data_18081 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18081 _Entry.PDB_ID 2LLN 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 18081 _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 VAL N N 2 126.137 126.137 124.666 1.471 18081 2 1 1 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.021 0.005 18081 3 1 1 . 1 1 2 2 VAL C C 2 176.484 176.484 175.177 1.307 18081 4 1 1 . 1 1 2 2 VAL CA C 2 62.568 62.568 63.910 -1.342 18081 5 1 1 . 1 1 2 2 VAL CB C 2 32.391 32.391 30.887 1.504 18081 6 1 1 . 1 1 2 2 VAL H H 2 8.035 8.035 8.102 -0.067 18081 7 1 1 . 1 1 3 3 ILE N N 3 124.059 124.059 122.616 1.443 18081 8 1 1 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.656 -0.161 18081 9 1 1 . 1 1 3 3 ILE C C 3 174.606 174.606 174.061 0.545 18081 10 1 1 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.145 0.240 18081 11 1 1 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.165 0.356 18081 12 1 1 . 1 1 3 3 ILE H H 3 7.856 7.856 7.737 0.119 18081 13 1 1 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.540 -0.167 18081 14 1 1 . 1 1 4 4 PRO C C 4 176.585 176.585 175.886 0.699 18081 15 1 1 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.959 0.230 18081 16 1 1 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.362 -0.398 18081 17 1 1 . 1 1 5 5 ALA N N 5 125.371 125.371 122.610 2.761 18081 18 1 1 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.230 0.057 18081 19 1 1 . 1 1 5 5 ALA C C 5 178.454 178.454 178.574 -0.120 18081 20 1 1 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.905 -0.170 18081 21 1 1 . 1 1 5 5 ALA CB C 5 19.043 19.043 18.997 0.046 18081 22 1 1 . 1 1 5 5 ALA H H 5 8.458 8.458 8.696 -0.238 18081 23 1 1 . 1 1 6 6 GLY N N 6 108.626 108.626 109.387 -0.761 18081 24 1 1 . 1 1 6 6 GLY C C 6 173.996 173.996 175.340 -1.344 18081 25 1 1 . 1 1 6 6 GLY CA C 6 45.171 45.171 46.198 -1.027 18081 26 1 1 . 1 1 6 6 GLY H H 6 8.378 8.378 8.531 -0.153 18081 27 1 1 . 1 1 7 7 LYS N N 7 121.320 121.320 120.040 1.280 18081 28 1 1 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.471 -0.142 18081 29 1 1 . 1 1 7 7 LYS C C 7 176.362 176.362 175.680 0.682 18081 30 1 1 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.332 0.784 18081 31 1 1 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.268 -1.284 18081 32 1 1 . 1 1 7 7 LYS H H 7 7.976 7.976 8.074 -0.098 18081 33 1 1 . 1 1 8 8 LEU N N 8 124.548 124.548 120.425 4.123 18081 34 1 1 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.045 0.346 18081 35 1 1 . 1 1 8 8 LEU C C 8 176.772 176.772 175.412 1.360 18081 36 1 1 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.237 -0.055 18081 37 1 1 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.301 0.174 18081 38 1 1 . 1 1 8 8 LEU H H 8 8.283 8.283 8.614 -0.331 18081 39 1 1 . 1 1 9 9 GLU N N 9 124.888 124.888 124.326 0.562 18081 40 1 1 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.542 -0.152 18081 41 1 1 . 1 1 9 9 GLU C C 9 174.919 174.919 175.064 -0.145 18081 42 1 1 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.809 0.663 18081 43 1 1 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.207 -1.596 18081 44 1 1 . 1 1 9 9 GLU H H 9 8.679 8.679 8.565 0.114 18081 45 1 1 . 1 1 10 10 ARG N N 10 123.557 123.557 126.144 -2.587 18081 46 1 1 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.455 0.517 18081 47 1 1 . 1 1 10 10 ARG C C 10 175.727 175.727 176.165 -0.438 18081 48 1 1 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.447 -0.362 18081 49 1 1 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.155 1.390 18081 50 1 1 . 1 1 10 10 ARG H H 10 8.248 8.248 8.560 -0.312 18081 51 1 1 . 1 1 11 11 VAL N N 11 118.077 118.077 120.544 -2.467 18081 52 1 1 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.578 -0.198 18081 53 1 1 . 