145 THR HA H 145 4.270 4.270 4.513 -0.243 25240 7698 1 9 . 1 1 145 145 THR C C 145 174.787 174.787 175.189 -0.402 25240 7699 1 9 . 1 1 145 145 THR CA C 145 61.828 61.828 62.990 -1.162 25240 7700 1 9 . 1 1 145 145 THR CB C 145 68.925 68.925 69.917 -0.992 25240 7701 1 9 . 1 1 145 145 THR H H 145 7.690 7.690 7.724 -0.034 25240 7702 1 9 . 1 1 146 146 ASP N N 146 122.786 122.786 124.372 -1.586 25240 7703 1 9 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.623 -0.079 25240 7704 1 9 . 1 1 146 146 ASP C C 146 176.000 176.000 175.789 0.211 25240 7705 1 9 . 1 1 146 146 ASP CA C 146 54.732 54.732 55.699 -0.967 25240 7706 1 9 . 1 1 146 146 ASP CB C 146 41.111 41.111 41.813 -0.702 25240 7707 1 9 . 1 1 146 146 ASP H H 146 7.873 7.873 7.836 0.037 25240 7708 1 9 . 1 1 147 147 ARG N N 147 120.926 120.926 122.503 -1.577 25240 7709 1 9 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.670 -0.400 25240 7710 1 9 . 1 1 147 147 ARG C C 147 175.427 175.427 175.371 0.056 25240 7711 1 9 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.433 0.672 25240 7712 1 9 . 1 1 147 147 ARG CB C 147 30.695 30.695 31.850 -1.155 25240 7713 1 9 . 1 1 147 147 ARG H H 147 8.048 8.048 8.179 -0.131 25240 7714 1 10 . 1 1 2 2 ALA N N 2 126.020 126.020 124.274 1.746 25240 7715 1 10 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.708 -0.501 25240 7716 1 10 . 1 1 2 2 ALA C C 2 177.605 177.605 175.422 2.183 25240 7717 1 10 . 1 1 2 2 ALA CA C 2 52.442 52.442 51.132 1.310 25240 7718 1 10 . 1 1 2 2 ALA CB C 2 19.135 19.135 20.974 -1.839 25240 7719 1 10 . 1 1 2 2 ALA H H 2 8.306 8.306 8.219 0.087 25240 7720 1 10 . 1 1 3 3 SER N N 3 115.214 115.214 116.595 -1.381 25240 7721 1 10 . 1 1 3 3 SER HA H 3 4.282 4.282 4.133 0.149 25240 7722 1 10 . 1 1 3 3 SER C C 3 174.965 174.965 175.463 -0.498 25240 7723 1 10 . 1 1 3 3 SER CA C 3 58.165 58.165 59.619 -1.454 25240 7724 1 10 . 1 1 3 3 SER CB C 3 64.003 64.003 63.177 0.826 25240 7725 1 10 . 1 1 3 3 SER H H 3 8.183 8.183 8.273 -0.090 25240 7726 1 10 . 1 1 4 4 GLY N N 4 110.858 110.858 113.140 -2.282 25240 7727 1 10 . 1 1 4 4 GLY C C 4 173.716 173.716 172.874 0.842 25240 7728 1 10 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.791 0.211 25240 7729 1 10 . 1 1 4 4 GLY H H 4 8.279 8.279 8.670 -0.391 25240 7730 1 10 . 1 1 5 5 VAL N N 5 119.961 119.961 121.996 -2.035 25240 7731 1 10 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.299 -0.171 25240 7732 1 10 . 1 1 5 5 VAL C C 5 176.275 176.275 175.386 0.889 25240 7733 1 10 . 1 1 5 5 VAL CA C 5 62.172 62.172 61.113 1.059 25240 7734 1 10 . 1 1 5 5 VAL CB C 5 32.641 32.641 34.372 -1.731 25240 7735 1 10 . 1 1 5 5 VAL H H 5 7.672 7.672 7.807 -0.135 25240 7736 1 10 . 1 1 6 6 THR N N 6 115.480 115.480 122.275 -6.795 25240 7737 1 10 . 1 1 6 6 THR HA H 6 4.487 4.487 4.608 -0.121 25240 7738 1 10 . 1 1 6 6 THR C C 6 173.252 173.252 173.008 0.244 25240 7739 1 10 . 1 1 6 6 THR CA C 6 59.882 59.882 61.728 -1.846 25240 7740 1 10 . 1 1 6 6 THR CB C 6 71.328 71.328 70.116 1.212 25240 7741 1 10 . 1 1 6 6 THR H H 6 7.756 7.756 8.403 -0.647 25240 7742 1 10 . 1 1 7 7 VAL N N 7 120.262 120.262 123.828 -3.566 25240 7743 1 10 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.274 -0.195 25240 7744 1 10 . 1 1 7 7 VAL C C 7 176.215 176.215 175.356 0.859 25240 7745 1 10 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.321 0.736 25240 7746 1 10 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.541 1.016 25240 7747 1 10 . 1 1 7 7 VAL H H 7 8.447 8.447 8.311 0.136 25240 7748 1 10 . 1 1 8 8 SER N N 8 124.247 124.247 121.663 2.584 25240 7749 1 10 . 1 1 8 8 SER HA H 8 4.271 4.271 4.454 -0.183 25240 7750 1 10 . 1 1 8 8 SER C C 8 175.892 175.892 175.526 0.366 25240 7751 1 10 . 1 1 8 8 SER CA C 8 58.738 58.738 58.554 0.184 25240 7752 1 10 . 1 1 8 8 SER CB C 8 64.003 64.003 64.467 -0.464 25240 7753 1 10 . 1 1 8 8 SER H H 8 8.816 8.816 8.252 0.564 25240 7754 1 10 . 1 1 9 9 ASP N N 9 125.176 125.176 124.748 0.428 25240 7755 1 10 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.401 -0.092 25240 7756 1 10 . 1 1 9 9 ASP C C 9 178.492 178.492 177.905 0.587 25240 7757 1 10 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.545 1.392 25240 7758 1 10 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.640 -0.445 25240 7759 1 10 . 1 1 9 9 ASP H H 9 9.033 9.033 8.953 0.080 25240 7760 1 10 . 1 1 10 10 VAL N N 10 117.738 117.738 119.382 -1.644 25240 7761 1 10 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.588 0.506 25240 7762 1 10 . 1 1 10 10 VAL C C 10 179.439 179.439 177.500 1.939 25240 7763 1 10 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.711 -1.136 25240 7764 1 10 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.511 -0.015 25240 7765 1 10 . 1 1 10 10 VAL H H 10 8.078 8.078 7.957 0.121 25240 7766 1 10 . 1 1 11 11 CYS N N 11 121.775 121.775 118.311 3.464 25240 7767 1 10 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.221 -0.307 25240 7768 1 10 . 1 1 11 11 CYS C C 11 176.094 176.094 176.625 -0.531 25240 7769 1 10 . 1 1 11 11 CYS CA C 11 63.774 63.774 63.548 0.225 25240 7770 1 10 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.206 -0.174 25240 7771 1 10 . 1 1 11 11 CYS H H 11 7.922 7.922 7.987 -0.065 25240 7772 1 10 . 1 1 12 12 LYS N N 12 117.392 117.392 120.516 -3.124 25240 7773 1 10 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.030 -0.116 25240 7774 1 10 . 1 1 12 12 LYS C C 12 179.097 179.097 178.509 0.588 25240 7775 1 10 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.105 -0.337 25240 7776 1 10 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.295 -0.341 25240 7777 1 10 . 1 1 12 12 LYS H H 12 7.010 7.010 7.757 -0.747 25240 7778 1 10 . 1 1 13 13 THR N N 13 114.683 114.683 114.638 0.045 25240 7779 1 10 . 1 1 13 13 THR HA H 13 3.951 3.951 4.102 -0.151 25240 7780 1 10 . 1 1 13 13 THR C C 13 177.424 177.424 176.670 0.754 25240 7781 1 10 . 1 1 13 13 THR CA C 13 66.063 66.063 66.736 -0.673 25240 7782 1 10 . 1 1 13 13 THR CB C 13 67.666 67.666 68.503 -0.837 25240 7783 1 10 . 1 1 13 13 THR H H 13 8.309 8.309 8.313 -0.004 25240 7784 1 10 . 1 1 14 14 THR N N 14 118.012 118.012 119.326 -1.314 25240 7785 1 10 . 1 1 14 14 THR HA H 14 4.015 4.015 4.043 -0.028 25240 7786 1 10 . 1 1 14 14 THR C C 14 176.316 176.316 175.602 0.714 25240 7787 1 10 . 1 1 14 14 THR CA C 14 67.208 67.208 66.492 0.716 25240 7788 1 10 . 1 1 14 14 THR CB C 14 62.515 62.515 68.934 -6.419 25240 7789 1 10 . 1 1 14 14 THR H H 14 8.138 8.138 7.438 0.700 25240 7790 1 10 . 1 1 15 15 TYR N N 15 120.840 120.840 123.043 -2.203 25240 7791 1 10 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.084 0.053 25240 7792 1 10 . 1 1 15 15 TYR C C 15 177.081 177.081 177.274 -0.193 25240 7793 1 10 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.651 -0.967 25240 7794 1 10 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.378 -0.014 25240 7795 1 10 . 1 1 15 15 TYR H H 15 7.740 7.740 8.470 -0.730 25240 7796 1 10 . 1 1 16 16 GLU N N 16 120.605 120.605 118.603 2.002 25240 7797 1 10 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.918 -0.383 25240 7798 1 10 . 1 1 16 16 GLU C C 16 178.673 178.673 179.036 -0.363 25240 7799 1 10 . 1 1 16 16 GLU CA C 16 59.997 59.997 60.075 -0.078 25240 7800 1 10 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.240 -0.491 25240 7801 1 10 . 1 1 16 16 GLU H H 16 8.182 8.182 8.334 -0.152 25240 7802 1 10 . 1 1 17 17 GLU N N 17 117.384 117.384 119.178 -1.794 25240 7803 1 10 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.121 0.000 25240 7804 1 10 . 1 1 17 17 GLU C C 17 179.399 179.399 179.184 0.215 25240 7805 1 10 . 1 1 17 17 GLU CA C 17 58.852 58.852 59.308 -0.456 25240 7806 1 10 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.464 -0.028 25240 7807 1 10 . 1 1 17 17 GLU H H 17 7.839 7.839 7.514 0.325 25240 7808 1 10 . 1 1 18 18 ILE N N 18 118.004 118.004 119.020 -1.016 25240 7809 1 10 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.889 -0.356 25240 7810 1 10 . 1 1 18 18 ILE C C 18 177.081 177.081 176.644 0.437 25240 7811 1 10 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.781 2.511 25240 7812 1 10 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.057 0.421 25240 7813 1 10 . 1 1 18 18 ILE H H 18 7.558 7.558 7.832 -0.274 25240 7814 1 10 . 1 1 19 19 LYS N N 19 121.213 121.213 116.793 4.420 25240 7815 1 10 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.089 -0.440 25240 7816 1 10 . 1 1 19 19 LYS C C 19 176.719 176.719 177.245 -0.526 25240 7817 1 10 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.064 1.017 25240 7818 1 10 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.221 0.992 25240 7819 1 10 . 1 1 19 19 LYS H H 19 8.387 8.387 7.640 0.747 25240 7820 1 10 . 1 1 20 20 LYS N N 20 115.307 115.307 118.889 -3.582 25240 7821 1 10 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.246 -0.125 25240 7822 1 10 . 1 1 20 20 LYS C C 20 178.008 178.008 178.128 -0.120 25240 7823 1 10 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.946 -0.009 25240 7824 1 10 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.543 -0.788 25240 7825 1 10 . 1 1 20 20 LYS H H 20 8.608 8.608 7.471 1.137 25240 7826 1 10 . 1 1 21 21 ASP N N 21 113.556 113.556 117.735 -4.179 25240 7827 1 10 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.650 -0.029 25240 7828 1 10 . 1 1 21 21 ASP C C 21 175.147 175.147 175.460 -0.313 25240 7829 1 10 . 1 1 21 21 ASP CA C 21 54.732 54.732 54.023 0.709 25240 7830 1 10 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.882 0.831 25240 7831 1 10 . 1 1 21 21 ASP H H 21 6.395 6.395 8.035 -1.640 25240 7832 1 10 . 1 1 22 22 LYS N N 22 116.543 116.543 114.389 2.154 25240 7833 1 10 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.898 -0.117 25240 7834 1 10 . 1 1 22 22 LYS C C 22 176.900 176.900 176.745 0.155 25240 7835 1 10 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.640 -0.276 25240 7836 1 10 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.111 -1.247 25240 7837 1 10 . 1 1 22 22 LYS H H 22 7.402 7.402 8.188 -0.786 25240 7838 1 10 . 1 1 23 23 LYS N N 23 114.417 114.417 117.644 -3.227 25240 7839 1 10 . 1 1 23 23 LYS HA H 23 3.554 3.554 3.969 -0.415 25240 7840 1 10 . 1 1 23 23 LYS C C 23 175.106 175.106 177.518 -2.412 25240 7841 1 10 . 1 1 23 23 LYS CA C 23 58.623 58.623 57.615 1.008 25240 7842 1 10 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.249 1.766 25240 7843 1 10 . 1 1 23 23 LYS H H 23 7.512 7.512 7.593 -0.081 25240 7844 1 10 . 1 1 24 24 HIS N N 24 108.361 108.361 116.567 -8.206 25240 7845 1 10 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.406 -0.618 25240 7846 1 10 . 1 1 24 24 HIS C C 24 175.308 175.308 175.612 -0.304 25240 7847 1 10 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.914 -4.616 25240 7848 1 10 . 1 1 24 24 HIS CB C 24 32.412 32.412 27.590 4.822 25240 7849 1 10 . 1 1 24 24 HIS H H 24 6.099 6.099 8.034 -1.935 25240 7850 1 10 . 1 1 25 25 ARG N N 25 120.707 120.707 122.618 -1.911 25240 7851 1 10 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.123 -0.015 25240 7852 1 10 . 1 1 25 25 ARG C C 25 173.091 173.091 175.150 -2.059 25240 7853 1 10 . 1 1 25 25 ARG CA C 25 55.189 55.189 59.076 -3.887 25240 7854 1 10 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.629 -1.048 25240 7855 1 10 . 1 1 25 25 ARG H H 25 8.066 8.066 7.671 0.395 25240 7856 1 10 . 1 1 26 26 TYR N N 26 106.634 106.634 110.943 -4.309 25240 7857 1 10 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.343 -0.277 25240 7858 1 10 . 1 1 26 26 TYR C C 26 172.224 172.224 173.362 -1.138 25240 7859 1 10 . 1 1 26 26 TYR CA C 26 54.732 54.732 54.986 -0.254 25240 7860 1 10 . 1 1 26 26 TYR CB C 26 41.111 41.111 39.854 1.257 25240 7861 1 10 . 1 1 26 26 TYR H H 26 6.515 6.515 6.919 -0.404 25240 7862 1 10 . 1 1 27 27 VAL N N 27 116.941 116.941 121.812 -4.871 25240 7863 1 10 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.131 0.632 25240 7864 1 10 . 1 1 27 27 VAL C C 27 173.514 173.514 174.200 -0.686 25240 7865 1 10 . 1 1 27 27 VAL CA C 27 59.310 59.310 60.599 -1.288 25240 7866 1 10 . 1 1 27 27 VAL CB C 27 36.189 36.189 33.694 2.495 25240 7867 1 10 . 1 1 27 27 VAL H H 27 8.843 8.843 8.873 -0.030 25240 7868 1 10 . 1 1 28 28 ILE N N 28 125.708 125.708 128.237 -2.529 25240 7869 1 10 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.916 0.125 25240 7870 1 10 . 1 1 28 28 ILE C C 28 175.590 175.590 175.005 0.585 25240 7871 1 10 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.798 -1.404 25240 7872 1 10 . 1 1 28 28 ILE CB C 28 38.135 38.135 38.157 -0.022 25240 7873 1 10 . 1 1 28 28 ILE H H 28 8.915 8.915 8.832 0.083 25240 7874 1 10 . 1 1 29 29 PHE N N 29 125.649 125.649 126.908 -1.259 25240 7875 1 10 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.046 0.814 25240 7876 1 10 . 1 1 29 29 PHE C C 29 173.958 173.958 175.483 -1.525 25240 7877 1 10 . 1 1 29 29 PHE CA C 29 55.991 55.991 57.186 -1.195 25240 7878 1 10 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.726 1.873 25240 7879 1 10 . 1 1 29 29 PHE H H 29 9.597 9.597 9.178 0.419 25240 7880 1 10 . 1 1 30 30 TYR N N 30 120.134 120.134 122.362 -2.228 25240 7881 1 10 . 1 1 30 30 TYR HA H 30 5.383 5.383 5.004 0.379 25240 7882 1 10 . 1 1 30 30 TYR C C 30 176.840 176.840 173.997 2.843 25240 7883 1 10 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.826 -2.323 25240 7884 1 10 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.376 -1.349 25240 7885 1 10 . 1 1 30 30 TYR H H 30 9.556 9.556 8.770 0.786 25240 7886 1 10 . 1 1 31 31 ILE N N 31 118.577 118.577 124.599 -6.022 25240 7887 1 10 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.442 -0.361 25240 7888 1 10 . 1 1 31 31 ILE C C 31 174.562 174.562 175.068 -0.506 25240 7889 1 10 . 1 1 31 31 ILE CA C 31 61.141 61.141 60.169 0.972 25240 7890 1 10 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.221 -1.116 25240 7891 1 10 . 1 1 31 31 ILE H H 31 8.475 8.475 8.234 0.241 25240 7892 1 10 . 1 1 32 32 ARG N N 32 132.544 132.544 131.074 1.470 25240 7893 1 10 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.401 -0.144 25240 7894 1 10 . 1 1 32 32 ARG C C 32 176.557 176.557 176.094 0.463 25240 7895 1 10 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.482 -2.178 25240 7896 1 10 . 1 1 32 32 ARG CB C 32 31.496 31.496 30.792 0.704 25240 7897 1 10 . 1 1 32 32 ARG H H 32 8.994 8.994 8.846 0.148 25240 7898 1 10 . 1 1 33 33 ASP N N 33 128.042 128.042 125.159 2.883 25240 7899 1 10 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.256 0.001 25240 7900 1 10 . 1 1 33 33 ASP C C 33 173.615 173.615 175.618 -2.003 25240 7901 1 10 . 1 1 33 33 ASP CA C 33 55.876 55.876 55.908 -0.033 25240 7902 1 10 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.428 -0.462 25240 7903 1 10 . 1 1 33 33 ASP H H 33 9.442 9.442 9.222 0.220 25240 7904 1 10 . 1 1 34 34 GLU N N 34 108.952 108.952 112.028 -3.076 25240 7905 1 10 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.902 0.631 25240 7906 1 10 . 1 1 34 34 GLU C C 34 174.844 174.844 175.189 -0.345 25240 7907 1 10 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.887 0.507 25240 7908 1 10 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.204 -0.599 25240 7909 1 10 . 1 1 34 34 GLU H H 34 8.532 8.532 8.005 0.527 25240 7910 1 10 . 1 1 35 35 LYS N N 35 114.285 114.285 111.595 2.690 25240 7911 1 10 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.544 -0.011 25240 7912 1 10 . 1 1 35 35 LYS C C 35 175.530 175.530 174.660 0.870 25240 7913 1 10 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.592 0.772 25240 7914 1 10 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.153 1.380 25240 7915 1 10 . 1 1 35 35 LYS H H 35 7.911 7.911 8.046 -0.135 25240 7916 1 10 . 1 1 36 36 GLN N N 36 118.851 118.851 117.352 1.499 25240 7917 1 10 . 1 1 36 36 GLN HA H 36 5.027 5.027 5.010 0.017 25240 7918 1 10 . 1 1 36 36 GLN C C 36 174.139 174.139 174.062 0.077 25240 7919 1 10 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.892 0.611 25240 7920 1 10 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.876 0.337 25240 7921 1 10 . 1 1 36 36 GLN H H 36 7.483 7.483 8.103 -0.620 25240 7922 1 10 . 1 1 37 37 ILE N N 37 127.682 127.682 119.235 8.447 25240 7923 1 10 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.206 0.089 25240 7924 1 10 . 1 1 37 37 ILE C C 37 173.333 173.333 174.914 -1.581 25240 7925 1 10 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.606 0.680 25240 7926 1 10 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.812 -0.791 25240 7927 1 10 . 1 1 37 37 ILE H H 37 9.208 9.208 8.865 0.343 25240 7928 1 10 . 1 1 38 38 ASP N N 38 128.702 128.702 124.270 4.432 25240 7929 1 10 . 1 1 38 38 ASP HA H 38 5.037 5.037 5.020 0.017 25240 7930 1 10 . 1 1 38 38 ASP C C 38 175.147 175.147 174.173 0.974 25240 7931 1 10 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.600 -0.730 25240 7932 1 10 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.329 0.589 25240 7933 1 10 . 1 1 38 38 ASP H H 38 9.380 9.380 8.343 1.037 25240 7934 1 10 . 1 1 39 39 VAL N N 39 122.387 122.387 121.085 1.302 25240 7935 1 10 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.347 -0.480 25240 7936 1 10 . 1 1 39 39 VAL C C 39 175.268 175.268 175.503 -0.235 25240 7937 1 10 . 1 1 39 39 VAL CA C 39 63.888 63.888 62.471 1.417 25240 7938 1 10 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.022 0.649 25240 7939 1 10 . 1 1 39 39 VAL H H 39 8.769 8.769 8.630 0.139 25240 7940 1 10 . 1 1 40 40 GLU N N 40 128.576 128.576 126.956 1.620 25240 7941 1 10 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.554 -0.287 25240 7942 1 10 . 1 1 40 40 GLU C C 40 175.711 175.711 176.108 -0.397 25240 7943 1 10 . 1 1 40 40 GLU CA C 40 57.708 57.708 55.986 1.722 25240 7944 1 10 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.443 1.312 25240 7945 1 10 . 1 1 40 40 GLU H H 40 9.512 9.512 8.766 0.746 25240 7946 1 10 . 1 1 41 41 THR N N 41 111.962 111.962 116.857 -4.895 25240 7947 1 10 . 1 1 41 41 THR HA H 41 4.423 4.423 4.574 -0.151 25240 7948 1 10 . 1 1 41 41 THR C C 41 171.559 171.559 172.008 -0.449 25240 7949 1 10 . 1 1 41 41 THR CA C 41 61.256 61.256 62.401 -1.145 25240 7950 1 10 . 1 1 41 41 THR CB C 41 71.901 71.901 71.295 0.606 25240 7951 1 10 . 1 1 41 41 THR H H 41 7.277 7.277 8.002 -0.725 25240 7952 1 10 . 1 1 42 42 VAL N N 42 123.660 123.660 125.496 -1.836 25240 7953 1 10 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.325 -0.082 25240 7954 1 10 . 1 1 42 42 VAL C C 42 173.877 173.877 173.556 0.321 25240 7955 1 10 . 1 1 42 42 VAL CA C 42 60.684 60.684 60.153 0.531 25240 7956 1 10 . 1 1 42 42 VAL CB C 42 34.015 34.015 33.842 0.173 25240 7957 1 10 . 1 1 42 42 VAL H H 42 8.264 8.264 8.493 -0.229 25240 7958 1 10 . 1 1 43 43 ALA N N 43 126.970 126.970 129.651 -2.681 25240 7959 1 10 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.655 -0.219 25240 7960 1 10 . 1 1 43 43 ALA C C 43 176.759 176.759 174.155 2.604 25240 7961 1 10 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.788 -0.635 25240 7962 1 10 . 1 1 43 43 ALA CB C 43 20.737 20.737 22.175 -1.438 25240 7963 1 10 . 1 1 43 43 ALA H H 43 7.420 7.420 8.033 -0.613 25240 7964 1 10 . 1 1 44 44 ASP N N 44 120.831 120.831 119.109 1.722 25240 7965 1 10 . 1 1 44 44 ASP HA H 44 4.575 4.575 4.831 -0.256 25240 7966 1 10 . 1 1 44 44 ASP C C 44 175.771 175.771 177.040 -1.269 25240 7967 1 10 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.815 1.344 25240 7968 1 10 . 1 1 44 44 ASP CB C 44 41.798 41.798 42.736 -0.938 25240 7969 1 10 . 1 1 44 44 ASP H H 44 8.285 8.285 8.184 0.101 25240 7970 1 10 . 1 1 45 45 ARG N N 45 118.015 118.015 116.378 1.637 25240 7971 1 10 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.293 -0.733 25240 7972 1 10 . 1 1 45 45 ARG C C 45 175.764 175.764 176.075 -0.311 25240 7973 1 10 . 1 1 45 45 ARG CA C 45 56.792 56.792 57.549 -0.757 25240 7974 1 10 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.043 0.965 25240 7975 1 10 . 1 1 45 45 ARG H H 45 8.020 8.020 8.249 -0.229 25240 7976 1 10 . 1 1 46 46 ASN N N 46 113.620 113.620 118.256 -4.636 25240 7977 1 10 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.672 -0.018 25240 7978 1 10 . 1 1 46 46 ASN C C 46 175.090 175.090 175.170 -0.080 25240 7979 1 10 . 1 1 46 46 ASN CA C 46 52.900 52.900 53.496 -0.596 25240 7980 1 10 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.925 -1.133 25240 7981 1 10 . 1 1 46 46 ASN H H 46 8.184 8.184 8.085 0.099 25240 7982 1 10 . 1 1 47 47 ALA N N 47 124.076 124.076 123.174 0.902 25240 7983 1 10 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.663 -0.456 25240 7984 1 10 . 1 1 47 47 ALA C C 47 176.472 176.472 176.279 0.193 25240 7985 1 10 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.218 1.797 25240 7986 1 10 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.561 0.405 25240 7987 1 10 . 1 1 47 47 ALA H H 47 7.515 7.515 7.378 0.137 25240 7988 1 10 . 1 1 48 48 GLU N N 48 117.871 117.871 121.255 -3.384 25240 7989 1 10 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.198 0.580 25240 7990 1 10 . 1 1 48 48 GLU C C 48 178.259 178.259 177.083 1.176 25240 7991 1 10 . 1 1 48 48 GLU CA C 48 54.732 54.732 55.606 -0.874 25240 7992 1 10 . 1 1 48 48 GLU CB C 48 32.755 32.755 30.670 2.085 25240 7993 1 10 . 1 1 48 48 GLU H H 48 8.327 8.327 8.436 -0.109 25240 7994 1 10 . 1 1 49 49 TYR N N 49 122.704 122.704 117.749 4.955 25240 7995 1 10 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.383 -0.548 25240 7996 1 10 . 1 1 49 49 TYR C C 49 176.809 176.809 177.473 -0.664 25240 7997 1 10 . 1 1 49 49 TYR CA C 49 62.744 62.744 60.705 2.039 25240 7998 1 10 . 1 1 49 49 TYR CB C 49 38.250 38.250 38.071 0.180 25240 7999 1 10 . 1 1 49 49 TYR H H 49 9.164 9.164 8.652 0.512 25240 8000 1 10 . 1 1 50 50 ASP N N 50 114.152 114.152 118.517 -4.365 25240 8001 1 10 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.302 -0.165 25240 8002 1 10 . 1 1 50 50 ASP C C 50 178.832 178.832 178.016 0.816 25240 8003 1 10 . 1 1 50 50 ASP CA C 50 57.364 57.364 57.367 -0.003 25240 8004 1 10 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.879 -1.142 25240 8005 1 10 . 1 1 50 50 ASP H H 50 8.516 8.516 8.502 0.014 25240 8006 1 10 . 1 1 51 51 GLN N N 51 120.262 120.262 118.693 1.569 25240 8007 1 10 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.098 -0.186 25240 8008 1 10 . 1 1 51 51 GLN C C 51 177.180 177.180 178.536 -1.356 25240 8009 1 10 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.880 -0.028 25240 8010 1 10 . 1 1 51 51 GLN CB C 51 28.864 28.864 29.133 -0.269 25240 8011 1 10 . 1 1 51 51 GLN H H 51 7.290 7.290 7.557 -0.267 25240 8012 1 10 . 1 1 52 52 PHE N N 52 121.864 121.864 117.957 3.907 25240 8013 1 10 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.412 -1.165 25240 8014 1 10 . 1 1 52 52 PHE C C 52 175.697 175.697 177.244 -1.547 25240 8015 1 10 . 1 1 52 52 PHE CA C 52 60.569 60.569 60.519 0.050 25240 8016 1 10 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.599 -0.006 25240 8017 1 10 . 1 1 52 52 PHE H H 52 6.926 6.926 7.711 -0.785 25240 8018 1 10 . 1 1 53 53 LEU N N 53 116.512 116.512 120.849 -4.337 25240 8019 1 10 . 1 1 53 53 LEU HA H 53 3.193 3.193 4.010 -0.817 25240 8020 1 10 . 1 1 53 53 LEU C C 53 179.877 179.877 178.510 1.367 25240 8021 1 10 . 1 1 53 53 LEU CA C 53 56.449 56.449 56.895 -0.446 25240 8022 1 10 . 1 1 53 53 LEU CB C 53 41.340 41.340 40.860 0.480 25240 8023 1 10 . 1 1 53 53 LEU H H 53 7.382 7.382 6.986 0.396 25240 8024 1 10 . 1 1 54 54 GLU N N 54 119.308 119.308 120.269 -0.961 25240 8025 1 10 . 1 1 54 54 GLU HA H 54 3.658 3.658 4.075 -0.417 25240 8026 1 10 . 1 1 54 54 GLU C C 54 179.371 179.371 178.234 1.137 25240 8027 1 10 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.023 0.222 25240 8028 1 10 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.341 -0.363 25240 8029 1 10 . 1 1 54 54 GLU H H 54 7.275 7.275 7.618 -0.343 25240 8030 1 10 . 1 1 55 55 ASP N N 55 119.986 119.986 120.185 -0.199 25240 8031 1 10 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.368 -0.055 25240 8032 1 10 . 1 1 55 55 ASP C C 55 179.573 179.573 178.654 0.919 25240 8033 1 10 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.661 -0.298 25240 8034 1 10 . 1 1 55 55 ASP CB C 55 40.195 40.195 40.904 -0.709 25240 8035 1 10 . 1 1 55 55 ASP H H 55 8.354 8.354 8.426 -0.072 25240 8036 1 10 . 1 1 56 56 ILE N N 56 121.615 121.615 118.734 2.881 25240 8037 1 10 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.772 -0.299 25240 8038 1 10 . 1 1 56 56 ILE C C 56 173.674 173.674 176.747 -3.073 25240 8039 1 10 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.646 0.815 25240 8040 1 10 . 1 1 56 56 ILE CB C 56 36.762 36.762 38.059 -1.296 25240 8041 1 10 . 1 1 56 56 ILE H H 56 8.093 8.093 7.383 0.710 25240 8042 1 10 . 1 1 57 57 GLN N N 57 113.032 113.032 117.529 -4.497 25240 8043 1 10 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.042 0.105 25240 8044 1 10 . 1 1 57 57 GLN C C 57 178.899 178.899 177.008 1.891 25240 8045 1 10 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.726 -1.735 25240 8046 1 10 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.880 3.075 25240 8047 1 10 . 1 1 57 57 GLN H H 57 6.377 6.377 7.579 -1.202 25240 8048 1 10 . 1 1 58 58 LYS N N 58 122.152 122.152 118.127 4.025 25240 8049 1 10 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.232 -0.390 25240 8050 1 10 . 1 1 58 58 LYS C C 58 176.674 176.674 177.243 -0.569 25240 8051 1 10 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.980 1.444 25240 8052 1 10 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.339 -0.270 25240 8053 1 10 . 1 1 58 58 LYS H H 58 7.280 7.280 8.437 -1.157 25240 8054 1 10 . 1 1 59 59 CYS N N 59 116.543 116.543 118.685 -2.142 25240 8055 1 10 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.385 -0.239 25240 8056 1 10 . 1 1 59 59 CYS C C 59 175.056 175.056 175.368 -0.312 25240 8057 1 10 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.812 -1.189 25240 8058 1 10 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.149 -2.231 25240 8059 1 10 . 1 1 59 59 CYS H H 59 7.784 7.784 7.711 0.073 25240 8060 1 10 . 1 1 60 60 GLY N N 60 109.550 109.550 106.849 2.701 25240 8061 1 10 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.441 -2.123 25240 8062 1 10 . 1 1 60 60 GLY H H 60 7.542 7.542 7.480 0.062 25240 8063 1 10 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.397 -0.169 25240 8064 1 10 . 1 1 61 61 PRO C C 61 177.079 177.079 178.401 -1.322 25240 8065 1 10 . 1 1 61 61 PRO CA C 61 64.117 64.117 64.472 -0.355 25240 8066 1 10 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.229 -0.733 25240 8067 1 10 . 1 1 62 62 GLY N N 62 106.490 106.490 107.599 -1.109 25240 8068 1 10 . 1 1 62 62 GLY C C 62 174.011 174.011 173.201 0.810 25240 8069 1 10 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.446 0.671 25240 8070 1 10 . 1 1 62 62 GLY H H 62 8.479 8.479 8.450 0.029 25240 8071 1 10 . 1 1 63 63 GLU N N 63 119.465 119.465 119.126 0.339 25240 8072 1 10 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.663 -0.365 25240 8073 1 10 . 1 1 63 63 GLU C C 63 173.775 173.775 174.716 -0.941 25240 8074 1 10 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.297 0.664 25240 8075 1 10 . 1 1 63 63 GLU CB C 63 33.557 33.557 34.526 -0.969 25240 8076 1 10 . 1 1 63 63 GLU H H 63 7.001 7.001 7.746 -0.745 25240 8077 1 10 . 1 1 64 64 CYS N N 64 111.402 111.402 117.723 -6.321 25240 8078 1 10 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.449 -0.940 25240 8079 1 10 . 1 1 64 64 CYS C C 64 173.371 173.371 173.680 -0.309 25240 8080 1 10 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.038 -0.391 25240 8081 1 10 . 1 1 64 64 CYS CB C 64 31.267 31.267 30.119 1.148 25240 8082 1 10 . 1 1 64 64 CYS H H 64 6.622 6.622 8.475 -1.853 25240 8083 1 10 . 1 1 65 65 ARG N N 65 117.835 117.835 120.226 -2.391 25240 8084 1 10 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.773 -0.099 25240 8085 1 10 . 1 1 65 65 ARG C C 65 174.820 174.820 173.625 1.195 25240 8086 1 10 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.338 -0.751 25240 8087 1 10 . 1 1 65 65 ARG CB C 65 39.737 39.737 32.635 7.103 25240 8088 1 10 . 1 1 65 65 ARG H H 65 8.621 8.621 8.725 -0.104 25240 8089 1 10 . 1 1 66 66 TYR N N 66 114.314 114.314 118.641 -4.327 25240 8090 1 10 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.595 0.480 25240 8091 1 10 . 1 1 66 66 TYR C C 66 176.068 176.068 176.354 -0.286 25240 8092 1 10 . 1 1 66 66 TYR CA C 66 54.846 54.846 56.046 -1.200 25240 8093 1 10 . 1 1 66 66 TYR CB C 66 41.798 41.798 41.073 0.725 25240 8094 1 10 . 1 1 66 66 TYR H H 66 8.256 8.256 9.242 -0.986 25240 8095 1 10 . 1 1 67 67 GLY N N 67 107.717 107.717 110.182 -2.465 25240 8096 1 10 . 1 1 67 67 GLY C C 67 170.135 170.135 172.344 -2.209 25240 8097 1 10 . 1 1 67 67 GLY CA C 67 45.575 45.575 44.669 0.906 25240 8098 1 10 . 1 1 67 67 GLY H H 67 9.831 9.831 9.416 0.415 25240 8099 1 10 . 1 1 68 68 LEU N N 68 127.494 127.494 128.490 -0.996 25240 8100 1 10 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.562 -0.068 25240 8101 1 10 . 1 1 68 68 LEU C C 68 173.674 173.674 174.342 -0.668 25240 8102 1 10 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.781 -0.457 25240 8103 1 10 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.046 3.131 25240 8104 1 10 . 1 1 68 68 LEU H H 68 9.391 9.391 9.059 0.332 25240 8105 1 10 . 1 1 69 69 PHE N N 69 126.775 126.775 128.667 -1.892 25240 8106 1 10 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.494 -0.991 25240 8107 1 10 . 1 1 69 69 PHE C C 69 172.629 172.629 173.528 -0.899 25240 8108 1 10 . 1 1 69 69 PHE CA C 69 56.334 56.334 55.371 0.963 25240 8109 1 10 . 1 1 69 69 PHE CB C 69 43.744 43.744 42.721 1.024 25240 8110 1 10 . 1 1 69 69 PHE H H 69 8.017 8.017 9.737 -1.720 25240 8111 1 10 . 1 1 70 70 ASP N N 70 126.639 126.639 129.945 -3.306 25240 8112 1 10 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.178 -0.387 25240 8113 1 10 . 1 1 70 70 ASP C C 70 172.764 172.764 174.737 -1.973 25240 8114 1 10 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.855 0.274 25240 8115 1 10 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.543 -1.890 25240 8116 1 10 . 1 1 70 70 ASP H H 70 7.087 7.087 8.947 -1.860 25240 8117 1 10 . 1 1 71 71 PHE N N 71 129.107 129.107 122.440 6.667 25240 8118 1 10 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.144 -0.448 25240 8119 1 10 . 1 1 71 71 PHE C C 71 174.315 174.315 173.725 0.590 25240 8120 1 10 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.647 3.205 25240 8121 1 10 . 