1 1 11 11 VAL C C 11 173.297 173.297 174.498 -1.201 18081 54 1 1 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.605 -0.019 18081 55 1 1 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.835 -0.072 18081 56 1 1 . 1 1 11 11 VAL H H 11 8.039 8.039 7.922 0.117 18081 57 1 1 . 1 1 12 12 ASP N N 12 123.786 123.786 115.491 8.295 18081 58 1 1 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.982 -0.031 18081 59 1 1 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.159 -0.560 18081 60 1 1 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.535 -0.147 18081 61 1 1 . 1 1 12 12 ASP H H 12 8.313 8.313 8.090 0.223 18081 62 1 1 . 1 1 13 13 PRO C C 13 177.705 177.705 177.384 0.321 18081 63 1 1 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.106 0.633 18081 64 1 1 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.921 -0.298 18081 65 1 1 . 1 1 14 14 THR N N 14 109.188 109.188 115.086 -5.898 18081 66 1 1 . 1 1 14 14 THR HA H 14 4.252 4.252 4.018 0.234 18081 67 1 1 . 1 1 14 14 THR C C 14 176.733 176.733 175.427 1.306 18081 68 1 1 . 1 1 14 14 THR CA C 14 63.996 63.996 65.281 -1.285 18081 69 1 1 . 1 1 14 14 THR CB C 14 69.270 69.270 68.950 0.320 18081 70 1 1 . 1 1 14 14 THR H H 14 8.413 8.413 7.938 0.475 18081 71 1 1 . 1 1 15 15 THR N N 15 108.904 108.904 109.484 -0.580 18081 72 1 1 . 1 1 15 15 THR HA H 15 4.733 4.733 4.546 0.187 18081 73 1 1 . 1 1 15 15 THR C C 15 177.174 177.174 174.525 2.649 18081 74 1 1 . 1 1 15 15 THR CA C 15 61.589 61.589 61.365 0.224 18081 75 1 1 . 1 1 15 15 THR CB C 15 70.654 70.654 69.988 0.666 18081 76 1 1 . 1 1 15 15 THR H H 15 7.413 7.413 7.736 -0.323 18081 77 1 1 . 1 1 16 16 VAL N N 16 122.387 122.387 123.103 -0.716 18081 78 1 1 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.817 0.381 18081 79 1 1 . 1 1 16 16 VAL C C 16 175.683 175.683 175.422 0.261 18081 80 1 1 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.142 -0.690 18081 81 1 1 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.158 -0.658 18081 82 1 1 . 1 1 16 16 VAL H H 16 7.143 7.143 7.375 -0.232 18081 83 1 1 . 1 1 17 17 ARG N N 17 115.917 115.917 115.832 0.085 18081 84 1 1 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.432 -0.161 18081 85 1 1 . 1 1 17 17 ARG C C 17 175.861 175.861 178.130 -2.269 18081 86 1 1 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.766 -0.716 18081 87 1 1 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.955 0.071 18081 88 1 1 . 1 1 17 17 ARG H H 17 8.227 8.227 8.430 -0.203 18081 89 1 1 . 1 1 18 18 GLN N N 18 117.044 117.044 118.678 -1.634 18081 90 1 1 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.343 0.056 18081 91 1 1 . 1 1 18 18 GLN C C 18 175.506 175.506 175.435 0.071 18081 92 1 1 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.801 -0.662 18081 93 1 1 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.701 1.108 18081 94 1 1 . 1 1 18 18 GLN H H 18 7.765 7.765 8.049 -0.284 18081 95 1 1 . 1 1 19 19 GLU N N 19 118.659 118.659 119.266 -0.607 18081 96 1 1 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.473 0.086 18081 97 1 1 . 1 1 19 19 GLU C C 19 175.081 175.081 174.959 0.122 18081 98 1 1 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.645 -0.463 18081 99 1 1 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.027 0.364 18081 100 1 1 . 1 1 19 19 GLU H H 19 8.070 8.070 8.080 -0.010 18081 101 1 1 . 1 1 20 20 GLY N N 20 113.694 113.694 112.720 0.974 18081 102 1 1 . 1 1 20 20 GLY C C 20 174.150 174.150 172.350 1.800 18081 103 1 1 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.826 -0.278 18081 104 1 1 . 1 1 20 20 GLY H H 20 8.933 8.933 8.102 0.831 18081 105 1 1 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.071 -0.398 18081 106 1 1 . 