1 1 71 71 PHE CB C 71 42.713 42.713 41.617 1.096 25240 8122 1 10 . 1 1 71 71 PHE H H 71 8.656 8.656 7.753 0.903 25240 8123 1 10 . 1 1 72 72 GLU N N 72 126.483 126.483 123.320 3.163 25240 8124 1 10 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.764 0.387 25240 8125 1 10 . 1 1 72 72 GLU C C 72 175.090 175.090 174.926 0.164 25240 8126 1 10 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.140 -0.408 25240 8127 1 10 . 1 1 72 72 GLU CB C 72 31.840 31.840 28.931 2.909 25240 8128 1 10 . 1 1 72 72 GLU H H 72 8.134 8.134 8.857 -0.723 25240 8129 1 10 . 1 1 73 73 TYR N N 73 120.527 120.527 127.184 -6.657 25240 8130 1 10 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.985 -0.310 25240 8131 1 10 . 1 1 73 73 TYR C C 73 172.966 172.966 174.378 -1.412 25240 8132 1 10 . 1 1 73 73 TYR CA C 73 55.991 55.991 56.992 -1.001 25240 8133 1 10 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.968 -2.459 25240 8134 1 10 . 1 1 73 73 TYR H H 73 8.504 8.504 8.728 -0.224 25240 8135 1 10 . 1 1 74 74 MET N N 74 118.604 118.604 124.038 -5.434 25240 8136 1 10 . 1 1 74 74 MET HA H 74 4.729 4.729 4.864 -0.135 25240 8137 1 10 . 1 1 74 74 MET C C 74 176.000 176.000 174.466 1.534 25240 8138 1 10 . 1 1 74 74 MET CA C 74 53.930 53.930 54.988 -1.058 25240 8139 1 10 . 1 1 74 74 MET CB C 74 32.412 32.412 32.325 0.087 25240 8140 1 10 . 1 1 74 74 MET H H 74 8.752 8.752 8.607 0.145 25240 8141 1 10 . 1 1 75 75 HIS N N 75 123.810 123.810 125.797 -1.987 25240 8142 1 10 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.737 -0.062 25240 8143 1 10 . 1 1 75 75 HIS C C 75 174.112 174.112 174.043 0.069 25240 8144 1 10 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.486 0.276 25240 8145 1 10 . 1 1 75 75 HIS CB C 75 32.755 32.755 32.300 0.455 25240 8146 1 10 . 1 1 75 75 HIS H H 75 8.902 8.902 8.424 0.478 25240 8147 1 10 . 1 1 76 76 GLN N N 76 125.324 125.324 124.958 0.366 25240 8148 1 10 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.546 -0.250 25240 8149 1 10 . 1 1 76 76 GLN C C 76 175.056 175.056 174.457 0.599 25240 8150 1 10 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.208 -0.019 25240 8151 1 10 . 1 1 76 76 GLN CB C 76 29.551 29.551 29.890 -0.339 25240 8152 1 10 . 1 1 76 76 GLN H H 76 8.292 8.292 8.500 -0.208 25240 8153 1 10 . 1 1 77 77 CYS N N 77 123.013 123.013 121.815 1.198 25240 8154 1 10 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.605 -0.309 25240 8155 1 10 . 1 1 77 77 CYS C C 77 174.719 174.719 174.411 0.308 25240 8156 1 10 . 1 1 77 77 CYS CA C 77 58.738 58.738 58.826 -0.088 25240 8157 1 10 . 1 1 77 77 CYS CB C 77 27.948 27.948 30.796 -2.848 25240 8158 1 10 . 1 1 77 77 CYS H H 77 8.420 8.420 8.026 0.394 25240 8159 1 10 . 1 1 78 78 GLN N N 78 123.960 123.960 119.739 4.221 25240 8160 1 10 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.970 0.130 25240 8161 1 10 . 1 1 78 78 GLN C C 78 176.910 176.910 175.985 0.925 25240 8162 1 10 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.046 -0.025 25240 8163 1 10 . 1 1 78 78 GLN CB C 78 28.635 28.635 27.565 1.070 25240 8164 1 10 . 1 1 78 78 GLN H H 78 8.658 8.658 9.493 -0.835 25240 8165 1 10 . 1 1 79 79 GLY N N 79 111.173 111.173 105.294 5.879 25240 8166 1 10 . 1 1 79 79 GLY C C 79 174.315 174.315 174.216 0.099 25240 8167 1 10 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.410 0.050 25240 8168 1 10 . 1 1 79 79 GLY H H 79 8.636 8.636 8.670 -0.034 25240 8169 1 10 . 1 1 80 80 THR N N 80 111.761 111.761 117.893 -6.132 25240 8170 1 10 . 1 1 80 80 THR HA H 80 4.483 4.483 4.552 -0.069 25240 8171 1 10 . 1 1 80 80 THR C C 80 174.483 174.483 174.068 0.415 25240 8172 1 10 . 1 1 80 80 THR CA C 80 60.912 60.912 61.285 -0.373 25240 8173 1 10 . 1 1 80 80 THR CB C 80 70.413 70.413 69.948 0.465 25240 8174 1 10 . 1 1 80 80 THR H H 80 7.730 7.730 7.653 0.077 25240 8175 1 10 . 1 1 81 81 SER N N 81 116.277 116.277 121.307 -5.030 25240 8176 1 10 . 1 1 81 81 SER HA H 81 3.810 3.810 4.470 -0.660 25240 8177 1 10 . 1 1 81 81 SER C C 81 174.517 174.517 175.516 -0.999 25240 8178 1 10 . 1 1 81 81 SER CA C 81 58.738 58.738 58.270 0.468 25240 8179 1 10 . 1 1 81 81 SER CB C 81 63.545 63.545 62.619 0.926 25240 8180 1 10 . 1 1 81 81 SER H H 81 8.312 8.312 8.958 -0.646 25240 8181 1 10 . 1 1 82 82 GLU N N 82 121.911 121.911 122.799 -0.888 25240 8182 1 10 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.132 0.117 25240 8183 1 10 . 1 1 82 82 GLU C C 82 176.202 176.202 176.482 -0.280 25240 8184 1 10 . 1 1 82 82 GLU CA C 82 56.449 56.449 57.360 -0.911 25240 8185 1 10 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.308 1.387 25240 8186 1 10 . 1 1 82 82 GLU H H 82 8.058 8.058 8.568 -0.510 25240 8187 1 10 . 1 1 83 83 SER N N 83 117.340 117.340 113.924 3.416 25240 8188 1 10 . 1 1 83 83 SER HA H 83 4.292 4.292 4.221 0.071 25240 8189 1 10 . 1 1 83 83 SER C C 83 174.146 174.146 173.452 0.694 25240 8190 1 10 . 1 1 83 83 SER CA C 83 58.165 58.165 58.871 -0.706 25240 8191 1 10 . 1 1 83 83 SER CB C 83 64.461 64.461 62.468 1.993 25240 8192 1 10 . 1 1 83 83 SER H H 83 8.355 8.355 8.010 0.345 25240 8193 1 10 . 1 1 84 84 SER N N 84 117.340 117.340 120.833 -3.493 25240 8194 1 10 . 1 1 84 84 SER HA H 84 4.734 4.734 4.398 0.336 25240 8195 1 10 . 1 1 84 84 SER C C 84 173.236 173.236 174.096 -0.860 25240 8196 1 10 . 1 1 84 84 SER CA C 84 57.708 57.708 58.761 -1.053 25240 8197 1 10 . 1 1 84 84 SER CB C 84 64.919 64.919 63.565 1.354 25240 8198 1 10 . 1 1 84 84 SER H H 84 8.435 8.435 8.557 -0.122 25240 8199 1 10 . 1 1 85 85 LYS N N 85 123.283 123.283 129.260 -5.977 25240 8200 1 10 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.783 -0.328 25240 8201 1 10 . 1 1 85 85 LYS C C 85 176.236 176.236 175.874 0.362 25240 8202 1 10 . 1 1 85 85 LYS CA C 85 56.677 56.677 55.682 0.995 25240 8203 1 10 . 1 1 85 85 LYS CB C 85 32.755 32.755 32.950 -0.195 25240 8204 1 10 . 1 1 85 85 LYS H H 85 8.274 8.274 8.349 -0.075 25240 8205 1 10 . 1 1 86 86 LYS N N 86 125.176 125.176 126.433 -1.257 25240 8206 1 10 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.520 -0.215 25240 8207 1 10 . 1 1 86 86 LYS C C 86 174.753 174.753 175.326 -0.573 25240 8208 1 10 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.526 -0.138 25240 8209 1 10 . 1 1 86 86 LYS CB C 86 34.358 34.358 35.194 -0.836 25240 8210 1 10 . 1 1 86 86 LYS H H 86 8.590 8.590 8.067 0.523 25240 8211 1 10 . 1 1 87 87 GLN N N 87 118.903 118.903 123.788 -4.885 25240 8212 1 10 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.618 0.551 25240 8213 1 10 . 1 1 87 87 GLN C C 87 175.562 175.562 175.414 0.148 25240 8214 1 10 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.124 -0.507 25240 8215 1 10 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.224 2.471 25240 8216 1 10 . 1 1 87 87 GLN H H 87 7.946 7.946 8.606 -0.660 25240 8217 1 10 . 1 1 88 88 LYS N N 88 124.114 124.114 125.638 -1.524 25240 8218 1 10 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.360 0.278 25240 8219 1 10 . 1 1 88 88 LYS C C 88 174.449 174.449 174.725 -0.276 25240 8220 1 10 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.630 0.788 25240 8221 1 10 . 1 1 88 88 LYS CB C 88 36.876 36.876 34.711 2.165 25240 8222 1 10 . 1 1 88 88 LYS H H 88 9.258 9.258 8.572 0.686 25240 8223 1 10 . 1 1 89 89 LEU N N 89 123.968 123.968 124.280 -0.312 25240 8224 1 10 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.163 -0.043 25240 8225 1 10 . 1 1 89 89 LEU C C 89 176.843 176.843 176.307 0.536 25240 8226 1 10 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.836 -0.219 25240 8227 1 10 . 1 1 89 89 LEU CB C 89 43.972 43.972 42.376 1.596 25240 8228 1 10 . 1 1 89 89 LEU H H 89 8.318 8.318 8.417 -0.099 25240 8229 1 10 . 1 1 90 90 PHE N N 90 118.366 118.366 121.940 -3.574 25240 8230 1 10 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.274 0.172 25240 8231 1 10 . 1 1 90 90 PHE C C 90 171.786 171.786 174.260 -2.474 25240 8232 1 10 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.693 -1.504 25240 8233 1 10 . 1 1 90 90 PHE CB C 90 43.286 43.286 43.384 -0.098 25240 8234 1 10 . 1 1 90 90 PHE H H 90 8.465 8.465 9.301 -0.836 25240 8235 1 10 . 1 1 91 91 LEU N N 91 121.719 121.719 125.111 -3.392 25240 8236 1 10 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.859 -0.354 25240 8237 1 10 . 1 1 91 91 LEU C C 91 174.449 174.449 175.240 -0.791 25240 8238 1 10 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.254 -0.354 25240 8239 1 10 . 1 1 91 91 LEU CB C 91 47.177 47.177 46.075 1.102 25240 8240 1 10 . 1 1 91 91 LEU H H 91 8.437 8.437 9.564 -1.127 25240 8241 1 10 . 1 1 92 92 MET N N 92 126.389 126.389 124.833 1.556 25240 8242 1 10 . 1 1 92 92 MET HA H 92 6.176 6.176 5.887 0.289 25240 8243 1 10 . 1 1 92 92 MET C C 92 176.169 176.169 175.197 0.972 25240 8244 1 10 . 1 1 92 92 MET CA C 92 53.015 53.015 53.609 -0.594 25240 8245 1 10 . 1 1 92 92 MET CB C 92 39.623 39.623 35.926 3.696 25240 8246 1 10 . 1 1 92 92 MET H H 92 10.273 10.273 9.326 0.947 25240 8247 1 10 . 1 1 93 93 SER N N 93 120.841 120.841 119.531 1.310 25240 8248 1 10 . 1 1 93 93 SER HA H 93 4.885 4.885 5.263 -0.378 25240 8249 1 10 . 1 1 93 93 SER C C 93 172.225 172.225 174.186 -1.961 25240 8250 1 10 . 1 1 93 93 SER CA C 93 56.563 56.563 57.516 -0.953 25240 8251 1 10 . 1 1 93 93 SER CB C 93 63.545 63.545 64.159 -0.614 25240 8252 1 10 . 1 1 93 93 SER H H 93 9.038 9.038 9.013 0.025 25240 8253 1 10 . 1 1 94 94 TRP N N 94 129.918 129.918 131.510 -1.592 25240 8254 1 10 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.406 -0.259 25240 8255 1 10 . 1 1 94 94 TRP C C 94 173.270 173.270 174.565 -1.295 25240 8256 1 10 . 1 1 94 94 TRP CA C 94 54.961 54.961 55.346 -0.385 25240 8257 1 10 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.692 1.002 25240 8258 1 10 . 1 1 94 94 TRP H H 94 9.001 9.001 8.947 0.054 25240 8259 1 10 . 1 1 95 95 CYS N N 95 122.538 122.538 124.472 -1.934 25240 8260 1 10 . 1 1 95 95 CYS HA H 95 4.821 4.821 5.220 -0.399 25240 8261 1 10 . 1 1 95 95 CYS CA C 95 53.813 53.813 56.004 -2.191 25240 8262 1 10 . 1 1 95 95 CYS H H 95 7.319 7.319 9.089 -1.770 25240 8263 1 10 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.579 -0.760 25240 8264 1 10 . 1 1 96 96 PRO C C 96 177.888 177.888 176.790 1.098 25240 8265 1 10 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.311 -1.483 25240 8266 1 10 . 1 1 96 96 PRO CB C 96 31.840 31.840 32.298 -0.458 25240 8267 1 10 . 1 1 97 97 ASP N N 97 118.960 118.960 123.432 -4.472 25240 8268 1 10 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.418 -0.360 25240 8269 1 10 . 1 1 97 97 ASP C C 97 176.809 176.809 177.083 -0.274 25240 8270 1 10 . 1 1 97 97 ASP CA C 97 56.906 56.906 55.981 0.925 25240 8271 1 10 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.628 0.254 25240 8272 1 10 . 1 1 97 97 ASP H H 97 8.040 8.040 8.771 -0.731 25240 8273 1 10 . 1 1 98 98 THR N N 98 104.267 104.267 112.970 -8.703 25240 8274 1 10 . 1 1 98 98 THR HA H 98 3.856 3.856 4.326 -0.470 25240 8275 1 10 . 1 1 98 98 THR C C 98 174.921 174.921 174.073 0.848 25240 8276 1 10 . 1 1 98 98 THR CA C 98 61.599 61.599 62.053 -0.454 25240 8277 1 10 . 1 1 98 98 THR CB C 98 68.925 68.925 68.586 0.339 25240 8278 1 10 . 1 1 98 98 THR H H 98 6.917 6.917 7.959 -1.042 25240 8279 1 10 . 1 1 99 99 ALA N N 99 125.807 125.807 123.514 2.293 25240 8280 1 10 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.462 -0.446 25240 8281 1 10 . 1 1 99 99 ALA C C 99 177.045 177.045 176.453 0.592 25240 8282 1 10 . 1 1 99 99 ALA CA C 99 52.099 52.099 51.054 1.045 25240 8283 1 10 . 1 1 99 99 ALA CB C 99 19.020 19.020 20.312 -1.292 25240 8284 1 10 . 1 1 99 99 ALA H H 99 7.496 7.496 7.235 0.261 25240 8285 1 10 . 1 1 100 100 LYS N N 100 119.465 119.465 121.216 -1.751 25240 8286 1 10 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.220 -0.135 25240 8287 1 10 . 1 1 100 100 LYS C C 100 178.832 178.832 178.205 0.627 25240 8288 1 10 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.651 -0.317 25240 8289 1 10 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.494 0.033 25240 8290 1 10 . 1 1 100 100 LYS H H 100 8.271 8.271 8.537 -0.266 25240 8291 1 10 . 1 1 101 101 VAL N N 101 123.351 123.351 125.534 -2.183 25240 8292 1 10 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.752 -0.355 25240 8293 1 10 . 1 1 101 101 VAL C C 101 177.584 177.584 177.367 0.217 25240 8294 1 10 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.600 1.379 25240 8295 1 10 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.846 -0.350 25240 8296 1 10 . 1 1 101 101 VAL H H 101 8.518 8.518 8.571 -0.053 25240 8297 1 10 . 1 1 102 102 LYS N N 102 118.249 118.249 120.265 -2.016 25240 8298 1 10 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.093 -0.162 25240 8299 1 10 . 1 1 102 102 LYS C C 102 179.540 179.540 178.990 0.550 25240 8300 1 10 . 1 1 102 102 LYS CA C 102 59.882 59.882 59.051 0.831 25240 8301 1 10 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.360 0.938 25240 8302 1 10 . 1 1 102 102 LYS H H 102 8.558 8.558 8.401 0.157 25240 8303 1 10 . 1 1 103 103 LYS N N 103 118.668 118.668 119.852 -1.184 25240 8304 1 10 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.052 0.066 25240 8305 1 10 . 1 1 103 103 LYS C C 103 177.921 177.921 179.075 -1.154 25240 8306 1 10 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.400 -1.006 25240 8307 1 10 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.157 -0.317 25240 8308 1 10 . 1 1 103 103 LYS H H 103 6.854 6.854 7.843 -0.989 25240 8309 1 10 . 1 1 104 104 LYS N N 104 119.199 119.199 117.315 1.884 25240 8310 1 10 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.283 -0.389 25240 8311 1 10 . 1 1 104 104 LYS C C 104 180.011 180.011 178.469 1.542 25240 8312 1 10 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.278 2.406 25240 8313 1 10 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.609 0.116 25240 8314 1 10 . 1 1 104 104 LYS H H 104 8.048 8.048 7.766 0.282 25240 8315 1 10 . 1 1 105 105 MET N N 105 118.021 118.021 121.751 -3.730 25240 8316 1 10 . 1 1 105 105 MET HA H 105 4.121 4.121 4.353 -0.232 25240 8317 1 10 . 1 1 105 105 MET C C 105 178.899 178.899 177.754 1.145 25240 8318 1 10 . 1 1 105 105 MET CA C 105 58.509 58.509 57.951 0.558 25240 8319 1 10 . 1 1 105 105 MET CB C 105 32.069 32.069 32.403 -0.334 25240 8320 1 10 . 1 1 105 105 MET H H 105 8.546 8.546 8.046 0.500 25240 8321 1 10 . 1 1 106 106 LEU N N 106 122.895 122.895 115.602 7.293 25240 8322 1 10 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.210 -0.174 25240 8323 1 10 . 1 1 106 106 LEU C C 106 179.910 179.910 178.825 1.085 25240 8324 1 10 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.744 0.421 25240 8325 1 10 . 1 1 106 106 LEU CB C 106 41.912 41.912 40.077 1.835 25240 8326 1 10 . 1 1 106 106 LEU H H 106 7.674 7.674 7.824 -0.150 25240 8327 1 10 . 1 1 107 107 TYR N N 107 119.036 119.036 121.144 -2.108 25240 8328 1 10 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.645 -0.611 25240 8329 1 10 . 1 1 107 107 TYR C C 107 181.360 181.360 177.235 4.125 25240 8330 1 10 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.338 0.574 25240 8331 1 10 . 1 1 107 107 TYR CB C 107 37.677 37.677 38.666 -0.989 25240 8332 1 10 . 1 1 107 107 TYR H H 107 8.669 8.669 7.613 1.056 25240 8333 1 10 . 1 1 108 108 SER N N 108 118.372 118.372 114.039 4.333 25240 8334 1 10 . 1 1 108 108 SER HA H 108 4.324 4.324 4.214 0.110 25240 8335 1 10 . 1 1 108 108 SER C C 108 178.023 178.023 176.009 2.014 25240 8336 1 10 . 1 1 108 108 SER CA C 108 62.286 62.286 61.354 0.932 25240 8337 1 10 . 1 1 108 108 SER CB C 108 63.545 63.545 62.685 0.860 25240 8338 1 10 . 1 1 108 108 SER H H 108 8.973 8.973 8.186 0.787 25240 8339 1 10 . 1 1 109 109 SER N N 109 116.727 116.727 115.636 1.091 25240 8340 1 10 . 1 1 109 109 SER HA H 109 4.292 4.292 4.438 -0.146 25240 8341 1 10 . 1 1 109 109 SER C C 109 176.405 176.405 176.012 0.393 25240 8342 1 10 . 1 1 109 109 SER CA C 109 61.370 61.370 60.793 0.577 25240 8343 1 10 . 1 1 109 109 SER CB C 109 63.202 63.202 63.290 -0.088 25240 8344 1 10 . 1 1 109 109 SER H H 109 8.353 8.353 7.564 0.789 25240 8345 1 10 . 1 1 110 110 SER N N 110 115.229 115.229 117.547 -2.318 25240 8346 1 10 . 1 1 110 110 SER HA H 110 4.549 4.549 4.344 0.205 25240 8347 1 10 . 1 1 110 110 SER C C 110 172.899 172.899 175.529 -2.630 25240 8348 1 10 . 1 1 110 110 SER CA C 110 59.424 59.424 59.784 -0.360 25240 8349 1 10 . 1 1 110 110 SER CB C 110 62.973 62.973 63.073 -0.100 25240 8350 1 10 . 1 1 110 110 SER H H 110 7.236 7.236 7.528 -0.292 25240 8351 1 10 . 1 1 111 111 PHE N N 111 120.978 120.978 123.589 -2.611 25240 8352 1 10 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.995 0.020 25240 8353 1 10 . 1 1 111 111 PHE C C 111 177.483 177.483 176.568 0.915 25240 8354 1 10 . 1 1 111 111 PHE CA C 111 57.708 57.708 62.002 -4.294 25240 8355 1 10 . 1 1 111 111 PHE CB C 111 38.364 38.364 39.096 -0.732 25240 8356 1 10 . 1 1 111 111 PHE H H 111 7.069 7.069 7.611 -0.542 25240 8357 1 10 . 1 1 112 112 ASP N N 112 116.485 116.485 118.104 -1.619 25240 8358 1 10 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.225 -0.472 25240 8359 1 10 . 1 1 112 112 ASP C C 112 177.281 177.281 177.245 0.036 25240 8360 1 10 . 1 1 112 112 ASP CA C 112 57.479 57.479 55.798 1.681 25240 8361 1 10 . 1 1 112 112 ASP CB C 112 40.424 40.424 40.721 -0.297 25240 8362 1 10 . 1 1 112 112 ASP H H 112 8.305 8.305 8.303 0.002 25240 8363 1 10 . 1 1 113 113 ALA N N 113 121.059 121.059 122.251 -1.192 25240 8364 1 10 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.956 -0.203 25240 8365 1 10 . 1 1 113 113 ALA C C 113 180.416 180.416 179.488 0.928 25240 8366 1 10 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.923 -0.077 25240 8367 1 10 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.575 -1.500 25240 8368 1 10 . 1 1 113 113 ALA H H 113 7.393 7.393 7.686 -0.293 25240 8369 1 10 . 1 1 114 114 LEU N N 114 118.535 118.535 114.706 3.829 25240 8370 1 10 . 1 1 114 114 LEU HA H 114 3.632 3.632 4.001 -0.369 25240 8371 1 10 . 1 1 114 114 LEU C C 114 178.191 178.191 177.799 0.392 25240 8372 1 10 . 1 1 114 114 LEU CA C 114 56.906 56.906 56.443 0.463 25240 8373 1 10 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.946 0.394 25240 8374 1 10 . 1 1 114 114 LEU H H 114 6.647 6.647 7.287 -0.640 25240 8375 1 10 . 1 1 115 115 LYS N N 115 117.340 117.340 119.381 -2.041 25240 8376 1 10 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.663 -0.434 25240 8377 1 10 . 1 1 115 115 LYS C C 115 179.877 179.877 177.769 2.108 25240 8378 1 10 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.415 0.009 25240 8379 1 10 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.628 0.326 25240 8380 1 10 . 1 1 115 115 LYS H H 115 7.730 7.730 7.748 -0.018 25240 8381 1 10 . 1 1 116 116 LYS N N 116 116.144 116.144 117.087 -0.943 25240 8382 1 10 . 1 1 116 116 LYS HA H 116 3.700 3.700 3.997 -0.297 25240 8383 1 10 . 1 1 116 116 LYS C C 116 177.652 177.652 177.771 -0.119 25240 8384 1 10 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.532 -0.138 25240 8385 1 10 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.181 0.346 25240 8386 1 10 . 1 1 116 116 LYS H H 116 7.714 7.714 7.287 0.427 25240 8387 1 10 . 1 1 117 117 SER N N 117 111.789 111.789 114.356 -2.567 25240 8388 1 10 . 1 1 117 117 SER HA H 117 4.179 4.179 4.230 -0.051 25240 8389 1 10 . 1 1 117 117 SER C C 117 174.483 174.483 175.695 -1.212 25240 8390 1 10 . 1 1 117 117 SER CA C 117 60.912 60.912 60.340 0.572 25240 8391 1 10 . 1 1 117 117 SER CB C 117 64.232 64.232 64.256 -0.024 25240 8392 1 10 . 1 1 117 117 SER H H 117 6.957 6.957 7.599 -0.642 25240 8393 1 10 . 1 1 118 118 LEU N N 118 122.293 122.293 116.093 6.200 25240 8394 1 10 . 1 1 118 118 LEU HA H 118 3.922 3.922 4.004 -0.082 25240 8395 1 10 . 1 1 118 118 LEU C C 118 175.730 175.730 176.054 -0.324 25240 8396 1 10 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.876 -1.662 25240 8397 1 10 . 1 1 118 118 LEU CB C 118 37.448 37.448 40.772 -3.324 25240 8398 1 10 . 1 1 118 118 LEU H H 118 6.997 6.997 7.907 -0.910 25240 8399 1 10 . 1 1 119 119 VAL N N 119 121.059 121.059 121.062 -0.003 25240 8400 1 10 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.693 -0.066 25240 8401 1 10 . 1 1 119 119 VAL C C 119 178.697 178.697 177.344 1.353 25240 8402 1 10 . 1 1 119 119 VAL CA C 119 64.919 64.919 64.472 0.447 25240 8403 1 10 . 1 1 119 119 VAL CB C 119 31.382 31.382 31.919 -0.537 25240 8404 1 10 . 1 1 119 119 VAL H H 119 7.347 7.347 7.145 0.202 25240 8405 1 10 . 1 1 120 120 GLY N N 120 117.377 117.377 116.541 0.836 25240 8406 1 10 . 1 1 120 120 GLY C C 120 174.517 174.517 173.439 1.078 25240 8407 1 10 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.540 0.348 25240 8408 1 10 . 1 1 120 120 GLY H H 120 9.077 9.077 8.647 0.430 25240 8409 1 10 . 1 1 121 121 VAL N N 121 122.254 122.254 120.915 1.339 25240 8410 1 10 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.850 -0.088 25240 8411 1 10 . 1 1 121 121 VAL C C 121 175.966 175.966 175.458 0.508 25240 8412 1 10 . 1 1 121 121 VAL CA C 121 64.117 64.117 63.306 0.811 25240 8413 1 10 . 1 1 121 121 VAL CB C 121 31.611 31.611 32.572 -0.961 25240 8414 1 10 . 1 1 121 121 VAL H H 121 7.316 7.316 7.429 -0.113 25240 8415 1 10 . 1 1 122 122 GLN N N 122 123.484 123.484 125.841 -2.357 25240 8416 1 10 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.409 -0.156 25240 8417 1 10 . 1 1 122 122 GLN C C 122 174.854 174.854 175.575 -0.721 25240 8418 1 10 . 1 1 122 122 GLN CA C 122 56.105 56.105 55.838 0.267 25240 8419 1 10 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.701 1.338 25240 8420 1 10 . 1 1 122 122 GLN H H 122 8.678 8.678 8.564 0.114 25240 8421 1 10 . 1 1 123 123 LYS N N 123 117.871 117.871 119.252 -1.381 25240 8422 1 10 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.510 -0.200 25240 8423 1 10 . 1 1 123 123 LYS C C 123 173.000 173.000 174.093 -1.093 25240 8424 1 10 . 1 1 123 123 LYS CA C 123 53.358 53.358 56.088 -2.730 25240 8425 1 10 . 1 1 123 123 LYS CB C 123 34.816 34.816 35.746 -0.930 25240 8426 1 10 . 1 1 123 123 LYS H H 123 6.726 6.726 7.761 -1.035 25240 8427 1 10 . 1 1 124 124 TYR N N 124 123.352 123.352 123.377 -0.025 25240 8428 1 10 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.964 -0.065 25240 8429 1 10 . 1 1 124 124 TYR C C 124 175.663 175.663 174.501 1.162 25240 8430 1 10 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.461 -0.615 25240 8431 1 10 . 1 1 124 124 TYR CB C 124 40.424 40.424 39.481 0.943 25240 8432 1 10 . 1 1 124 124 TYR H H 124 8.441 8.441 8.053 0.388 25240 8433 1 10 . 1 1 125 125 ILE N N 125 122.835 122.835 125.472 -2.637 25240 8434 1 10 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.613 -0.211 25240 8435 1 10 . 1 1 125 125 ILE C C 125 174.348 174.348 174.295 0.053 25240 8436 1 10 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.868 0.014 25240 8437 1 10 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.011 0.245 25240 8438 1 10 . 1 1 125 125 ILE H H 125 9.123 9.123 9.278 -0.155 25240 8439 1 10 . 1 1 126 126 GLN N N 126 126.869 126.869 129.110 -2.241 25240 8440 1 10 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.626 0.251 25240 8441 1 10 . 1 1 126 126 GLN C C 126 174.146 174.146 174.404 -0.258 25240 8442 1 10 . 1 1 126 126 GLN CA C 126 55.075 55.075 56.438 -1.363 25240 8443 1 10 . 1 1 126 126 GLN CB C 126 29.551 29.551 29.673 -0.122 25240 8444 1 10 . 1 1 126 126 GLN H H 126 8.916 8.916 8.839 0.077 25240 8445 1 10 . 1 1 127 127 ALA N N 127 127.414 127.414 129.723 -2.309 25240 8446 1 10 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.818 0.145 25240 8447 1 10 . 1 1 127 127 ALA C C 127 176.539 176.539 176.709 -0.170 25240 8448 1 10 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.448 0.506 25240 8449 1 10 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.372 1.510 25240 8450 1 10 . 1 1 127 127 ALA H H 127 8.829 8.829 9.131 -0.302 25240 8451 1 10 . 1 1 128 128 THR N N 128 112.753 112.753 114.470 -1.717 25240 8452 1 10 . 1 1 128 128 THR HA H 128 3.994 3.994 4.519 -0.525 25240 8453 1 10 . 1 1 128 128 THR C C 128 172.933 172.933 174.088 -1.155 25240 8454 1 10 . 1 1 128 128 THR CA C 128 60.912 60.912 62.927 -2.015 25240 8455 1 10 . 1 1 128 128 THR CB C 128 70.527 70.527 69.507 1.020 25240 8456 1 10 . 1 1 128 128 THR H H 128 9.350 9.350 8.440 0.910 25240 8457 1 10 . 1 1 129 129 ASP N N 129 118.551 118.551 119.945 -1.394 25240 8458 1 10 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.666 -0.088 25240 8459 1 10 . 1 1 129 129 ASP C C 129 176.573 176.573 177.919 -1.346 25240 8460 1 10 . 1 1 129 129 ASP CA C 129 53.015 53.015 53.006 0.009 25240 8461 1 10 . 1 1 129 129 ASP CB C 129 43.744 43.744 42.355 1.389 25240 8462 1 10 . 1 1 129 129 ASP H H 129 7.602 7.602 7.798 -0.196 25240 8463 1 10 . 1 1 130 130 LEU N N 130 122.387 122.387 121.516 0.871 25240 8464 1 10 . 1 1 130 130 LEU HA H 130 3.977 3.977 3.976 0.001 25240 8465 1 10 . 1 1 130 130 LEU C C 130 179.202 179.202 178.721 0.481 25240 8466 1 10 . 1 1 130 130 LEU CA C 130 58.051 58.051 56.932 1.119 25240 8467 1 10 . 1 1 130 130 LEU CB C 130 41.569 41.569 41.864 -0.295 25240 8468 1 10 . 1 1 130 130 LEU H H 130 8.910 8.910 8.609 0.301 25240 8469 1 10 . 1 1 131 131 SER N N 131 116.410 116.410 114.647 1.763 25240 8470 1 10 . 1 1 131 131 SER HA H 131 3.856 3.856 4.183 -0.327 25240 8471 1 10 . 1 1 131 131 SER C C 131 177.180 177.180 175.401 1.779 25240 8472 1 10 . 1 1 131 131 SER CA C 131 62.515 62.515 60.929 1.586 25240 8473 1 10 . 1 1 131 131 SER CB C 131 68.352 68.352 62.950 5.402 25240 8474 1 10 . 1 1 131 131 SER H H 131 8.645 8.645 8.492 0.153 25240 8475 1 10 . 1 1 132 132 GLU N N 132 120.840 120.840 117.424 3.416 25240 8476 1 10 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.280 -0.210 25240 8477 1 10 . 1 1 132 132 GLU C C 132 175.427 175.427 174.630 0.797 25240 8478 1 10 . 1 1 132 132 GLU CA C 132 57.021 57.021 55.590 1.431 25240 8479 1 10 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.982 1.057 25240 8480 1 10 . 1 1 132 132 GLU H H 132 7.749 7.749 7.761 -0.012 25240 8481 1 10 . 1 1 133 133 ALA N N 133 117.182 117.182 121.248 -4.066 25240 8482 1 10 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.382 -0.031 25240 8483 1 10 . 1 1 133 133 ALA C C 133 175.730 175.730 175.192 0.538 25240 8484 1 10 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.081 -0.699 25240 8485 1 10 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.123 1.156 25240 8486 1 10 . 1 1 133 133 ALA H H 133 7.347 7.347 7.353 -0.006 25240 8487 1 10 . 1 1 134 134 SER N N 134 115.197 115.197 116.814 -1.617 25240 8488 1 10 . 1 1 134 134 SER HA H 134 4.185 4.185 4.563 -0.378 25240 8489 1 10 . 1 1 134 134 SER C C 134 173.067 173.067 175.100 -2.033 25240 8490 1 10 . 1 1 134 134 SER CA C 134 58.509 58.509 56.768 1.741 25240 8491 1 10 . 1 1 134 134 SER CB C 134 64.690 64.690 67.015 -2.325 25240 8492 1 10 . 1 1 134 134 SER H H 134 7.061 7.061 7.966 -0.905 25240 8493 1 10 . 1 1 135 135 ARG N N 135 122.190 122.190 122.610 -0.420 25240 8494 1 10 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.906 0.279 25240 8495 1 10 . 1 1 135 135 ARG C C 135 177.888 177.888 178.137 -0.249 25240 8496 1 10 . 1 1 135 135 ARG CA C 135 60.111 60.111 58.958 1.153 25240 8497 1 10 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.710 -0.159 25240 8498 1 10 . 1 1 135 135 ARG H H 135 8.961 8.961 8.844 0.117 25240 8499 1 10 . 1 1 136 136 GLU N N 136 115.480 115.480 119.018 -3.538 25240 8500 1 10 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.116 -0.321 25240 8501 1 10 . 1 1 136 136 GLU C C 136 178.865 178.865 178.253 0.612 25240 8502 1 10 . 1 1 136 136 GLU CA C 136 59.997 59.997 57.984 2.013 25240 8503 1 10 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.548 -0.799 25240 8504 1 10 . 1 1 136 136 GLU H H 136 8.588 8.588 8.633 -0.045 25240 8505 1 10 . 1 1 137 137 ALA N N 137 123.947 123.947 120.881 3.066 25240 8506 1 10 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.522 -0.600 25240 8507 1 10 . 1 1 137 137 ALA C C 137 181.191 181.191 179.521 1.670 25240 8508 1 10 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.205 0.641 25240 8509 1 10 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.407 -0.073 25240 8510 1 10 . 1 1 137 137 ALA H H 137 7.578 7.578 7.955 -0.377 25240 8511 1 10 . 1 1 138 138 VAL N N 138 119.326 119.326 117.890 1.436 25240 8512 1 10 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.616 0.289 25240 8513 1 10 . 1 1 138 138 VAL C C 138 177.584 177.584 177.593 -0.009 25240 8514 1 10 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.283 0.352 25240 8515 1 10 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.406 -0.367 25240 8516 1 10 . 1 1 138 138 VAL H H 138 8.108 8.108 7.676 0.432 25240 8517 1 10 . 1 1 139 139 GLU N N 139 119.418 119.418 118.461 0.957 25240 8518 1 10 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.951 0.120 25240 8519 1 10 . 1 1 139 139 GLU C C 139 178.157 178.157 178.072 0.085 25240 8520 1 10 . 1 1 139 139 GLU CA C 139 60.569 60.569 58.996 1.573 25240 8521 1 10 . 1 1 139 139 GLU CB C 139 29.093 29.093 29.193 -0.100 25240 8522 1 10 . 1 1 139 139 GLU H H 139 8.248 8.248 7.786 0.462 25240 8523 1 10 . 1 1 140 140 GLU N N 140 116.410 116.410 118.790 -2.380 25240 8524 1 10 . 1 1 140 140 GLU HA H 140 3.731 3.731 4.081 -0.350 25240 8525 1 10 . 1 1 140 140 GLU C C 140 179.202 179.202 178.568 0.634 25240 8526 1 10 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.719 0.705 25240 8527 1 10 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.013 0.080 25240 8528 1 10 . 1 1 140 140 GLU H H 140 7.305 7.305 8.093 -0.788 25240 8529 1 10 . 1 1 141 141 LYS N N 141 118.210 118.210 118.967 -0.757 25240 8530 1 10 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.089 -0.159 25240 8531 1 10 . 1 1 141 141 LYS C C 141 179.607 179.607 179.016 0.591 25240 8532 1 10 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.680 -0.286 25240 8533 1 10 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.450 -0.267 25240 8534 1 10 . 1 1 141 141 LYS H H 141 7.292 7.292 7.426 -0.134 25240 8535 1 10 . 1 1 142 142 LEU N N 142 119.472 119.472 116.525 2.947 25240 8536 1 10 . 1 1 142 142 LEU HA H 142 3.680 3.680 3.982 -0.302 25240 8537 1 10 . 1 1 142 142 LEU C C 142 178.663 178.663 178.525 0.138 25240 8538 1 10 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.241 0.123 25240 8539 1 10 . 1 1 142 142 LEU CB C 142 40.424 40.424 40.386 0.038 25240 8540 1 10 . 1 1 142 142 LEU H H 142 8.112 8.112 7.254 0.858 25240 8541 1 10 . 