1 1 21 21 PRO C C 21 176.703 176.703 176.286 0.417 18081 107 1 1 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.365 0.516 18081 108 1 1 . 1 1 21 21 PRO CB C 21 30.037 30.037 30.822 -0.785 18081 109 1 1 . 1 1 22 22 TRP N N 22 117.898 117.898 116.218 1.680 18081 110 1 1 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.562 -0.247 18081 111 1 1 . 1 1 22 22 TRP C C 22 174.965 174.965 176.916 -1.951 18081 112 1 1 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.807 2.714 18081 113 1 1 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.767 0.504 18081 114 1 1 . 1 1 22 22 TRP H H 22 8.759 8.759 8.028 0.731 18081 115 1 1 . 1 1 23 23 ALA N N 23 120.887 120.887 121.990 -1.103 18081 116 1 1 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.433 -0.509 18081 117 1 1 . 1 1 23 23 ALA C C 23 177.520 177.520 178.294 -0.774 18081 118 1 1 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.426 1.355 18081 119 1 1 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.372 -0.824 18081 120 1 1 . 1 1 23 23 ALA H H 23 7.232 7.232 7.058 0.174 18081 121 1 1 . 1 1 24 24 ASP N N 24 115.176 115.176 117.445 -2.269 18081 122 1 1 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.110 0.076 18081 123 1 1 . 1 1 24 24 ASP C C 24 176.860 176.860 175.615 1.245 18081 124 1 1 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.229 -1.609 18081 125 1 1 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.690 -1.203 18081 126 1 1 . 1 1 24 24 ASP H H 24 7.718 7.718 7.546 0.172 18081 127 1 1 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.353 -0.054 18081 128 1 1 . 1 1 25 25 PRO C C 25 177.445 177.445 177.454 -0.009 18081 129 1 1 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.438 0.043 18081 130 1 1 . 1 1 25 25 PRO CB C 25 31.896 31.896 31.979 -0.083 18081 131 1 1 . 1 1 26 26 ALA N N 26 120.150 120.150 121.017 -0.867 18081 132 1 1 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.237 0.068 18081 133 1 1 . 1 1 26 26 ALA C C 26 179.061 179.061 178.574 0.487 18081 134 1 1 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.074 -0.227 18081 135 1 1 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.310 -0.058 18081 136 1 1 . 1 1 26 26 ALA H H 26 8.158 8.158 8.113 0.045 18081 137 1 1 . 1 1 27 27 GLN N N 27 117.617 117.617 116.045 1.572 18081 138 1 1 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.292 0.403 18081 139 1 1 . 1 1 27 27 GLN C C 27 175.309 175.309 176.151 -0.842 18081 140 1 1 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.556 -1.298 18081 141 1 1 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.191 0.541 18081 142 1 1 . 1 1 27 27 GLN H H 27 7.732 7.732 7.547 0.185 18081 143 1 1 . 1 1 28 28 ALA N N 28 122.069 122.069 122.553 -0.484 18081 144 1 1 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.194 0.187 18081 145 1 1 . 1 1 28 28 ALA C C 28 176.358 176.358 177.347 -0.989 18081 146 1 1 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.740 0.842 18081 147 1 1 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.345 1.576 18081 148 1 1 . 1 1 28 28 ALA H H 28 6.996 6.996 7.259 -0.263 18081 149 1 1 . 1 1 29 29 VAL N N 29 114.478 114.478 117.726 -3.248 18081 150 1 1 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.357 0.350 18081 151 1 1 . 1 1 29 29 VAL C C 29 176.252 176.252 175.445 0.807 18081 152 1 1 . 1 1 29 29 VAL CA C 29 61.989 61.989 62.483 -0.494 18081 153 1 1 . 1 1 29 29 VAL CB C 29 31.600 31.600 31.670 -0.070 18081 154 1 1 . 1 1 29 29 VAL H H 29 7.868 7.868 7.737 0.131 18081 155 1 1 . 1 1 30 30 VAL N N 30 129.718 129.718 127.274 2.444 18081 156 1 1 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.477 -0.090 18081 157 1 1 . 1 1 30 30 VAL C C 30 175.107 175.107 175.017 0.090 18081 158 1 1 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.999 -0.256 18081 159 1 1 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.352 -0.094 18081 160 1 1 . 