1 1 143 143 ARG N N 143 117.384 117.384 119.863 -2.479 25240 8542 1 10 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.479 -0.519 25240 8543 1 10 . 1 1 143 143 ARG C C 143 177.989 177.989 178.100 -0.111 25240 8544 1 10 . 1 1 143 143 ARG CA C 143 58.051 58.051 58.024 0.027 25240 8545 1 10 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.663 1.032 25240 8546 1 10 . 1 1 143 143 ARG H H 143 7.832 7.832 8.658 -0.826 25240 8547 1 10 . 1 1 144 144 ALA N N 144 121.192 121.192 120.438 0.754 25240 8548 1 10 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.218 -0.137 25240 8549 1 10 . 1 1 144 144 ALA C C 144 178.697 178.697 177.814 0.883 25240 8550 1 10 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.462 0.468 25240 8551 1 10 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.259 0.532 25240 8552 1 10 . 1 1 144 144 ALA H H 144 7.284 7.284 7.671 -0.387 25240 8553 1 10 . 1 1 145 145 THR N N 145 109.503 109.503 112.447 -2.944 25240 8554 1 10 . 1 1 145 145 THR HA H 145 4.270 4.270 4.481 -0.211 25240 8555 1 10 . 1 1 145 145 THR C C 145 174.787 174.787 173.607 1.180 25240 8556 1 10 . 1 1 145 145 THR CA C 145 61.828 61.828 62.415 -0.587 25240 8557 1 10 . 1 1 145 145 THR CB C 145 68.925 68.925 69.768 -0.843 25240 8558 1 10 . 1 1 145 145 THR H H 145 7.690 7.690 7.410 0.280 25240 8559 1 10 . 1 1 146 146 ASP N N 146 122.786 122.786 124.165 -1.379 25240 8560 1 10 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.566 -0.022 25240 8561 1 10 . 1 1 146 146 ASP C C 146 176.000 176.000 175.510 0.490 25240 8562 1 10 . 1 1 146 146 ASP CA C 146 54.732 54.732 54.811 -0.079 25240 8563 1 10 . 1 1 146 146 ASP CB C 146 41.111 41.111 41.337 -0.226 25240 8564 1 10 . 1 1 146 146 ASP H H 146 7.873 7.873 7.700 0.173 25240 8565 1 10 . 1 1 147 147 ARG N N 147 120.926 120.926 126.276 -5.350 25240 8566 1 10 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.149 0.121 25240 8567 1 10 . 1 1 147 147 ARG C C 147 175.427 175.427 175.492 -0.065 25240 8568 1 10 . 1 1 147 147 ARG CA C 147 56.105 56.105 56.880 -0.775 25240 8569 1 10 . 1 1 147 147 ARG CB C 147 30.695 30.695 30.493 0.202 25240 8570 1 10 . 1 1 147 147 ARG H H 147 8.048 8.048 8.424 -0.376 25240 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 144 3.420 0.861 3.322 25240 2 1 1 "Average Difference" HA 152 0.394 0.162 0.360 25240 3 1 1 "Average Difference" C 144 1.146 -0.056 1.148 25240 4 1 1 "Average Difference" CA 146 1.312 0.004 1.316 25240 5 1 1 "Average Difference" CB 139 1.524 -0.169 1.520 25240 6 1 1 "Average Difference" HN 144 0.666 0.168 0.647 25240 7 1 2 "Average Difference" N 144 3.511 0.818 3.426 25240 8 1 2 "Average Difference" HA 152 0.378 0.127 0.357 25240 9 1 2 "Average Difference" C 144 1.143 -0.079 1.144 25240 10 1 2 "Average Difference" CA 146 1.250 0.082 1.252 25240 11 1 2 "Average Difference" CB 139 1.517 -0.160 1.514 25240 12 1 2 "Average Difference" HN 144 0.681 0.119 0.672 25240 13 1 3 "Average Difference" N 144 3.732 0.693 3.680 25240 14 1 3 "Average Difference" HA 152 0.408 0.106 0.395 25240 15 1 3 "Average Difference" C 144 1.182 -0.055 1.185 25240 16 1 3 "Average Difference" CA 146 1.219 0.103 1.219 25240 17 1 3 "Average Difference" CB 139 1.557 -0.273 1.539 25240 18 1 3 "Average Difference" HN 144 0.690 0.090 0.687 25240 19 1 4 "Average Difference" N 144 3.348 0.741 3.277 25240 20 1 4 "Average Difference" HA 152 0.400 0.118 0.383 25240 21 1 4 "Average Difference" C 144 1.209 -0.014 1.213 25240 22 1 4 "Average Difference" CA 146 1.247 0.059 1.250 25240 23 1 4 "Average Difference" CB 139 1.503 -0.219 1.492 25240 24 1 4 "Average Difference" HN 144 0.689 0.067 0.688 25240 25 1 5 "Average Difference" N 144 3.428 0.604 3.386 25240 26 1 5 "Average Difference" HA 152 0.354 0.112 0.337 25240 27 1 5 "Average Difference" C 144 1.068 -0.025 1.072 25240 28 1 5 "Average Difference" CA 146 1.183 0.115 1.181 25240 29 1 5 "Average Difference" CB 139 1.533 -0.294 1.510 25240 30 1 5 "Average Difference" HN 144 0.649 0.079 0.646 25240 31 1 6 "Average Difference" N 144 3.686 0.901 3.587 25240 32 1 6 "Average Difference" HA 152 0.403 0.106 0.391 25240 33 1 6 "Average Difference" C 144 1.245 -0.024 1.249 25240 34 1 6 "Average Difference" CA 146 1.307 0.078 1.310 25240 35 1 6 "Average Difference" CB 139 1.609 -0.313 1.584 25240 36 1 6 "Average Difference" HN 144 0.716 0.117 0.709 25240 37 1 7 "Average Difference" N 144 3.323 0.573 3.284 25240 38 1 7 "Average Difference" HA 152 0.381 0.134 0.358 25240 39 1 7 "Average Difference" C 144 1.249 -0.006 1.254 25240 40 1 7 "Average Difference" CA 146 1.273 0.019 1.277 25240 41 1 7 "Average Difference" CB 139 1.525 -0.218 1.514 25240 42 1 7 "Average Difference" HN 144 0.648 0.064 0.647 25240 43 1 8 "Average Difference" N 144 3.554 0.791 3.477 25240 44 1 8 "Average Difference" HA 152 0.427 0.163 0.396 25240 45 1 8 "Average Difference" C 144 1.182 -0.055 1.185 25240 46 1 8 "Average Difference" CA 146 1.300 -0.013 1.304 25240 47 1 8 "Average Difference" CB 139 1.492 -0.200 1.484 25240 48 1 8 "Average Difference" HN 144 0.666 0.116 0.658 25240 49 1 9 "Average Difference" N 144 3.680 0.849 3.593 25240 50 1 9 "Average Difference" HA 152 0.396 0.157 0.364 25240 51 1 9 "Average Difference" C 144 1.174 -0.035 1.178 25240 52 1 9 "Average Difference" CA 146 1.264 0.037 1.268 25240 53 1 9 "Average Difference" CB 139 1.566 -0.247 1.552 25240 54 1 9 "Average Difference" HN 144 0.682 0.113 0.675 25240 55 1 10 "Average Difference" N 144 3.318 0.860 3.216 25240 56 1 10 "Average Difference" HA 152 0.364 0.141 0.337 25240 57 1 10 "Average Difference" C 144 1.137 -0.078 1.138 25240 58 1 10 "Average Difference" CA 146 1.212 0.045 1.215 25240 59 1 10 "Average Difference" CB 139 1.560 -0.215 1.551 25240 60 1 10 "Average Difference" HN 144 0.631 0.114 0.623 25240 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 25240 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 126.020 126.020 125.411 0.609 25240 2 1 . 1 1 2 2 ALA HA H 2 4.207 4.207 4.484 -0.277 25240 3 1 . 1 1 2 2 ALA C C 2 177.605 177.605 176.619 0.986 25240 4 1 . 1 1 2 2 ALA CA C 2 52.442 52.442 51.958 0.484 25240 5 1 . 1 1 2 2 ALA CB C 2 19.135 19.135 19.634 -0.499 25240 6 1 . 1 1 2 2 ALA H H 2 8.306 8.306 8.349 -0.043 25240 7 1 . 1 1 3 3 SER N N 3 115.214 115.214 115.704 -0.490 25240 8 1 . 1 1 3 3 SER HA H 3 4.282 4.282 4.352 -0.070 25240 9 1 . 1 1 3 3 SER C C 3 174.965 174.965 174.408 0.557 25240 10 1 . 1 1 3 3 SER CA C 3 58.165 58.165 58.884 -0.719 25240 11 1 . 1 1 3 3 SER CB C 3 64.003 64.003 63.256 0.747 25240 12 1 . 1 1 3 3 SER H H 3 8.183 8.183 8.270 -0.087 25240 13 1 . 1 1 4 4 GLY N N 4 110.858 110.858 111.372 -0.514 25240 14 1 . 1 1 4 4 GLY C C 4 173.716 173.716 172.979 0.737 25240 15 1 . 1 1 4 4 GLY CA C 4 45.003 45.003 44.965 0.038 25240 16 1 . 1 1 4 4 GLY H H 4 8.279 8.279 8.095 0.184 25240 17 1 . 1 1 5 5 VAL N N 5 119.961 119.961 123.095 -3.134 25240 18 1 . 1 1 5 5 VAL HA H 5 4.128 4.128 4.485 -0.357 25240 19 1 . 1 1 5 5 VAL C C 5 176.275 176.275 175.698 0.577 25240 20 1 . 1 1 5 5 VAL CA C 5 62.172 62.172 60.946 1.226 25240 21 1 . 1 1 5 5 VAL CB C 5 32.641 32.641 33.778 -1.137 25240 22 1 . 1 1 5 5 VAL H H 5 7.672 7.672 7.991 -0.319 25240 23 1 . 1 1 6 6 THR N N 6 115.480 115.480 122.696 -7.216 25240 24 1 . 1 1 6 6 THR HA H 6 4.487 4.487 4.547 -0.060 25240 25 1 . 1 1 6 6 THR C C 6 173.252 173.252 173.122 0.130 25240 26 1 . 1 1 6 6 THR CA C 6 59.882 59.882 61.766 -1.884 25240 27 1 . 1 1 6 6 THR CB C 6 71.328 71.328 70.020 1.308 25240 28 1 . 1 1 6 6 THR H H 6 7.756 7.756 8.383 -0.627 25240 29 1 . 1 1 7 7 VAL N N 7 120.262 120.262 124.859 -4.597 25240 30 1 . 1 1 7 7 VAL HA H 7 4.079 4.079 4.215 -0.136 25240 31 1 . 1 1 7 7 VAL C C 7 176.215 176.215 175.572 0.643 25240 32 1 . 1 1 7 7 VAL CA C 7 62.057 62.057 61.618 0.439 25240 33 1 . 1 1 7 7 VAL CB C 7 33.557 33.557 32.280 1.277 25240 34 1 . 1 1 7 7 VAL H H 7 8.447 8.447 8.429 0.018 25240 35 1 . 1 1 8 8 SER N N 8 124.247 124.247 122.396 1.851 25240 36 1 . 1 1 8 8 SER HA H 8 4.271 4.271 4.539 -0.268 25240 37 1 . 1 1 8 8 SER C C 8 175.892 175.892 175.222 0.670 25240 38 1 . 1 1 8 8 SER CA C 8 58.738 58.738 58.145 0.593 25240 39 1 . 1 1 8 8 SER CB C 8 64.003 64.003 64.551 -0.548 25240 40 1 . 1 1 8 8 SER H H 8 8.816 8.816 8.238 0.578 25240 41 1 . 1 1 9 9 ASP N N 9 125.176 125.176 123.902 1.274 25240 42 1 . 1 1 9 9 ASP HA H 9 4.309 4.309 4.447 -0.138 25240 43 1 . 1 1 9 9 ASP C C 9 178.492 178.492 177.661 0.831 25240 44 1 . 1 1 9 9 ASP CA C 9 57.937 57.937 56.992 0.945 25240 45 1 . 1 1 9 9 ASP CB C 9 40.195 40.195 40.665 -0.470 25240 46 1 . 1 1 9 9 ASP H H 9 9.033 9.033 8.926 0.107 25240 47 1 . 1 1 10 10 VAL N N 10 117.738 117.738 118.828 -1.090 25240 48 1 . 1 1 10 10 VAL HA H 10 4.094 4.094 3.772 0.322 25240 49 1 . 1 1 10 10 VAL C C 10 179.439 179.439 177.676 1.763 25240 50 1 . 1 1 10 10 VAL CA C 10 64.575 64.575 65.664 -1.089 25240 51 1 . 1 1 10 10 VAL CB C 10 31.496 31.496 31.258 0.238 25240 52 1 . 1 1 10 10 VAL H H 10 8.078 8.078 8.104 -0.026 25240 53 1 . 1 1 11 11 CYS N N 11 121.775 121.775 118.132 3.643 25240 54 1 . 1 1 11 11 CYS HA H 11 3.914 3.914 4.377 -0.463 25240 55 1 . 1 1 11 11 CYS C C 11 176.094 176.094 176.522 -0.428 25240 56 1 . 1 1 11 11 CYS CA C 11 63.774 63.774 62.152 1.622 25240 57 1 . 1 1 11 11 CYS CB C 11 27.032 27.032 27.046 -0.014 25240 58 1 . 1 1 11 11 CYS H H 11 7.922 7.922 7.904 0.018 25240 59 1 . 1 1 12 12 LYS N N 12 117.392 117.392 120.818 -3.426 25240 60 1 . 1 1 12 12 LYS HA H 12 3.914 3.914 4.149 -0.235 25240 61 1 . 1 1 12 12 LYS C C 12 179.097 179.097 178.501 0.596 25240 62 1 . 1 1 12 12 LYS CA C 12 59.768 59.768 60.004 -0.236 25240 63 1 . 1 1 12 12 LYS CB C 12 31.954 31.954 32.458 -0.503 25240 64 1 . 1 1 12 12 LYS H H 12 7.010 7.010 7.714 -0.704 25240 65 1 . 1 1 13 13 THR N N 13 114.683 114.683 114.396 0.287 25240 66 1 . 1 1 13 13 THR HA H 13 3.951 3.951 4.134 -0.183 25240 67 1 . 1 1 13 13 THR C C 13 177.424 177.424 176.762 0.662 25240 68 1 . 1 1 13 13 THR CA C 13 66.063 66.063 66.457 -0.394 25240 69 1 . 1 1 13 13 THR CB C 13 67.666 67.666 68.436 -0.770 25240 70 1 . 1 1 13 13 THR H H 13 8.309 8.309 8.265 0.044 25240 71 1 . 1 1 14 14 THR N N 14 118.012 118.012 118.882 -0.870 25240 72 1 . 1 1 14 14 THR HA H 14 4.015 4.015 3.951 0.064 25240 73 1 . 1 1 14 14 THR C C 14 176.316 176.316 175.787 0.529 25240 74 1 . 1 1 14 14 THR CA C 14 67.208 67.208 66.724 0.484 25240 75 1 . 1 1 14 14 THR CB C 14 62.515 62.515 68.676 -6.161 25240 76 1 . 1 1 14 14 THR H H 14 8.138 8.138 7.575 0.563 25240 77 1 . 1 1 15 15 TYR N N 15 120.840 120.840 122.634 -1.794 25240 78 1 . 1 1 15 15 TYR HA H 15 4.137 4.137 4.101 0.036 25240 79 1 . 1 1 15 15 TYR C C 15 177.081 177.081 177.206 -0.125 25240 80 1 . 1 1 15 15 TYR CA C 15 60.684 60.684 61.443 -0.759 25240 81 1 . 1 1 15 15 TYR CB C 15 38.364 38.364 38.279 0.085 25240 82 1 . 1 1 15 15 TYR H H 15 7.740 7.740 8.102 -0.362 25240 83 1 . 1 1 16 16 GLU N N 16 120.605 120.605 118.384 2.221 25240 84 1 . 1 1 16 16 GLU HA H 16 3.535 3.535 3.833 -0.298 25240 85 1 . 1 1 16 16 GLU C C 16 178.673 178.673 178.996 -0.323 25240 86 1 . 1 1 16 16 GLU CA C 16 59.997 59.997 59.494 0.503 25240 87 1 . 1 1 16 16 GLU CB C 16 28.749 28.749 29.160 -0.412 25240 88 1 . 1 1 16 16 GLU H H 16 8.182 8.182 8.369 -0.187 25240 89 1 . 1 1 17 17 GLU N N 17 117.384 117.384 119.598 -2.214 25240 90 1 . 1 1 17 17 GLU HA H 17 4.121 4.121 4.081 0.040 25240 91 1 . 1 1 17 17 GLU C C 17 179.399 179.399 178.989 0.410 25240 92 1 . 1 1 17 17 GLU CA C 17 58.852 58.852 58.799 0.053 25240 93 1 . 1 1 17 17 GLU CB C 17 29.436 29.436 29.731 -0.295 25240 94 1 . 1 1 17 17 GLU H H 17 7.839 7.839 7.606 0.233 25240 95 1 . 1 1 18 18 ILE N N 18 118.004 118.004 119.698 -1.694 25240 96 1 . 1 1 18 18 ILE HA H 18 3.533 3.533 3.909 -0.376 25240 97 1 . 1 1 18 18 ILE C C 18 177.081 177.081 176.949 0.132 25240 98 1 . 1 1 18 18 ILE CA C 18 66.292 66.292 63.954 2.338 25240 99 1 . 1 1 18 18 ILE CB C 18 38.478 38.478 38.105 0.373 25240 100 1 . 1 1 18 18 ILE H H 18 7.558 7.558 7.973 -0.415 25240 101 1 . 1 1 19 19 LYS N N 19 121.213 121.213 117.809 3.405 25240 102 1 . 1 1 19 19 LYS HA H 19 3.649 3.649 4.093 -0.444 25240 103 1 . 1 1 19 19 LYS C C 19 176.719 176.719 177.351 -0.632 25240 104 1 . 1 1 19 19 LYS CA C 19 59.081 59.081 58.273 0.807 25240 105 1 . 1 1 19 19 LYS CB C 19 33.213 33.213 32.277 0.936 25240 106 1 . 1 1 19 19 LYS H H 19 8.387 8.387 7.740 0.647 25240 107 1 . 1 1 20 20 LYS N N 20 115.307 115.307 118.547 -3.240 25240 108 1 . 1 1 20 20 LYS HA H 20 4.121 4.121 4.242 -0.121 25240 109 1 . 1 1 20 20 LYS C C 20 178.008 178.008 177.848 0.160 25240 110 1 . 1 1 20 20 LYS CA C 20 57.937 57.937 57.977 -0.040 25240 111 1 . 1 1 20 20 LYS CB C 20 32.755 32.755 33.412 -0.656 25240 112 1 . 1 1 20 20 LYS H H 20 8.608 8.608 7.420 1.188 25240 113 1 . 1 1 21 21 ASP N N 21 113.556 113.556 117.534 -3.978 25240 114 1 . 1 1 21 21 ASP HA H 21 4.621 4.621 4.693 -0.072 25240 115 1 . 1 1 21 21 ASP C C 21 175.147 175.147 175.419 -0.272 25240 116 1 . 1 1 21 21 ASP CA C 21 54.732 54.732 53.834 0.898 25240 117 1 . 1 1 21 21 ASP CB C 21 42.713 42.713 41.959 0.754 25240 118 1 . 1 1 21 21 ASP H H 21 6.395 6.395 8.088 -1.693 25240 119 1 . 1 1 22 22 LYS N N 22 116.543 116.543 114.994 1.549 25240 120 1 . 1 1 22 22 LYS HA H 22 3.781 3.781 3.933 -0.152 25240 121 1 . 1 1 22 22 LYS C C 22 176.900 176.900 176.387 0.513 25240 122 1 . 1 1 22 22 LYS CA C 22 57.364 57.364 57.703 -0.339 25240 123 1 . 1 1 22 22 LYS CB C 22 28.864 28.864 30.226 -1.362 25240 124 1 . 1 1 22 22 LYS H H 22 7.402 7.402 8.134 -0.731 25240 125 1 . 1 1 23 23 LYS N N 23 114.417 114.417 117.475 -3.058 25240 126 1 . 1 1 23 23 LYS HA H 23 3.554 3.554 4.160 -0.606 25240 127 1 . 1 1 23 23 LYS C C 23 175.106 175.106 176.876 -1.770 25240 128 1 . 1 1 23 23 LYS CA C 23 58.623 58.623 56.843 1.780 25240 129 1 . 1 1 23 23 LYS CB C 23 34.015 34.015 32.417 1.598 25240 130 1 . 1 1 23 23 LYS H H 23 7.512 7.512 7.995 -0.483 25240 131 1 . 1 1 24 24 HIS N N 24 108.361 108.361 117.171 -8.810 25240 132 1 . 1 1 24 24 HIS HA H 24 3.788 3.788 4.663 -0.875 25240 133 1 . 1 1 24 24 HIS C C 24 175.308 175.308 175.007 0.301 25240 134 1 . 1 1 24 24 HIS CA C 24 51.298 51.298 55.887 -4.589 25240 135 1 . 1 1 24 24 HIS CB C 24 32.412 32.412 28.961 3.451 25240 136 1 . 1 1 24 24 HIS H H 24 6.099 6.099 8.060 -1.961 25240 137 1 . 1 1 25 25 ARG N N 25 120.707 120.707 122.441 -1.734 25240 138 1 . 1 1 25 25 ARG HA H 25 4.108 4.108 4.218 -0.110 25240 139 1 . 1 1 25 25 ARG C C 25 173.091 173.091 175.271 -2.180 25240 140 1 . 1 1 25 25 ARG CA C 25 55.189 55.189 57.979 -2.790 25240 141 1 . 1 1 25 25 ARG CB C 25 30.581 30.581 31.590 -1.009 25240 142 1 . 1 1 25 25 ARG H H 25 8.066 8.066 7.962 0.104 25240 143 1 . 1 1 26 26 TYR N N 26 106.634 106.634 113.905 -7.271 25240 144 1 . 1 1 26 26 TYR HA H 26 5.066 5.066 5.144 -0.078 25240 145 1 . 1 1 26 26 TYR C C 26 172.224 172.224 173.148 -0.923 25240 146 1 . 1 1 26 26 TYR CA C 26 54.732 54.732 55.098 -0.367 25240 147 1 . 1 1 26 26 TYR CB C 26 41.111 41.111 40.636 0.475 25240 148 1 . 1 1 26 26 TYR H H 26 6.515 6.515 7.609 -1.094 25240 149 1 . 1 1 27 27 VAL N N 27 116.941 116.941 124.452 -7.511 25240 150 1 . 1 1 27 27 VAL HA H 27 4.763 4.763 4.274 0.489 25240 151 1 . 1 1 27 27 VAL C C 27 173.514 173.514 173.264 0.250 25240 152 1 . 1 1 27 27 VAL CA C 27 59.310 59.310 59.623 -0.313 25240 153 1 . 1 1 27 27 VAL CB C 27 36.189 36.189 34.517 1.672 25240 154 1 . 1 1 27 27 VAL H H 27 8.843 8.843 8.145 0.698 25240 155 1 . 1 1 28 28 ILE N N 28 125.708 125.708 128.826 -3.118 25240 156 1 . 1 1 28 28 ILE HA H 28 5.041 5.041 4.460 0.581 25240 157 1 . 1 1 28 28 ILE C C 28 175.590 175.590 174.744 0.846 25240 158 1 . 1 1 28 28 ILE CA C 28 58.394 58.394 59.461 -1.067 25240 159 1 . 1 1 28 28 ILE CB C 28 38.135 38.135 38.010 0.125 25240 160 1 . 1 1 28 28 ILE H H 28 8.915 8.915 8.760 0.154 25240 161 1 . 1 1 29 29 PHE N N 29 125.649 125.649 126.945 -1.296 25240 162 1 . 1 1 29 29 PHE HA H 29 5.860 5.860 5.189 0.671 25240 163 1 . 1 1 29 29 PHE C C 29 173.958 173.958 175.160 -1.202 25240 164 1 . 1 1 29 29 PHE CA C 29 55.991 55.991 56.509 -0.518 25240 165 1 . 1 1 29 29 PHE CB C 29 42.599 42.599 40.633 1.966 25240 166 1 . 1 1 29 29 PHE H H 29 9.597 9.597 9.142 0.455 25240 167 1 . 1 1 30 30 TYR N N 30 120.134 120.134 122.935 -2.801 25240 168 1 . 1 1 30 30 TYR HA H 30 5.383 5.383 4.813 0.570 25240 169 1 . 1 1 30 30 TYR C C 30 176.840 176.840 173.876 2.964 25240 170 1 . 1 1 30 30 TYR CA C 30 54.503 54.503 56.550 -2.047 25240 171 1 . 1 1 30 30 TYR CB C 30 42.027 42.027 43.046 -1.019 25240 172 1 . 1 1 30 30 TYR H H 30 9.556 9.556 9.075 0.481 25240 173 1 . 1 1 31 31 ILE N N 31 118.577 118.577 124.742 -6.165 25240 174 1 . 1 1 31 31 ILE HA H 31 4.081 4.081 4.383 -0.302 25240 175 1 . 1 1 31 31 ILE C C 31 174.562 174.562 174.892 -0.330 25240 176 1 . 1 1 31 31 ILE CA C 31 61.141 61.141 59.841 1.300 25240 177 1 . 1 1 31 31 ILE CB C 31 37.105 37.105 38.354 -1.249 25240 178 1 . 1 1 31 31 ILE H H 31 8.475 8.475 8.039 0.436 25240 179 1 . 1 1 32 32 ARG N N 32 132.544 132.544 130.609 1.935 25240 180 1 . 1 1 32 32 ARG HA H 32 4.257 4.257 4.423 -0.167 25240 181 1 . 1 1 32 32 ARG C C 32 176.557 176.557 175.686 0.871 25240 182 1 . 1 1 32 32 ARG CA C 32 55.304 55.304 57.000 -1.696 25240 183 1 . 1 1 32 32 ARG CB C 32 31.496 31.496 31.069 0.427 25240 184 1 . 1 1 32 32 ARG H H 32 8.994 8.994 9.039 -0.045 25240 185 1 . 1 1 33 33 ASP N N 33 128.042 128.042 124.463 3.579 25240 186 1 . 1 1 33 33 ASP HA H 33 4.257 4.257 4.292 -0.035 25240 187 1 . 1 1 33 33 ASP C C 33 173.615 173.615 175.506 -1.891 25240 188 1 . 1 1 33 33 ASP CA C 33 55.876 55.876 56.118 -0.242 25240 189 1 . 1 1 33 33 ASP CB C 33 39.966 39.966 40.109 -0.143 25240 190 1 . 1 1 33 33 ASP H H 33 9.442 9.442 9.199 0.243 25240 191 1 . 1 1 34 34 GLU N N 34 108.952 108.952 112.272 -3.320 25240 192 1 . 1 1 34 34 GLU HA H 34 4.533 4.533 3.839 0.694 25240 193 1 . 1 1 34 34 GLU C C 34 174.844 174.844 175.246 -0.402 25240 194 1 . 1 1 34 34 GLU CA C 34 58.394 58.394 57.900 0.494 25240 195 1 . 1 1 34 34 GLU CB C 34 27.605 27.605 28.109 -0.504 25240 196 1 . 1 1 34 34 GLU H H 34 8.532 8.532 8.243 0.289 25240 197 1 . 1 1 35 35 LYS N N 35 114.285 114.285 111.823 2.462 25240 198 1 . 1 1 35 35 LYS HA H 35 4.533 4.533 4.538 -0.005 25240 199 1 . 1 1 35 35 LYS C C 35 175.530 175.530 174.514 1.016 25240 200 1 . 1 1 35 35 LYS CA C 35 57.364 57.364 56.582 0.782 25240 201 1 . 1 1 35 35 LYS CB C 35 36.533 36.533 35.035 1.498 25240 202 1 . 1 1 35 35 LYS H H 35 7.911 7.911 8.031 -0.120 25240 203 1 . 1 1 36 36 GLN N N 36 118.851 118.851 117.189 1.662 25240 204 1 . 1 1 36 36 GLN HA H 36 5.027 5.027 4.918 0.109 25240 205 1 . 1 1 36 36 GLN C C 36 174.139 174.139 174.167 -0.028 25240 206 1 . 1 1 36 36 GLN CA C 36 54.503 54.503 53.924 0.579 25240 207 1 . 1 1 36 36 GLN CB C 36 33.213 33.213 32.991 0.222 25240 208 1 . 1 1 36 36 GLN H H 36 7.483 7.483 8.106 -0.623 25240 209 1 . 1 1 37 37 ILE N N 37 127.682 127.682 119.783 7.899 25240 210 1 . 1 1 37 37 ILE HA H 37 4.295 4.295 4.351 -0.056 25240 211 1 . 1 1 37 37 ILE C C 37 173.333 173.333 175.091 -1.758 25240 212 1 . 1 1 37 37 ILE CA C 37 62.286 62.286 61.709 0.577 25240 213 1 . 1 1 37 37 ILE CB C 37 38.021 38.021 38.762 -0.741 25240 214 1 . 1 1 37 37 ILE H H 37 9.208 9.208 8.929 0.279 25240 215 1 . 1 1 38 38 ASP N N 38 128.702 128.702 126.019 2.683 25240 216 1 . 1 1 38 38 ASP HA H 38 5.037 5.037 5.009 0.028 25240 217 1 . 1 1 38 38 ASP C C 38 175.147 175.147 174.282 0.865 25240 218 1 . 1 1 38 38 ASP CA C 38 51.870 51.870 52.812 -0.942 25240 219 1 . 1 1 38 38 ASP CB C 38 45.918 45.918 45.381 0.537 25240 220 1 . 1 1 38 38 ASP H H 38 9.380 9.380 8.687 0.693 25240 221 1 . 1 1 39 39 VAL N N 39 122.387 122.387 121.709 0.678 25240 222 1 . 1 1 39 39 VAL HA H 39 3.867 3.867 4.581 -0.714 25240 223 1 . 1 1 39 39 VAL C C 39 175.268 175.268 175.433 -0.165 25240 224 1 . 1 1 39 39 VAL CA C 39 63.888 63.888 61.845 2.043 25240 225 1 . 1 1 39 39 VAL CB C 39 33.671 33.671 33.930 -0.259 25240 226 1 . 1 1 39 39 VAL H H 39 8.769 8.769 8.624 0.145 25240 227 1 . 1 1 40 40 GLU N N 40 128.576 128.576 126.482 2.094 25240 228 1 . 1 1 40 40 GLU HA H 40 4.267 4.267 4.531 -0.264 25240 229 1 . 1 1 40 40 GLU C C 40 175.711 175.711 176.281 -0.570 25240 230 1 . 1 1 40 40 GLU CA C 40 57.708 57.708 56.557 1.151 25240 231 1 . 1 1 40 40 GLU CB C 40 32.755 32.755 31.566 1.189 25240 232 1 . 1 1 40 40 GLU H H 40 9.512 9.512 8.655 0.857 25240 233 1 . 1 1 41 41 THR N N 41 111.962 111.962 117.441 -5.479 25240 234 1 . 1 1 41 41 THR HA H 41 4.423 4.423 4.568 -0.145 25240 235 1 . 1 1 41 41 THR C C 41 171.559 171.559 172.213 -0.654 25240 236 1 . 1 1 41 41 THR CA C 41 61.256 61.256 61.946 -0.690 25240 237 1 . 1 1 41 41 THR CB C 41 71.901 71.901 70.679 1.222 25240 238 1 . 1 1 41 41 THR H H 41 7.277 7.277 7.643 -0.365 25240 239 1 . 1 1 42 42 VAL N N 42 123.660 123.660 122.042 1.618 25240 240 1 . 1 1 42 42 VAL HA H 42 4.243 4.243 4.646 -0.403 25240 241 1 . 1 1 42 42 VAL C C 42 173.877 173.877 173.986 -0.109 25240 242 1 . 1 1 42 42 VAL CA C 42 60.684 60.684 59.425 1.259 25240 243 1 . 1 1 42 42 VAL CB C 42 34.015 34.015 34.053 -0.038 25240 244 1 . 1 1 42 42 VAL H H 42 8.264 8.264 8.459 -0.195 25240 245 1 . 1 1 43 43 ALA N N 43 126.970 126.970 128.374 -1.404 25240 246 1 . 1 1 43 43 ALA HA H 43 4.436 4.436 4.703 -0.267 25240 247 1 . 1 1 43 43 ALA C C 43 176.759 176.759 174.808 1.951 25240 248 1 . 1 1 43 43 ALA CA C 43 50.153 50.153 50.714 -0.561 25240 249 1 . 1 1 43 43 ALA CB C 43 20.737 20.737 21.888 -1.151 25240 250 1 . 1 1 43 43 ALA H H 43 7.420 7.420 8.529 -1.109 25240 251 1 . 1 1 44 44 ASP N N 44 120.831 120.831 119.891 0.940 25240 252 1 . 1 1 44 44 ASP HA H 44 4.575 4.575 5.009 -0.434 25240 253 1 . 1 1 44 44 ASP C C 44 175.771 175.771 177.367 -1.596 25240 254 1 . 1 1 44 44 ASP CA C 44 54.159 54.159 52.628 1.531 25240 255 1 . 1 1 44 44 ASP CB C 44 41.798 41.798 43.067 -1.269 25240 256 1 . 1 1 44 44 ASP H H 44 8.285 8.285 8.398 -0.113 25240 257 1 . 1 1 45 45 ARG N N 45 118.015 118.015 118.459 -0.444 25240 258 1 . 1 1 45 45 ARG HA H 45 3.560 3.560 4.203 -0.643 25240 259 1 . 1 1 45 45 ARG C C 45 175.764 175.764 176.860 -1.096 25240 260 1 . 1 1 45 45 ARG CA C 45 56.792 56.792 57.585 -0.793 25240 261 1 . 1 1 45 45 ARG CB C 45 30.008 30.008 29.476 0.532 25240 262 1 . 1 1 45 45 ARG H H 45 8.020 8.020 8.469 -0.449 25240 263 1 . 1 1 46 46 ASN N N 46 113.620 113.620 118.350 -4.730 25240 264 1 . 1 1 46 46 ASN HA H 46 4.654 4.654 4.557 0.097 25240 265 1 . 1 1 46 46 ASN C C 46 175.090 175.090 175.248 -0.158 25240 266 1 . 1 1 46 46 ASN CA C 46 52.900 52.900 54.590 -1.690 25240 267 1 . 1 1 46 46 ASN CB C 46 37.792 37.792 38.931 -1.139 25240 268 1 . 1 1 46 46 ASN H H 46 8.184 8.184 8.336 -0.152 25240 269 1 . 1 1 47 47 ALA N N 47 124.076 124.076 122.518 1.558 25240 270 1 . 1 1 47 47 ALA HA H 47 4.207 4.207 4.593 -0.386 25240 271 1 . 1 1 47 47 ALA C C 47 176.472 176.472 176.172 0.300 25240 272 1 . 1 1 47 47 ALA CA C 47 53.015 53.015 51.210 1.805 25240 273 1 . 1 1 47 47 ALA CB C 47 20.966 20.966 20.429 0.537 25240 274 1 . 1 1 47 47 ALA H H 47 7.515 7.515 7.450 0.065 25240 275 1 . 1 1 48 48 GLU N N 48 117.871 117.871 121.628 -3.758 25240 276 1 . 1 1 48 48 GLU HA H 48 4.778 4.778 4.239 0.539 25240 277 1 . 1 1 48 48 GLU C C 48 178.259 178.259 176.809 1.450 25240 278 1 . 1 1 48 48 GLU CA C 48 54.732 54.732 54.554 0.179 25240 279 1 . 1 1 48 48 GLU CB C 48 32.755 32.755 31.083 1.672 25240 280 1 . 1 1 48 48 GLU H H 48 8.327 8.327 8.411 -0.084 25240 281 1 . 1 1 49 49 TYR N N 49 122.704 122.704 119.378 3.326 25240 282 1 . 1 1 49 49 TYR HA H 49 3.835 3.835 4.296 -0.461 25240 283 1 . 1 1 49 49 TYR C C 49 176.809 176.809 177.618 -0.809 25240 284 1 . 1 1 49 49 TYR CA C 49 62.744 62.744 61.905 0.839 25240 285 1 . 1 1 49 49 TYR CB C 49 38.250 38.250 37.867 0.383 25240 286 1 . 1 1 49 49 TYR H H 49 9.164 9.164 8.507 0.657 25240 287 1 . 1 1 50 50 ASP N N 50 114.152 114.152 118.246 -4.094 25240 288 1 . 1 1 50 50 ASP HA H 50 4.137 4.137 4.332 -0.195 25240 289 1 . 1 1 50 50 ASP C C 50 178.832 178.832 178.488 0.344 25240 290 1 . 1 1 50 50 ASP CA C 50 57.364 57.364 58.172 -0.808 25240 291 1 . 1 1 50 50 ASP CB C 50 39.737 39.737 40.136 -0.399 25240 292 1 . 1 1 50 50 ASP H H 50 8.516 8.516 8.793 -0.277 25240 293 1 . 1 1 51 51 GLN N N 51 120.262 120.262 118.908 1.354 25240 294 1 . 1 1 51 51 GLN HA H 51 3.912 3.912 4.074 -0.162 25240 295 1 . 1 1 51 51 GLN C C 51 177.180 177.180 178.408 -1.228 25240 296 1 . 1 1 51 51 GLN CA C 51 58.852 58.852 58.505 0.347 25240 297 1 . 1 1 51 51 GLN CB C 51 28.864 28.864 28.692 0.172 25240 298 1 . 1 1 51 51 GLN H H 51 7.290 7.290 7.638 -0.348 25240 299 1 . 1 1 52 52 PHE N N 52 121.864 121.864 120.170 1.695 25240 300 1 . 1 1 52 52 PHE HA H 52 3.247 3.247 4.245 -0.998 25240 301 1 . 1 1 52 52 PHE C C 52 175.697 175.697 177.429 -1.732 25240 302 1 . 1 1 52 52 PHE CA C 52 60.569 60.569 60.645 -0.076 25240 303 1 . 1 1 52 52 PHE CB C 52 38.593 38.593 38.503 0.090 25240 304 1 . 1 1 52 52 PHE H H 52 6.926 6.926 7.703 -0.777 25240 305 1 . 1 1 53 53 LEU N N 53 116.512 116.512 119.683 -3.171 25240 306 1 . 1 1 53 53 LEU HA H 53 3.193 3.193 3.813 -0.620 25240 307 1 . 1 1 53 53 LEU C C 53 179.877 179.877 178.671 1.206 25240 308 1 . 1 1 53 53 LEU CA C 53 56.449 56.449 57.735 -1.286 25240 309 1 . 1 1 53 53 LEU CB C 53 41.340 41.340 41.051 0.289 25240 310 1 . 1 1 53 53 LEU H H 53 7.382 7.382 7.801 -0.419 25240 311 1 . 1 1 54 54 GLU N N 54 119.308 119.308 119.165 0.143 25240 312 1 . 1 1 54 54 GLU HA H 54 3.658 3.658 3.939 -0.281 25240 313 1 . 1 1 54 54 GLU C C 54 179.371 179.371 178.667 0.704 25240 314 1 . 1 1 54 54 GLU CA C 54 59.244 59.244 59.262 -0.018 25240 315 1 . 1 1 54 54 GLU CB C 54 28.978 28.978 29.218 -0.240 25240 316 1 . 1 1 54 54 GLU H H 54 7.275 7.275 8.029 -0.754 25240 317 1 . 1 1 55 55 ASP N N 55 119.986 119.986 119.138 0.848 25240 318 1 . 1 1 55 55 ASP HA H 55 4.313 4.313 4.429 -0.116 25240 319 1 . 1 1 55 55 ASP C C 55 179.573 179.573 178.687 0.886 25240 320 1 . 1 1 55 55 ASP CA C 55 57.364 57.364 57.205 0.159 25240 321 1 . 1 1 55 55 ASP CB C 55 40.195 40.195 41.052 -0.857 25240 322 1 . 1 1 55 55 ASP H H 55 8.354 8.354 7.956 0.399 25240 323 1 . 1 1 56 56 ILE N N 56 121.615 121.615 117.192 4.423 25240 324 1 . 1 1 56 56 ILE HA H 56 3.473 3.473 3.760 -0.287 25240 325 1 . 1 1 56 56 ILE C C 56 173.674 173.674 177.406 -3.732 25240 326 1 . 1 1 56 56 ILE CA C 56 64.461 64.461 63.744 0.717 25240 327 1 . 1 1 56 56 ILE CB C 56 36.762 36.762 37.443 -0.681 25240 328 1 . 1 1 56 56 ILE H H 56 8.093 8.093 7.444 0.648 25240 329 1 . 1 1 57 57 GLN N N 57 113.032 113.032 118.292 -5.260 25240 330 1 . 1 1 57 57 GLN HA H 57 4.147 4.147 4.059 0.087 25240 331 1 . 1 1 57 57 GLN C C 57 178.899 178.899 177.246 1.653 25240 332 1 . 1 1 57 57 GLN CA C 57 55.991 55.991 57.866 -1.875 25240 333 1 . 1 1 57 57 GLN CB C 57 31.954 31.954 28.473 3.482 25240 334 1 . 1 1 57 57 GLN H H 57 6.377 6.377 7.788 -1.411 25240 335 1 . 1 1 58 58 LYS N N 58 122.152 122.152 117.180 4.972 25240 336 1 . 1 1 58 58 LYS HA H 58 3.842 3.842 4.191 -0.349 25240 337 1 . 1 1 58 58 LYS C C 58 176.674 176.674 177.502 -0.828 25240 338 1 . 1 1 58 58 LYS CA C 58 59.424 59.424 57.774 1.650 25240 339 1 . 1 1 58 58 LYS CB C 58 32.069 32.069 32.135 -0.066 25240 340 1 . 1 1 58 58 LYS H H 58 7.280 7.280 7.854 -0.574 25240 341 1 . 1 1 59 59 CYS N N 59 116.543 116.543 118.544 -2.002 25240 342 1 . 1 1 59 59 CYS HA H 59 4.146 4.146 4.383 -0.237 25240 343 1 . 1 1 59 59 CYS C C 59 175.056 175.056 175.018 0.037 25240 344 1 . 1 1 59 59 CYS CA C 59 58.623 58.623 59.793 -1.170 25240 345 1 . 1 1 59 59 CYS CB C 59 26.918 26.918 29.108 -2.190 25240 346 1 . 1 1 59 59 CYS H H 59 7.784 7.784 7.650 0.133 25240 347 1 . 1 1 60 60 GLY N N 60 109.550 109.550 107.133 2.417 25240 348 1 . 1 1 60 60 GLY CA C 60 42.318 42.318 44.991 -2.673 25240 349 1 . 1 1 60 60 GLY H H 60 7.542 7.542 7.517 0.025 25240 350 1 . 1 1 61 61 PRO HA H 61 4.228 4.228 4.665 -0.437 25240 351 1 . 1 1 61 61 PRO C C 61 177.079 177.079 177.215 -0.136 25240 352 1 . 1 1 61 61 PRO CA C 61 64.117 64.117 63.669 0.448 25240 353 1 . 1 1 61 61 PRO CB C 61 31.496 31.496 32.266 -0.770 25240 354 1 . 1 1 62 62 GLY N N 62 106.490 106.490 106.761 -0.271 25240 355 1 . 1 1 62 62 GLY C C 62 174.011 174.011 173.347 0.663 25240 356 1 . 1 1 62 62 GLY CA C 62 45.117 45.117 44.405 0.712 25240 357 1 . 1 1 62 62 GLY H H 62 8.479 8.479 8.340 0.139 25240 358 1 . 1 1 63 63 GLU N N 63 119.465 119.465 117.973 1.492 25240 359 1 . 1 1 63 63 GLU HA H 63 4.298 4.298 4.645 -0.347 25240 360 1 . 1 1 63 63 GLU C C 63 173.775 173.775 174.529 -0.754 25240 361 1 . 1 1 63 63 GLU CA C 63 54.961 54.961 54.369 0.592 25240 362 1 . 1 1 63 63 GLU CB C 63 33.557 33.557 33.328 0.229 25240 363 1 . 1 1 63 63 GLU H H 63 7.001 7.001 7.588 -0.588 25240 364 1 . 1 1 64 64 CYS N N 64 111.402 111.402 118.700 -7.298 25240 365 1 . 1 1 64 64 CYS HA H 64 4.509 4.509 5.157 -0.648 25240 366 1 . 1 1 64 64 CYS C C 64 173.371 173.371 174.074 -0.703 25240 367 1 . 1 1 64 64 CYS CA C 64 55.647 55.647 56.820 -1.173 25240 368 1 . 1 1 64 64 CYS CB C 64 31.267 31.267 29.860 1.407 25240 369 1 . 1 1 64 64 CYS H H 64 6.622 6.622 8.522 -1.900 25240 370 1 . 1 1 65 65 ARG N N 65 117.835 117.835 121.174 -3.339 25240 371 1 . 1 1 65 65 ARG HA H 65 4.674 4.674 4.761 -0.087 25240 372 1 . 1 1 65 65 ARG C C 65 174.820 174.820 174.527 0.293 25240 373 1 . 1 1 65 65 ARG CA C 65 53.587 53.587 54.542 -0.955 25240 374 1 . 1 1 65 65 ARG CB C 65 39.737 39.737 33.050 6.687 25240 375 1 . 1 1 65 65 ARG H H 65 8.621 8.621 8.896 -0.275 25240 376 1 . 1 1 66 66 TYR N N 66 114.314 114.314 119.286 -4.972 25240 377 1 . 1 1 66 66 TYR HA H 66 6.075 6.075 5.559 0.516 25240 378 1 . 1 1 66 66 TYR C C 66 176.068 176.068 175.518 0.551 25240 379 1 . 1 1 66 66 TYR CA C 66 54.846 54.846 55.651 -0.805 25240 380 1 . 1 1 66 66 TYR CB C 66 41.798 41.798 41.541 0.256 25240 381 1 . 1 1 66 66 TYR H H 66 8.256 8.256 8.518 -0.262 25240 382 1 . 1 1 67 67 GLY N N 67 107.717 107.717 107.376 0.342 25240 383 1 . 1 1 67 67 GLY C C 67 170.135 170.135 171.898 -1.763 25240 384 1 . 1 1 67 67 GLY CA C 67 45.575 45.575 44.775 0.800 25240 385 1 . 1 1 67 67 GLY H H 67 9.831 9.831 9.023 0.808 25240 386 1 . 1 1 68 68 LEU N N 68 127.494 127.494 125.146 2.348 25240 387 1 . 1 1 68 68 LEU HA H 68 5.494 5.494 5.415 0.079 25240 388 1 . 1 1 68 68 LEU C C 68 173.674 173.674 174.509 -0.835 25240 389 1 . 1 1 68 68 LEU CA C 68 53.324 53.324 53.724 -0.400 25240 390 1 . 1 1 68 68 LEU CB C 68 47.177 47.177 44.635 2.542 25240 391 1 . 1 1 68 68 LEU H H 68 9.391 9.391 8.573 0.818 25240 392 1 . 