1 1 30 30 VAL H H 30 9.556 9.556 8.364 1.192 18081 161 1 1 . 1 1 31 31 GLN N N 31 129.372 129.372 128.738 0.634 18081 162 1 1 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.216 -0.075 18081 163 1 1 . 1 1 31 31 GLN C C 31 176.413 176.413 176.187 0.226 18081 164 1 1 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.940 0.111 18081 165 1 1 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.712 -1.661 18081 166 1 1 . 1 1 31 31 GLN H H 31 9.153 9.153 8.972 0.181 18081 167 1 1 . 1 1 32 32 THR N N 32 119.775 119.775 117.952 1.823 18081 168 1 1 . 1 1 32 32 THR HA H 32 4.392 4.392 4.671 -0.279 18081 169 1 1 . 1 1 32 32 THR C C 32 174.102 174.102 174.666 -0.564 18081 170 1 1 . 1 1 32 32 THR CA C 32 61.678 61.678 61.466 0.212 18081 171 1 1 . 1 1 32 32 THR CB C 32 68.775 68.775 69.983 -1.208 18081 172 1 1 . 1 1 32 32 THR H H 32 8.266 8.266 8.319 -0.053 18081 173 1 1 . 1 1 33 33 GLY N N 33 111.761 111.761 110.532 1.229 18081 174 1 1 . 1 1 33 33 GLY C C 33 170.586 170.586 172.517 -1.931 18081 175 1 1 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.356 1.726 18081 176 1 1 . 1 1 33 33 GLY H H 33 7.997 7.997 7.448 0.549 18081 177 1 1 . 1 1 34 34 PRO C C 34 176.674 176.674 176.310 0.364 18081 178 1 1 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.359 0.522 18081 179 1 1 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.553 -1.192 18081 180 1 1 . 1 1 35 35 ASN N N 35 117.681 117.681 113.805 3.876 18081 181 1 1 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.618 0.236 18081 182 1 1 . 1 1 35 35 ASN C C 35 173.262 173.262 172.850 0.412 18081 183 1 1 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.040 -0.917 18081 184 1 1 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.175 0.581 18081 185 1 1 . 1 1 35 35 ASN H H 35 8.649 8.649 8.118 0.531 18081 186 1 1 . 1 1 36 36 GLN N N 36 119.276 119.276 117.201 2.075 18081 187 1 1 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.916 0.651 18081 188 1 1 . 1 1 36 36 GLN C C 36 173.292 173.292 173.970 -0.678 18081 189 1 1 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.245 0.358 18081 190 1 1 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.406 3.468 18081 191 1 1 . 1 1 36 36 GLN H H 36 6.953 6.953 7.476 -0.523 18081 192 1 1 . 1 1 37 37 TYR N N 37 125.339 125.339 124.498 0.841 18081 193 1 1 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.590 0.474 18081 194 1 1 . 1 1 37 37 TYR C C 37 174.321 174.321 175.323 -1.002 18081 195 1 1 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.740 -0.268 18081 196 1 1 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.928 0.768 18081 197 1 1 . 1 1 37 37 TYR H H 37 8.898 8.898 8.441 0.457 18081 198 1 1 . 1 1 38 38 THR N N 38 121.935 121.935 120.568 1.367 18081 199 1 1 . 1 1 38 38 THR HA H 38 5.098 5.098 4.281 0.817 18081 200 1 1 . 1 1 38 38 THR C C 38 172.253 172.253 173.673 -1.420 18081 201 1 1 . 1 1 38 38 THR CA C 38 61.589 61.589 62.805 -1.216 18081 202 1 1 . 1 1 38 38 THR CB C 38 69.764 69.764 68.777 0.987 18081 203 1 1 . 1 1 38 38 THR H H 38 9.592 9.592 8.623 0.969 18081 204 1 1 . 1 1 39 39 VAL N N 39 126.189 126.189 127.646 -1.457 18081 205 1 1 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.321 0.780 18081 206 1 1 . 1 1 39 39 VAL C C 39 174.612 174.612 174.625 -0.013 18081 207 1 1 . 1 1 39 39 VAL CA C 39 59.631 59.631 60.753 -1.122 18081 208 1 1 . 1 1 39 39 VAL CB C 39 34.071 34.071 33.346 0.725 18081 209 1 1 . 1 1 39 39 VAL H H 39 8.710 8.710 7.728 0.982 18081 210 1 1 . 1 1 40 40 TYR N N 40 130.243 130.243 124.355 5.888 18081 211 1 1 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.215 -0.574 18081 212 1 1 . 