1 1 69 69 PHE N N 69 126.775 126.775 128.454 -1.679 25240 393 1 . 1 1 69 69 PHE HA H 69 4.503 4.503 5.488 -0.985 25240 394 1 . 1 1 69 69 PHE C C 69 172.629 172.629 173.743 -1.114 25240 395 1 . 1 1 69 69 PHE CA C 69 56.334 56.334 55.310 1.024 25240 396 1 . 1 1 69 69 PHE CB C 69 43.744 43.744 42.543 1.201 25240 397 1 . 1 1 69 69 PHE H H 69 8.017 8.017 9.424 -1.407 25240 398 1 . 1 1 70 70 ASP N N 70 126.639 126.639 129.354 -2.715 25240 399 1 . 1 1 70 70 ASP HA H 70 4.791 4.791 5.364 -0.573 25240 400 1 . 1 1 70 70 ASP C C 70 172.764 172.764 174.838 -2.074 25240 401 1 . 1 1 70 70 ASP CA C 70 53.129 53.129 52.727 0.402 25240 402 1 . 1 1 70 70 ASP CB C 70 40.653 40.653 42.738 -2.085 25240 403 1 . 1 1 70 70 ASP H H 70 7.087 7.087 8.682 -1.595 25240 404 1 . 1 1 71 71 PHE N N 71 129.107 129.107 121.933 7.174 25240 405 1 . 1 1 71 71 PHE HA H 71 4.696 4.696 5.187 -0.491 25240 406 1 . 1 1 71 71 PHE C C 71 174.315 174.315 173.635 0.680 25240 407 1 . 1 1 71 71 PHE CA C 71 58.852 58.852 55.956 2.896 25240 408 1 . 1 1 71 71 PHE CB C 71 42.713 42.713 41.988 0.725 25240 409 1 . 1 1 71 71 PHE H H 71 8.656 8.656 7.855 0.801 25240 410 1 . 1 1 72 72 GLU N N 72 126.483 126.483 121.943 4.540 25240 411 1 . 1 1 72 72 GLU HA H 72 5.151 5.151 4.669 0.482 25240 412 1 . 1 1 72 72 GLU C C 72 175.090 175.090 175.037 0.053 25240 413 1 . 1 1 72 72 GLU CA C 72 54.732 54.732 55.597 -0.865 25240 414 1 . 1 1 72 72 GLU CB C 72 31.840 31.840 29.470 2.370 25240 415 1 . 1 1 72 72 GLU H H 72 8.134 8.134 8.799 -0.665 25240 416 1 . 1 1 73 73 TYR N N 73 120.527 120.527 126.933 -6.406 25240 417 1 . 1 1 73 73 TYR HA H 73 4.675 4.675 4.940 -0.265 25240 418 1 . 1 1 73 73 TYR C C 73 172.966 172.966 174.452 -1.486 25240 419 1 . 1 1 73 73 TYR CA C 73 55.991 55.991 57.254 -1.263 25240 420 1 . 1 1 73 73 TYR CB C 73 39.509 39.509 41.721 -2.212 25240 421 1 . 1 1 73 73 TYR H H 73 8.504 8.504 8.705 -0.201 25240 422 1 . 1 1 74 74 MET N N 74 118.604 118.604 124.502 -5.898 25240 423 1 . 1 1 74 74 MET HA H 74 4.729 4.729 5.095 -0.366 25240 424 1 . 1 1 74 74 MET C C 74 176.000 176.000 174.467 1.533 25240 425 1 . 1 1 74 74 MET CA C 74 53.930 53.930 54.604 -0.674 25240 426 1 . 1 1 74 74 MET CB C 74 32.412 32.412 34.031 -1.619 25240 427 1 . 1 1 74 74 MET H H 74 8.752 8.752 8.388 0.364 25240 428 1 . 1 1 75 75 HIS N N 75 123.810 123.810 122.120 1.689 25240 429 1 . 1 1 75 75 HIS HA H 75 4.675 4.675 4.840 -0.165 25240 430 1 . 1 1 75 75 HIS C C 75 174.112 174.112 174.058 0.054 25240 431 1 . 1 1 75 75 HIS CA C 75 55.762 55.762 55.274 0.488 25240 432 1 . 1 1 75 75 HIS CB C 75 32.755 32.755 33.048 -0.293 25240 433 1 . 1 1 75 75 HIS H H 75 8.902 8.902 8.454 0.448 25240 434 1 . 1 1 76 76 GLN N N 76 125.324 125.324 123.719 1.605 25240 435 1 . 1 1 76 76 GLN HA H 76 4.296 4.296 4.502 -0.206 25240 436 1 . 1 1 76 76 GLN C C 76 175.056 175.056 175.106 -0.050 25240 437 1 . 1 1 76 76 GLN CA C 76 55.189 55.189 55.494 -0.305 25240 438 1 . 1 1 76 76 GLN CB C 76 29.551 29.551 29.242 0.309 25240 439 1 . 1 1 76 76 GLN H H 76 8.292 8.292 8.553 -0.261 25240 440 1 . 1 1 77 77 CYS N N 77 123.013 123.013 123.183 -0.170 25240 441 1 . 1 1 77 77 CYS HA H 77 4.296 4.296 4.656 -0.360 25240 442 1 . 1 1 77 77 CYS C C 77 174.719 174.719 174.986 -0.267 25240 443 1 . 1 1 77 77 CYS CA C 77 58.738 58.738 58.412 0.326 25240 444 1 . 1 1 77 77 CYS CB C 77 27.948 27.948 29.451 -1.503 25240 445 1 . 1 1 77 77 CYS H H 77 8.420 8.420 8.509 -0.089 25240 446 1 . 1 1 78 78 GLN N N 78 123.960 123.960 123.063 0.897 25240 447 1 . 1 1 78 78 GLN HA H 78 4.100 4.100 3.939 0.161 25240 448 1 . 1 1 78 78 GLN C C 78 176.910 176.910 175.599 1.312 25240 449 1 . 1 1 78 78 GLN CA C 78 57.021 57.021 57.019 0.002 25240 450 1 . 1 1 78 78 GLN CB C 78 28.635 28.635 27.439 1.196 25240 451 1 . 1 1 78 78 GLN H H 78 8.658 8.658 9.169 -0.511 25240 452 1 . 1 1 79 79 GLY N N 79 111.173 111.173 104.562 6.611 25240 453 1 . 1 1 79 79 GLY C C 79 174.315 174.315 174.626 -0.311 25240 454 1 . 1 1 79 79 GLY CA C 79 45.460 45.460 45.172 0.288 25240 455 1 . 1 1 79 79 GLY H H 79 8.636 8.636 8.389 0.247 25240 456 1 . 1 1 80 80 THR N N 80 111.761 111.761 118.128 -6.367 25240 457 1 . 1 1 80 80 THR HA H 80 4.483 4.483 4.355 0.128 25240 458 1 . 1 1 80 80 THR C C 80 174.483 174.483 174.554 -0.071 25240 459 1 . 1 1 80 80 THR CA C 80 60.912 60.912 62.355 -1.443 25240 460 1 . 1 1 80 80 THR CB C 80 70.413 70.413 69.482 0.931 25240 461 1 . 1 1 80 80 THR H H 80 7.730 7.730 7.711 0.019 25240 462 1 . 1 1 81 81 SER N N 81 116.277 116.277 122.568 -6.291 25240 463 1 . 1 1 81 81 SER HA H 81 3.810 3.810 4.414 -0.604 25240 464 1 . 1 1 81 81 SER C C 81 174.517 174.517 174.899 -0.382 25240 465 1 . 1 1 81 81 SER CA C 81 58.738 58.738 58.649 0.089 25240 466 1 . 1 1 81 81 SER CB C 81 63.545 63.545 62.150 1.395 25240 467 1 . 1 1 81 81 SER H H 81 8.312 8.312 8.843 -0.531 25240 468 1 . 1 1 82 82 GLU N N 82 121.911 121.911 123.277 -1.366 25240 469 1 . 1 1 82 82 GLU HA H 82 4.249 4.249 4.245 0.004 25240 470 1 . 1 1 82 82 GLU C C 82 176.202 176.202 176.450 -0.249 25240 471 1 . 1 1 82 82 GLU CA C 82 56.449 56.449 56.865 -0.416 25240 472 1 . 1 1 82 82 GLU CB C 82 30.695 30.695 29.840 0.855 25240 473 1 . 1 1 82 82 GLU H H 82 8.058 8.058 8.299 -0.241 25240 474 1 . 1 1 83 83 SER N N 83 117.340 117.340 113.659 3.681 25240 475 1 . 1 1 83 83 SER HA H 83 4.292 4.292 4.118 0.174 25240 476 1 . 1 1 83 83 SER C C 83 174.146 174.146 173.383 0.763 25240 477 1 . 1 1 83 83 SER CA C 83 58.165 58.165 58.725 -0.560 25240 478 1 . 1 1 83 83 SER CB C 83 64.461 64.461 62.161 2.300 25240 479 1 . 1 1 83 83 SER H H 83 8.355 8.355 8.204 0.151 25240 480 1 . 1 1 84 84 SER N N 84 117.340 117.340 117.513 -0.172 25240 481 1 . 1 1 84 84 SER HA H 84 4.734 4.734 4.281 0.453 25240 482 1 . 1 1 84 84 SER C C 84 173.236 173.236 174.418 -1.182 25240 483 1 . 1 1 84 84 SER CA C 84 57.708 57.708 59.239 -1.531 25240 484 1 . 1 1 84 84 SER CB C 84 64.919 64.919 63.345 1.574 25240 485 1 . 1 1 84 84 SER H H 84 8.435 8.435 8.132 0.303 25240 486 1 . 1 1 85 85 LYS N N 85 123.283 123.283 127.939 -4.656 25240 487 1 . 1 1 85 85 LYS HA H 85 4.455 4.455 4.507 -0.052 25240 488 1 . 1 1 85 85 LYS C C 85 176.236 176.236 175.723 0.513 25240 489 1 . 1 1 85 85 LYS CA C 85 56.677 56.677 56.028 0.648 25240 490 1 . 1 1 85 85 LYS CB C 85 32.755 32.755 32.886 -0.131 25240 491 1 . 1 1 85 85 LYS H H 85 8.274 8.274 8.364 -0.090 25240 492 1 . 1 1 86 86 LYS N N 86 125.176 125.176 126.841 -1.665 25240 493 1 . 1 1 86 86 LYS HA H 86 4.305 4.305 4.561 -0.256 25240 494 1 . 1 1 86 86 LYS C C 86 174.753 174.753 175.237 -0.484 25240 495 1 . 1 1 86 86 LYS CA C 86 54.388 54.388 54.738 -0.350 25240 496 1 . 1 1 86 86 LYS CB C 86 34.358 34.358 35.114 -0.756 25240 497 1 . 1 1 86 86 LYS H H 86 8.590 8.590 8.503 0.086 25240 498 1 . 1 1 87 87 GLN N N 87 118.903 118.903 124.517 -5.614 25240 499 1 . 1 1 87 87 GLN HA H 87 5.169 5.169 4.692 0.477 25240 500 1 . 1 1 87 87 GLN C C 87 175.562 175.562 175.418 0.144 25240 501 1 . 1 1 87 87 GLN CA C 87 54.617 54.617 55.375 -0.758 25240 502 1 . 1 1 87 87 GLN CB C 87 30.695 30.695 28.921 1.775 25240 503 1 . 1 1 87 87 GLN H H 87 7.946 7.946 8.657 -0.711 25240 504 1 . 1 1 88 88 LYS N N 88 124.114 124.114 124.842 -0.728 25240 505 1 . 1 1 88 88 LYS HA H 88 4.638 4.638 4.433 0.205 25240 506 1 . 1 1 88 88 LYS C C 88 174.449 174.449 174.596 -0.147 25240 507 1 . 1 1 88 88 LYS CA C 88 55.418 55.418 54.768 0.650 25240 508 1 . 1 1 88 88 LYS CB C 88 36.876 36.876 34.998 1.877 25240 509 1 . 1 1 88 88 LYS H H 88 9.258 9.258 8.396 0.862 25240 510 1 . 1 1 89 89 LEU N N 89 123.968 123.968 123.869 0.099 25240 511 1 . 1 1 89 89 LEU HA H 89 5.120 5.120 5.031 0.089 25240 512 1 . 1 1 89 89 LEU C C 89 176.843 176.843 176.129 0.714 25240 513 1 . 1 1 89 89 LEU CA C 89 54.617 54.617 54.456 0.161 25240 514 1 . 1 1 89 89 LEU CB C 89 43.972 43.972 42.417 1.555 25240 515 1 . 1 1 89 89 LEU H H 89 8.318 8.318 8.513 -0.195 25240 516 1 . 1 1 90 90 PHE N N 90 118.366 118.366 121.765 -3.399 25240 517 1 . 1 1 90 90 PHE HA H 90 5.447 5.447 5.392 0.055 25240 518 1 . 1 1 90 90 PHE C C 90 171.786 171.786 174.443 -2.657 25240 519 1 . 1 1 90 90 PHE CA C 90 55.189 55.189 56.240 -1.051 25240 520 1 . 1 1 90 90 PHE CB C 90 43.286 43.286 42.459 0.827 25240 521 1 . 1 1 90 90 PHE H H 90 8.465 8.465 9.125 -0.660 25240 522 1 . 1 1 91 91 LEU N N 91 121.719 121.719 125.267 -3.548 25240 523 1 . 1 1 91 91 LEU HA H 91 5.505 5.505 5.548 -0.043 25240 524 1 . 1 1 91 91 LEU C C 91 174.449 174.449 175.411 -0.962 25240 525 1 . 1 1 91 91 LEU CA C 91 52.900 52.900 53.540 -0.640 25240 526 1 . 1 1 91 91 LEU CB C 91 47.177 47.177 45.540 1.637 25240 527 1 . 1 1 91 91 LEU H H 91 8.437 8.437 9.465 -1.028 25240 528 1 . 1 1 92 92 MET N N 92 126.389 126.389 124.442 1.947 25240 529 1 . 1 1 92 92 MET HA H 92 6.176 6.176 5.974 0.202 25240 530 1 . 1 1 92 92 MET C C 92 176.169 176.169 175.219 0.950 25240 531 1 . 1 1 92 92 MET CA C 92 53.015 53.015 53.735 -0.720 25240 532 1 . 1 1 92 92 MET CB C 92 39.623 39.623 35.847 3.775 25240 533 1 . 1 1 92 92 MET H H 92 10.273 10.273 9.111 1.162 25240 534 1 . 1 1 93 93 SER N N 93 120.841 120.841 118.986 1.855 25240 535 1 . 1 1 93 93 SER HA H 93 4.885 4.885 5.117 -0.232 25240 536 1 . 1 1 93 93 SER C C 93 172.225 172.225 173.862 -1.637 25240 537 1 . 1 1 93 93 SER CA C 93 56.563 56.563 57.785 -1.222 25240 538 1 . 1 1 93 93 SER CB C 93 63.545 63.545 64.413 -0.869 25240 539 1 . 1 1 93 93 SER H H 93 9.038 9.038 9.035 0.003 25240 540 1 . 1 1 94 94 TRP N N 94 129.918 129.918 131.460 -1.542 25240 541 1 . 1 1 94 94 TRP HA H 94 5.147 5.147 5.270 -0.123 25240 542 1 . 1 1 94 94 TRP C C 94 173.270 173.270 174.915 -1.645 25240 543 1 . 1 1 94 94 TRP CA C 94 54.961 54.961 56.494 -1.533 25240 544 1 . 1 1 94 94 TRP CB C 94 30.695 30.695 29.868 0.827 25240 545 1 . 1 1 94 94 TRP H H 94 9.001 9.001 8.908 0.093 25240 546 1 . 1 1 95 95 CYS N N 95 122.538 122.538 125.792 -3.254 25240 547 1 . 1 1 95 95 CYS HA H 95 4.821 4.821 4.886 -0.065 25240 548 1 . 1 1 95 95 CYS CA C 95 53.813 53.813 55.890 -2.078 25240 549 1 . 1 1 95 95 CYS H H 95 7.319 7.319 8.948 -1.629 25240 550 1 . 1 1 96 96 PRO HA H 96 3.819 3.819 4.476 -0.657 25240 551 1 . 1 1 96 96 PRO C C 96 177.888 177.888 176.878 1.010 25240 552 1 . 1 1 96 96 PRO CA C 96 61.828 61.828 63.312 -1.484 25240 553 1 . 1 1 96 96 PRO CB C 96 31.840 31.840 31.645 0.195 25240 554 1 . 1 1 97 97 ASP N N 97 118.960 118.960 123.684 -4.723 25240 555 1 . 1 1 97 97 ASP HA H 97 4.058 4.058 4.367 -0.309 25240 556 1 . 1 1 97 97 ASP C C 97 176.809 176.809 176.816 -0.007 25240 557 1 . 1 1 97 97 ASP CA C 97 56.906 56.906 56.420 0.486 25240 558 1 . 1 1 97 97 ASP CB C 97 40.882 40.882 40.917 -0.035 25240 559 1 . 1 1 97 97 ASP H H 97 8.040 8.040 8.539 -0.499 25240 560 1 . 1 1 98 98 THR N N 98 104.267 104.267 111.490 -7.223 25240 561 1 . 1 1 98 98 THR HA H 98 3.856 3.856 4.328 -0.472 25240 562 1 . 1 1 98 98 THR C C 98 174.921 174.921 174.207 0.714 25240 563 1 . 1 1 98 98 THR CA C 98 61.599 61.599 62.166 -0.567 25240 564 1 . 1 1 98 98 THR CB C 98 68.925 68.925 68.555 0.370 25240 565 1 . 1 1 98 98 THR H H 98 6.917 6.917 7.952 -1.035 25240 566 1 . 1 1 99 99 ALA N N 99 125.807 125.807 124.393 1.414 25240 567 1 . 1 1 99 99 ALA HA H 99 4.016 4.016 4.421 -0.405 25240 568 1 . 1 1 99 99 ALA C C 99 177.045 177.045 176.480 0.565 25240 569 1 . 1 1 99 99 ALA CA C 99 52.099 52.099 51.604 0.495 25240 570 1 . 1 1 99 99 ALA CB C 99 19.020 19.020 19.863 -0.843 25240 571 1 . 1 1 99 99 ALA H H 99 7.496 7.496 7.381 0.115 25240 572 1 . 1 1 100 100 LYS N N 100 119.465 119.465 120.497 -1.032 25240 573 1 . 1 1 100 100 LYS HA H 100 4.085 4.085 4.238 -0.153 25240 574 1 . 1 1 100 100 LYS C C 100 178.832 178.832 177.514 1.318 25240 575 1 . 1 1 100 100 LYS CA C 100 56.334 56.334 56.174 0.160 25240 576 1 . 1 1 100 100 LYS CB C 100 32.527 32.527 32.869 -0.342 25240 577 1 . 1 1 100 100 LYS H H 100 8.271 8.271 8.170 0.101 25240 578 1 . 1 1 101 101 VAL N N 101 123.351 123.351 124.972 -1.621 25240 579 1 . 1 1 101 101 VAL HA H 101 3.397 3.397 3.766 -0.369 25240 580 1 . 1 1 101 101 VAL C C 101 177.584 177.584 177.179 0.405 25240 581 1 . 1 1 101 101 VAL CA C 101 66.979 66.979 65.423 1.556 25240 582 1 . 1 1 101 101 VAL CB C 101 31.496 31.496 31.909 -0.413 25240 583 1 . 1 1 101 101 VAL H H 101 8.518 8.518 8.674 -0.156 25240 584 1 . 1 1 102 102 LYS N N 102 118.249 118.249 119.090 -0.841 25240 585 1 . 1 1 102 102 LYS HA H 102 3.931 3.931 4.129 -0.198 25240 586 1 . 1 1 102 102 LYS C C 102 179.540 179.540 178.652 0.888 25240 587 1 . 1 1 102 102 LYS CA C 102 59.882 59.882 58.819 1.063 25240 588 1 . 1 1 102 102 LYS CB C 102 32.298 32.298 31.731 0.567 25240 589 1 . 1 1 102 102 LYS H H 102 8.558 8.558 8.331 0.227 25240 590 1 . 1 1 103 103 LYS N N 103 118.668 118.668 119.661 -0.993 25240 591 1 . 1 1 103 103 LYS HA H 103 4.118 4.118 4.169 -0.051 25240 592 1 . 1 1 103 103 LYS C C 103 177.921 177.921 178.606 -0.685 25240 593 1 . 1 1 103 103 LYS CA C 103 58.394 58.394 59.168 -0.774 25240 594 1 . 1 1 103 103 LYS CB C 103 31.840 31.840 32.443 -0.604 25240 595 1 . 1 1 103 103 LYS H H 103 6.854 6.854 7.962 -1.108 25240 596 1 . 1 1 104 104 LYS N N 104 119.199 119.199 118.931 0.268 25240 597 1 . 1 1 104 104 LYS HA H 104 3.894 3.894 4.320 -0.426 25240 598 1 . 1 1 104 104 LYS C C 104 180.011 180.011 178.667 1.344 25240 599 1 . 1 1 104 104 LYS CA C 104 60.684 60.684 58.506 2.178 25240 600 1 . 1 1 104 104 LYS CB C 104 31.725 31.725 31.731 -0.006 25240 601 1 . 1 1 104 104 LYS H H 104 8.048 8.048 8.050 -0.002 25240 602 1 . 1 1 105 105 MET N N 105 118.021 118.021 119.939 -1.918 25240 603 1 . 1 1 105 105 MET HA H 105 4.121 4.121 4.310 -0.189 25240 604 1 . 1 1 105 105 MET C C 105 178.899 178.899 177.684 1.215 25240 605 1 . 1 1 105 105 MET CA C 105 58.509 58.509 57.341 1.168 25240 606 1 . 1 1 105 105 MET CB C 105 32.069 32.069 32.308 -0.239 25240 607 1 . 1 1 105 105 MET H H 105 8.546 8.546 7.732 0.814 25240 608 1 . 1 1 106 106 LEU N N 106 122.895 122.895 117.695 5.200 25240 609 1 . 1 1 106 106 LEU HA H 106 4.036 4.036 4.082 -0.045 25240 610 1 . 1 1 106 106 LEU C C 106 179.910 179.910 179.121 0.789 25240 611 1 . 1 1 106 106 LEU CA C 106 58.165 58.165 57.734 0.431 25240 612 1 . 1 1 106 106 LEU CB C 106 41.912 41.912 40.632 1.280 25240 613 1 . 1 1 106 106 LEU H H 106 7.674 7.674 7.644 0.030 25240 614 1 . 1 1 107 107 TYR N N 107 119.036 119.036 119.012 0.024 25240 615 1 . 1 1 107 107 TYR HA H 107 4.034 4.034 4.484 -0.450 25240 616 1 . 1 1 107 107 TYR C C 107 181.360 181.360 177.584 3.776 25240 617 1 . 1 1 107 107 TYR CA C 107 60.912 60.912 60.020 0.892 25240 618 1 . 1 1 107 107 TYR CB C 107 37.677 37.677 37.895 -0.218 25240 619 1 . 1 1 107 107 TYR H H 107 8.669 8.669 8.117 0.551 25240 620 1 . 1 1 108 108 SER N N 108 118.372 118.372 114.368 4.004 25240 621 1 . 1 1 108 108 SER HA H 108 4.324 4.324 3.800 0.524 25240 622 1 . 1 1 108 108 SER C C 108 178.023 178.023 176.137 1.885 25240 623 1 . 1 1 108 108 SER CA C 108 62.286 62.286 61.444 0.842 25240 624 1 . 1 1 108 108 SER CB C 108 63.545 63.545 62.642 0.903 25240 625 1 . 1 1 108 108 SER H H 108 8.973 8.973 7.796 1.177 25240 626 1 . 1 1 109 109 SER N N 109 116.727 116.727 116.472 0.255 25240 627 1 . 1 1 109 109 SER HA H 109 4.292 4.292 4.355 -0.063 25240 628 1 . 1 1 109 109 SER C C 109 176.405 176.405 176.301 0.104 25240 629 1 . 