1 1 40 40 TYR C C 40 174.840 174.840 175.564 -0.724 18081 213 1 1 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.708 1.944 18081 214 1 1 . 1 1 40 40 TYR CB C 40 36.840 36.840 41.648 -4.808 18081 215 1 1 . 1 1 40 40 TYR H H 40 9.139 9.139 8.337 0.802 18081 216 1 1 . 1 1 41 41 VAL N N 41 124.415 124.415 121.880 2.535 18081 217 1 1 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.619 0.721 18081 218 1 1 . 1 1 41 41 VAL C C 41 175.680 175.680 174.026 1.654 18081 219 1 1 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.221 -0.967 18081 220 1 1 . 1 1 41 41 VAL CB C 41 34.862 34.862 35.758 -0.896 18081 221 1 1 . 1 1 41 41 VAL H H 41 8.686 8.686 9.609 -0.923 18081 222 1 1 . 1 1 42 42 LEU N N 42 129.148 129.148 128.023 1.125 18081 223 1 1 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.048 0.098 18081 224 1 1 . 1 1 42 42 LEU C C 42 175.161 175.161 174.589 0.572 18081 225 1 1 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.144 -1.365 18081 226 1 1 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.596 -0.957 18081 227 1 1 . 1 1 42 42 LEU H H 42 9.694 9.694 8.560 1.134 18081 228 1 1 . 1 1 43 43 ALA N N 43 130.434 130.434 126.398 4.036 18081 229 1 1 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.411 0.311 18081 230 1 1 . 1 1 43 43 ALA C C 43 173.292 173.292 175.086 -1.794 18081 231 1 1 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.589 -1.435 18081 232 1 1 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.641 -0.511 18081 233 1 1 . 1 1 43 43 ALA H H 43 8.679 8.679 8.355 0.324 18081 234 1 1 . 1 1 44 44 PHE N N 44 118.472 118.472 119.366 -0.894 18081 235 1 1 . 1 1 44 44 PHE HA H 44 5.209 5.209 5.024 0.185 18081 236 1 1 . 1 1 44 44 PHE C C 44 172.698 172.698 174.855 -2.157 18081 237 1 1 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.289 -1.164 18081 238 1 1 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.822 1.851 18081 239 1 1 . 1 1 44 44 PHE H H 44 7.756 7.756 7.004 0.752 18081 240 1 1 . 1 1 45 45 ALA N N 45 122.901 122.901 122.369 0.532 18081 241 1 1 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.271 -0.858 18081 242 1 1 . 1 1 45 45 ALA C C 45 177.267 177.267 176.767 0.500 18081 243 1 1 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.416 -6.133 18081 244 1 1 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.587 -2.807 18081 245 1 1 . 1 1 45 45 ALA H H 45 9.739 9.739 8.734 1.005 18081 246 1 1 . 1 1 46 46 PHE N N 46 128.515 128.515 120.603 7.912 18081 247 1 1 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.562 0.658 18081 248 1 1 . 1 1 46 46 PHE C C 46 173.387 173.387 175.552 -2.165 18081 249 1 1 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.641 3.390 18081 250 1 1 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.110 2.289 18081 251 1 1 . 1 1 46 46 PHE H H 46 7.994 7.994 8.302 -0.308 18081 252 1 1 . 1 1 47 47 GLY N N 47 113.741 113.741 113.201 0.540 18081 253 1 1 . 1 1 47 47 GLY C C 47 167.774 167.774 172.876 -5.102 18081 254 1 1 . 1 1 47 47 GLY CA C 47 45.235 45.235 45.006 0.229 18081 255 1 1 . 1 1 47 47 GLY H H 47 7.796 7.796 7.847 -0.051 18081 256 1 1 . 1 1 48 48 TYR N N 48 119.637 119.637 120.719 -1.082 18081 257 1 1 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.858 0.480 18081 258 1 1 . 1 1 48 48 TYR C C 48 175.042 175.042 173.872 1.170 18081 259 1 1 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.673 -1.379 18081 260 1 1 . 1 1 48 48 TYR CB C 48 41.962 41.962 41.176 0.786 18081 261 1 1 . 1 1 48 48 TYR H H 48 8.370 8.370 8.548 -0.178 18081 262 1 1 . 1 1 49 49 GLN N N 49 121.776 121.776 121.841 -0.065 18081 263 1 1 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.889 -0.072 18081 264 1 1 . 1 1 49 49 GLN CA C 49 52.334 52.334 54.059 -1.725 18081 265 1 1 . 1 1 49 49 GLN CB C 49 33.874 33.874 29.122 4.752 18081 266 1 1 . 