1 1 109 109 SER CA C 109 61.370 61.370 61.064 0.306 25240 630 1 . 1 1 109 109 SER CB C 109 63.202 63.202 63.353 -0.151 25240 631 1 . 1 1 109 109 SER H H 109 8.353 8.353 7.636 0.717 25240 632 1 . 1 1 110 110 SER N N 110 115.229 115.229 118.320 -3.091 25240 633 1 . 1 1 110 110 SER HA H 110 4.549 4.549 4.164 0.385 25240 634 1 . 1 1 110 110 SER C C 110 172.899 172.899 175.908 -3.009 25240 635 1 . 1 1 110 110 SER CA C 110 59.424 59.424 60.965 -1.541 25240 636 1 . 1 1 110 110 SER CB C 110 62.973 62.973 62.892 0.081 25240 637 1 . 1 1 110 110 SER H H 110 7.236 7.236 7.618 -0.382 25240 638 1 . 1 1 111 111 PHE N N 111 120.978 120.978 122.345 -1.367 25240 639 1 . 1 1 111 111 PHE HA H 111 4.015 4.015 3.863 0.152 25240 640 1 . 1 1 111 111 PHE C C 111 177.483 177.483 176.733 0.751 25240 641 1 . 1 1 111 111 PHE CA C 111 57.708 57.708 61.668 -3.960 25240 642 1 . 1 1 111 111 PHE CB C 111 38.364 38.364 39.004 -0.640 25240 643 1 . 1 1 111 111 PHE H H 111 7.069 7.069 8.163 -1.094 25240 644 1 . 1 1 112 112 ASP N N 112 116.485 116.485 118.373 -1.888 25240 645 1 . 1 1 112 112 ASP HA H 112 3.753 3.753 4.253 -0.500 25240 646 1 . 1 1 112 112 ASP C C 112 177.281 177.281 177.574 -0.293 25240 647 1 . 1 1 112 112 ASP CA C 112 57.479 57.479 56.116 1.363 25240 648 1 . 1 1 112 112 ASP CB C 112 40.424 40.424 40.993 -0.569 25240 649 1 . 1 1 112 112 ASP H H 112 8.305 8.305 7.876 0.429 25240 650 1 . 1 1 113 113 ALA N N 113 121.059 121.059 122.286 -1.227 25240 651 1 . 1 1 113 113 ALA HA H 113 3.753 3.753 3.987 -0.234 25240 652 1 . 1 1 113 113 ALA C C 113 180.416 180.416 179.594 0.822 25240 653 1 . 1 1 113 113 ALA CA C 113 54.846 54.846 54.887 -0.041 25240 654 1 . 1 1 113 113 ALA CB C 113 17.075 17.075 18.621 -1.546 25240 655 1 . 1 1 113 113 ALA H H 113 7.393 7.393 7.342 0.051 25240 656 1 . 1 1 114 114 LEU N N 114 118.535 118.535 115.266 3.269 25240 657 1 . 1 1 114 114 LEU HA H 114 3.632 3.632 3.969 -0.337 25240 658 1 . 1 1 114 114 LEU C C 114 178.191 178.191 177.950 0.241 25240 659 1 . 1 1 114 114 LEU CA C 114 56.906 56.906 56.966 -0.060 25240 660 1 . 1 1 114 114 LEU CB C 114 41.340 41.340 40.686 0.654 25240 661 1 . 1 1 114 114 LEU H H 114 6.647 6.647 7.845 -1.198 25240 662 1 . 1 1 115 115 LYS N N 115 117.340 117.340 118.667 -1.327 25240 663 1 . 1 1 115 115 LYS HA H 115 3.229 3.229 3.698 -0.469 25240 664 1 . 1 1 115 115 LYS C C 115 179.877 179.877 177.851 2.026 25240 665 1 . 1 1 115 115 LYS CA C 115 59.424 59.424 59.414 0.010 25240 666 1 . 1 1 115 115 LYS CB C 115 31.954 31.954 31.626 0.328 25240 667 1 . 1 1 115 115 LYS H H 115 7.730 7.730 7.537 0.193 25240 668 1 . 1 1 116 116 LYS N N 116 116.144 116.144 117.451 -1.307 25240 669 1 . 1 1 116 116 LYS HA H 116 3.700 3.700 4.037 -0.337 25240 670 1 . 1 1 116 116 LYS C C 116 177.652 177.652 178.216 -0.564 25240 671 1 . 1 1 116 116 LYS CA C 116 58.394 58.394 58.504 -0.110 25240 672 1 . 1 1 116 116 LYS CB C 116 32.527 32.527 32.260 0.267 25240 673 1 . 1 1 116 116 LYS H H 116 7.714 7.714 7.349 0.365 25240 674 1 . 1 1 117 117 SER N N 117 111.789 111.789 115.046 -3.257 25240 675 1 . 1 1 117 117 SER HA H 117 4.179 4.179 4.223 -0.044 25240 676 1 . 1 1 117 117 SER C C 117 174.483 174.483 175.539 -1.056 25240 677 1 . 1 1 117 117 SER CA C 117 60.912 60.912 60.571 0.341 25240 678 1 . 1 1 117 117 SER CB C 117 64.232 64.232 63.998 0.234 25240 679 1 . 1 1 117 117 SER H H 117 6.957 6.957 7.496 -0.539 25240 680 1 . 1 1 118 118 LEU N N 118 122.293 122.293 118.346 3.947 25240 681 1 . 1 1 118 118 LEU HA H 118 3.922 3.922 3.863 0.059 25240 682 1 . 1 1 118 118 LEU C C 118 175.730 175.730 175.674 0.056 25240 683 1 . 1 1 118 118 LEU CA C 118 52.214 52.214 53.601 -1.387 25240 684 1 . 1 1 118 118 LEU CB C 118 37.448 37.448 40.377 -2.929 25240 685 1 . 1 1 118 118 LEU H H 118 6.997 6.997 7.937 -0.940 25240 686 1 . 1 1 119 119 VAL N N 119 121.059 121.059 121.194 -0.135 25240 687 1 . 1 1 119 119 VAL HA H 119 3.627 3.627 3.781 -0.154 25240 688 1 . 1 1 119 119 VAL C C 119 178.697 178.697 177.008 1.689 25240 689 1 . 1 1 119 119 VAL CA C 119 64.919 64.919 63.982 0.937 25240 690 1 . 1 1 119 119 VAL CB C 119 31.382 31.382 32.329 -0.947 25240 691 1 . 1 1 119 119 VAL H H 119 7.347 7.347 7.240 0.107 25240 692 1 . 1 1 120 120 GLY N N 120 117.377 117.377 116.146 1.231 25240 693 1 . 1 1 120 120 GLY C C 120 174.517 174.517 173.750 0.767 25240 694 1 . 1 1 120 120 GLY CA C 120 44.888 44.888 44.611 0.276 25240 695 1 . 1 1 120 120 GLY H H 120 9.077 9.077 8.654 0.423 25240 696 1 . 1 1 121 121 VAL N N 121 122.254 122.254 121.433 0.821 25240 697 1 . 1 1 121 121 VAL HA H 121 3.762 3.762 3.880 -0.118 25240 698 1 . 1 1 121 121 VAL C C 121 175.966 175.966 176.086 -0.120 25240 699 1 . 1 1 121 121 VAL CA C 121 64.117 64.117 63.723 0.394 25240 700 1 . 1 1 121 121 VAL CB C 121 31.611 31.611 31.814 -0.203 25240 701 1 . 1 1 121 121 VAL H H 121 7.316 7.316 7.630 -0.314 25240 702 1 . 1 1 122 122 GLN N N 122 123.484 123.484 125.986 -2.502 25240 703 1 . 1 1 122 122 GLN HA H 122 4.253 4.253 4.366 -0.113 25240 704 1 . 1 1 122 122 GLN C C 122 174.854 174.854 175.715 -0.861 25240 705 1 . 1 1 122 122 GLN CA C 122 56.105 56.105 56.608 -0.503 25240 706 1 . 1 1 122 122 GLN CB C 122 31.039 31.039 29.791 1.248 25240 707 1 . 1 1 122 122 GLN H H 122 8.678 8.678 8.520 0.158 25240 708 1 . 1 1 123 123 LYS N N 123 117.871 117.871 119.186 -1.315 25240 709 1 . 1 1 123 123 LYS HA H 123 4.310 4.310 4.484 -0.174 25240 710 1 . 1 1 123 123 LYS C C 123 173.000 173.000 174.181 -1.181 25240 711 1 . 1 1 123 123 LYS CA C 123 53.358 53.358 55.806 -2.448 25240 712 1 . 1 1 123 123 LYS CB C 123 34.816 34.816 34.989 -0.173 25240 713 1 . 1 1 123 123 LYS H H 123 6.726 6.726 7.546 -0.821 25240 714 1 . 1 1 124 124 TYR N N 124 123.352 123.352 121.880 1.472 25240 715 1 . 1 1 124 124 TYR HA H 124 5.899 5.899 5.877 0.022 25240 716 1 . 1 1 124 124 TYR C C 124 175.663 175.663 174.653 1.010 25240 717 1 . 1 1 124 124 TYR CA C 124 54.846 54.846 55.324 -0.478 25240 718 1 . 1 1 124 124 TYR CB C 124 40.424 40.424 40.120 0.304 25240 719 1 . 1 1 124 124 TYR H H 124 8.441 8.441 8.037 0.404 25240 720 1 . 1 1 125 125 ILE N N 125 122.835 122.835 123.886 -1.051 25240 721 1 . 1 1 125 125 ILE HA H 125 4.402 4.402 4.669 -0.267 25240 722 1 . 1 1 125 125 ILE C C 125 174.348 174.348 174.074 0.274 25240 723 1 . 1 1 125 125 ILE CA C 125 59.882 59.882 59.905 -0.023 25240 724 1 . 1 1 125 125 ILE CB C 125 42.256 42.256 42.286 -0.030 25240 725 1 . 1 1 125 125 ILE H H 125 9.123 9.123 9.324 -0.201 25240 726 1 . 1 1 126 126 GLN N N 126 126.869 126.869 127.521 -0.652 25240 727 1 . 1 1 126 126 GLN HA H 126 4.877 4.877 4.819 0.058 25240 728 1 . 1 1 126 126 GLN C C 126 174.146 174.146 174.219 -0.073 25240 729 1 . 1 1 126 126 GLN CA C 126 55.075 55.075 55.372 -0.297 25240 730 1 . 1 1 126 126 GLN CB C 126 29.551 29.551 30.433 -0.882 25240 731 1 . 1 1 126 126 GLN H H 126 8.916 8.916 8.695 0.221 25240 732 1 . 1 1 127 127 ALA N N 127 127.414 127.414 129.285 -1.871 25240 733 1 . 1 1 127 127 ALA HA H 127 4.963 4.963 4.813 0.150 25240 734 1 . 1 1 127 127 ALA C C 127 176.539 176.539 176.960 -0.421 25240 735 1 . 1 1 127 127 ALA CA C 127 50.954 50.954 50.780 0.174 25240 736 1 . 1 1 127 127 ALA CB C 127 21.882 21.882 20.726 1.156 25240 737 1 . 1 1 127 127 ALA H H 127 8.829 8.829 9.086 -0.257 25240 738 1 . 1 1 128 128 THR N N 128 112.753 112.753 115.957 -3.204 25240 739 1 . 1 1 128 128 THR HA H 128 3.994 3.994 4.470 -0.476 25240 740 1 . 1 1 128 128 THR C C 128 172.933 172.933 174.326 -1.393 25240 741 1 . 1 1 128 128 THR CA C 128 60.912 60.912 62.934 -2.022 25240 742 1 . 1 1 128 128 THR CB C 128 70.527 70.527 69.278 1.249 25240 743 1 . 1 1 128 128 THR H H 128 9.350 9.350 8.656 0.694 25240 744 1 . 1 1 129 129 ASP N N 129 118.551 118.551 118.059 0.492 25240 745 1 . 1 1 129 129 ASP HA H 129 4.578 4.578 4.466 0.112 25240 746 1 . 1 1 129 129 ASP C C 129 176.573 176.573 176.657 -0.084 25240 747 1 . 1 1 129 129 ASP CA C 129 53.015 53.015 52.909 0.106 25240 748 1 . 1 1 129 129 ASP CB C 129 43.744 43.744 42.058 1.686 25240 749 1 . 1 1 129 129 ASP H H 129 7.602 7.602 7.605 -0.003 25240 750 1 . 1 1 130 130 LEU N N 130 122.387 122.387 120.741 1.646 25240 751 1 . 1 1 130 130 LEU HA H 130 3.977 3.977 4.287 -0.310 25240 752 1 . 1 1 130 130 LEU C C 130 179.202 179.202 178.202 1.000 25240 753 1 . 1 1 130 130 LEU CA C 130 58.051 58.051 57.155 0.896 25240 754 1 . 1 1 130 130 LEU CB C 130 41.569 41.569 42.106 -0.537 25240 755 1 . 1 1 130 130 LEU H H 130 8.910 8.910 8.543 0.367 25240 756 1 . 1 1 131 131 SER N N 131 116.410 116.410 114.320 2.090 25240 757 1 . 1 1 131 131 SER HA H 131 3.856 3.856 4.240 -0.384 25240 758 1 . 1 1 131 131 SER C C 131 177.180 177.180 176.163 1.017 25240 759 1 . 1 1 131 131 SER CA C 131 62.515 62.515 61.315 1.200 25240 760 1 . 1 1 131 131 SER CB C 131 68.352 68.352 63.064 5.288 25240 761 1 . 1 1 131 131 SER H H 131 8.645 8.645 8.688 -0.043 25240 762 1 . 1 1 132 132 GLU N N 132 120.840 120.840 118.772 2.068 25240 763 1 . 1 1 132 132 GLU HA H 132 4.070 4.070 4.320 -0.250 25240 764 1 . 1 1 132 132 GLU C C 132 175.427 175.427 176.176 -0.749 25240 765 1 . 1 1 132 132 GLU CA C 132 57.021 57.021 56.569 0.452 25240 766 1 . 1 1 132 132 GLU CB C 132 31.039 31.039 29.876 1.163 25240 767 1 . 1 1 132 132 GLU H H 132 7.749 7.749 7.813 -0.064 25240 768 1 . 1 1 133 133 ALA N N 133 117.182 117.182 120.947 -3.765 25240 769 1 . 1 1 133 133 ALA HA H 133 4.351 4.351 4.546 -0.195 25240 770 1 . 1 1 133 133 ALA C C 133 175.730 175.730 176.474 -0.744 25240 771 1 . 1 1 133 133 ALA CA C 133 50.382 50.382 51.190 -0.808 25240 772 1 . 1 1 133 133 ALA CB C 133 20.279 20.279 19.218 1.061 25240 773 1 . 1 1 133 133 ALA H H 133 7.347 7.347 7.391 -0.044 25240 774 1 . 1 1 134 134 SER N N 134 115.197 115.197 115.965 -0.768 25240 775 1 . 1 1 134 134 SER HA H 134 4.185 4.185 4.478 -0.293 25240 776 1 . 1 1 134 134 SER C C 134 173.067 173.067 175.486 -2.419 25240 777 1 . 1 1 134 134 SER CA C 134 58.509 58.509 57.040 1.469 25240 778 1 . 1 1 134 134 SER CB C 134 64.690 64.690 64.977 -0.287 25240 779 1 . 1 1 134 134 SER H H 134 7.061 7.061 7.670 -0.609 25240 780 1 . 1 1 135 135 ARG N N 135 122.190 122.190 124.638 -2.448 25240 781 1 . 1 1 135 135 ARG HA H 135 4.185 4.185 3.873 0.312 25240 782 1 . 1 1 135 135 ARG C C 135 177.888 177.888 177.710 0.178 25240 783 1 . 1 1 135 135 ARG CA C 135 60.111 60.111 59.113 0.998 25240 784 1 . 1 1 135 135 ARG CB C 135 29.551 29.551 29.673 -0.122 25240 785 1 . 1 1 135 135 ARG H H 135 8.961 8.961 8.870 0.091 25240 786 1 . 1 1 136 136 GLU N N 136 115.480 115.480 119.741 -4.261 25240 787 1 . 1 1 136 136 GLU HA H 136 3.795 3.795 4.071 -0.276 25240 788 1 . 1 1 136 136 GLU C C 136 178.865 178.865 177.868 0.997 25240 789 1 . 1 1 136 136 GLU CA C 136 59.997 59.997 58.835 1.162 25240 790 1 . 1 1 136 136 GLU CB C 136 28.749 28.749 29.347 -0.598 25240 791 1 . 1 1 136 136 GLU H H 136 8.588 8.588 8.198 0.390 25240 792 1 . 1 1 137 137 ALA N N 137 123.947 123.947 121.364 2.583 25240 793 1 . 1 1 137 137 ALA HA H 137 3.922 3.922 4.274 -0.352 25240 794 1 . 1 1 137 137 ALA C C 137 181.191 181.191 179.418 1.773 25240 795 1 . 1 1 137 137 ALA CA C 137 54.846 54.846 54.267 0.579 25240 796 1 . 1 1 137 137 ALA CB C 137 18.334 18.334 18.509 -0.175 25240 797 1 . 1 1 137 137 ALA H H 137 7.578 7.578 7.631 -0.053 25240 798 1 . 1 1 138 138 VAL N N 138 119.326 119.326 118.356 0.970 25240 799 1 . 1 1 138 138 VAL HA H 138 3.905 3.905 3.509 0.396 25240 800 1 . 1 1 138 138 VAL C C 138 177.584 177.584 177.544 0.040 25240 801 1 . 1 1 138 138 VAL CA C 138 66.635 66.635 66.357 0.278 25240 802 1 . 1 1 138 138 VAL CB C 138 31.039 31.039 31.283 -0.244 25240 803 1 . 1 1 138 138 VAL H H 138 8.108 8.108 7.990 0.118 25240 804 1 . 1 1 139 139 GLU N N 139 119.418 119.418 119.406 0.012 25240 805 1 . 1 1 139 139 GLU HA H 139 4.071 4.071 3.823 0.248 25240 806 1 . 1 1 139 139 GLU C C 139 178.157 178.157 178.158 -0.001 25240 807 1 . 1 1 139 139 GLU CA C 139 60.569 60.569 59.430 1.139 25240 808 1 . 1 1 139 139 GLU CB C 139 29.093 29.093 28.964 0.129 25240 809 1 . 1 1 139 139 GLU H H 139 8.248 8.248 7.719 0.529 25240 810 1 . 1 1 140 140 GLU N N 140 116.410 116.410 118.479 -2.069 25240 811 1 . 1 1 140 140 GLU HA H 140 3.731 3.731 4.013 -0.282 25240 812 1 . 1 1 140 140 GLU C C 140 179.202 179.202 178.681 0.521 25240 813 1 . 1 1 140 140 GLU CA C 140 59.424 59.424 58.853 0.571 25240 814 1 . 1 1 140 140 GLU CB C 140 29.093 29.093 29.204 -0.110 25240 815 1 . 1 1 140 140 GLU H H 140 7.305 7.305 8.049 -0.744 25240 816 1 . 1 1 141 141 LYS N N 141 118.210 118.210 118.231 -0.021 25240 817 1 . 1 1 141 141 LYS HA H 141 3.930 3.930 4.089 -0.159 25240 818 1 . 1 1 141 141 LYS C C 141 179.607 179.607 178.494 1.113 25240 819 1 . 1 1 141 141 LYS CA C 141 58.394 58.394 58.480 -0.086 25240 820 1 . 1 1 141 141 LYS CB C 141 32.183 32.183 32.204 -0.021 25240 821 1 . 1 1 141 141 LYS H H 141 7.292 7.292 7.488 -0.196 25240 822 1 . 1 1 142 142 LEU N N 142 119.472 119.472 116.999 2.473 25240 823 1 . 1 1 142 142 LEU HA H 142 3.680 3.680 4.067 -0.388 25240 824 1 . 1 1 142 142 LEU C C 142 178.663 178.663 178.571 0.092 25240 825 1 . 1 1 142 142 LEU CA C 142 57.364 57.364 57.053 0.311 25240 826 1 . 1 1 142 142 LEU CB C 142 40.424 40.424 41.280 -0.856 25240 827 1 . 1 1 142 142 LEU H H 142 8.112 8.112 7.388 0.724 25240 828 1 . 1 1 143 143 ARG N N 143 117.384 117.384 118.699 -1.315 25240 829 1 . 1 1 143 143 ARG HA H 143 3.960 3.960 4.268 -0.307 25240 830 1 . 1 1 143 143 ARG C C 143 177.989 177.989 178.085 -0.096 25240 831 1 . 1 1 143 143 ARG CA C 143 58.051 58.051 57.946 0.105 25240 832 1 . 1 1 143 143 ARG CB C 143 30.695 30.695 29.266 1.429 25240 833 1 . 1 1 143 143 ARG H H 143 7.832 7.832 8.467 -0.635 25240 834 1 . 1 1 144 144 ALA N N 144 121.192 121.192 121.363 -0.171 25240 835 1 . 1 1 144 144 ALA HA H 144 4.081 4.081 4.243 -0.162 25240 836 1 . 1 1 144 144 ALA C C 144 178.697 178.697 178.165 0.532 25240 837 1 . 1 1 144 144 ALA CA C 144 53.930 53.930 53.905 0.025 25240 838 1 . 1 1 144 144 ALA CB C 144 18.791 18.791 18.430 0.361 25240 839 1 . 1 1 144 144 ALA H H 144 7.284 7.284 7.707 -0.423 25240 840 1 . 1 1 145 145 THR N N 145 109.503 109.503 111.753 -2.250 25240 841 1 . 1 1 145 145 THR HA H 145 4.270 4.270 4.441 -0.171 25240 842 1 . 1 1 145 145 THR C C 145 174.787 174.787 174.386 0.401 25240 843 1 . 1 1 145 145 THR CA C 145 61.828 61.828 62.909 -1.081 25240 844 1 . 1 1 145 145 THR CB C 145 68.925 68.925 69.486 -0.560 25240 845 1 . 1 1 145 145 THR H H 145 7.690 7.690 7.601 0.088 25240 846 1 . 1 1 146 146 ASP N N 146 122.786 122.786 122.090 0.696 25240 847 1 . 1 1 146 146 ASP HA H 146 4.544 4.544 4.721 -0.177 25240 848 1 . 1 1 146 146 ASP C C 146 176.000 176.000 175.342 0.658 25240 849 1 . 1 1 146 146 ASP CA C 146 54.732 54.732 54.138 0.594 25240 850 1 . 1 1 146 146 ASP CB C 146 41.111 41.111 42.278 -1.167 25240 851 1 . 1 1 146 146 ASP H H 146 7.873 7.873 7.708 0.165 25240 852 1 . 1 1 147 147 ARG N N 147 120.926 120.926 121.366 -0.440 25240 853 1 . 1 1 147 147 ARG HA H 147 4.270 4.270 4.445 -0.175 25240 854 1 . 1 1 147 147 ARG C C 147 175.427 175.427 175.416 0.011 25240 855 1 . 1 1 147 147 ARG CA C 147 56.105 56.105 55.873 0.232 25240 856 1 . 1 1 147 147 ARG CB C 147 30.695 30.695 30.600 0.095 25240 857 1 . 1 1 147 147 ARG H H 147 8.048 8.048 8.292 -0.244 25240 stop_ save_