1 1 49 49 GLN H H 49 9.163 9.163 8.326 0.837 18081 267 1 1 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.653 0.089 18081 268 1 1 . 1 1 50 50 PRO C C 50 174.271 174.271 175.994 -1.723 18081 269 1 1 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.725 0.065 18081 270 1 1 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.393 2.272 18081 271 1 1 . 1 1 51 51 ASN N N 51 113.755 113.755 115.200 -1.445 18081 272 1 1 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.012 0.068 18081 273 1 1 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.679 -0.680 18081 274 1 1 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.535 2.161 18081 275 1 1 . 1 1 51 51 ASN H H 51 8.229 8.229 8.426 -0.197 18081 276 1 1 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.439 0.832 18081 277 1 1 . 1 1 52 52 PRO C C 52 176.525 176.525 175.921 0.604 18081 278 1 1 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.958 0.633 18081 279 1 1 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.574 4.333 18081 280 1 1 . 1 1 53 53 ILE N N 53 120.452 120.452 122.487 -2.035 18081 281 1 1 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.285 -0.219 18081 282 1 1 . 1 1 53 53 ILE C C 53 174.236 174.236 175.122 -0.886 18081 283 1 1 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.575 0.925 18081 284 1 1 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.702 -0.797 18081 285 1 1 . 1 1 53 53 ILE H H 53 8.321 8.321 7.965 0.356 18081 286 1 1 . 1 1 54 54 GLU N N 54 129.279 129.279 124.188 5.091 18081 287 1 1 . 1 1 54 54 GLU HA H 54 5.467 5.467 5.034 0.433 18081 288 1 1 . 1 1 54 54 GLU C C 54 175.598 175.598 174.407 1.191 18081 289 1 1 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.082 0.922 18081 290 1 1 . 1 1 54 54 GLU CB C 54 30.907 30.907 33.633 -2.726 18081 291 1 1 . 1 1 54 54 GLU H H 54 8.458 8.458 8.281 0.177 18081 292 1 1 . 1 1 55 55 VAL N N 55 115.767 115.767 119.912 -4.145 18081 293 1 1 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.494 0.162 18081 294 1 1 . 1 1 55 55 VAL C C 55 172.453 172.453 173.037 -0.584 18081 295 1 1 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.149 -2.410 18081 296 1 1 . 1 1 55 55 VAL CB C 55 33.972 33.972 35.466 -1.494 18081 297 1 1 . 1 1 55 55 VAL H H 55 8.492 8.492 8.130 0.362 18081 298 1 1 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.830 -0.163 18081 299 1 1 . 1 1 56 56 PRO C C 56 177.445 177.445 176.915 0.530 18081 300 1 1 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.227 -0.549 18081 301 1 1 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.755 0.240 18081 302 1 1 . 1 1 57 57 GLN N N 57 122.020 122.020 124.749 -2.729 18081 303 1 1 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.045 -0.155 18081 304 1 1 . 1 1 57 57 GLN C C 57 176.735 176.735 176.668 0.067 18081 305 1 1 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.364 0.508 18081 306 1 1 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.755 -0.912 18081 307 1 1 . 1 1 57 57 GLN H H 57 8.466 8.466 8.207 0.259 18081 308 1 1 . 1 1 58 58 GLY N N 58 112.805 112.805 111.233 1.572 18081 309 1 1 . 1 1 58 58 GLY C C 58 172.686 172.686 173.400 -0.714 18081 310 1 1 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.016 1.357 18081 311 1 1 . 1 1 58 58 GLY H H 58 8.713 8.713 8.706 0.007 18081 312 1 1 . 1 1 59 59 ALA N N 59 122.839 122.839 124.855 -2.016 18081 313 1 1 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.657 -0.106 18081 314 1 1 . 1 1 59 59 ALA C C 59 176.659 176.659 176.741 -0.082 18081 315 1 1 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.686 0.046 18081 316 1 1 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.091 -0.367 18081 317 1 1 . 1 1 59 59 ALA H H 59 6.982 6.982 7.444 -0.462 18081 318 1 1 . 1 1 60 60 GLU N N 60 123.390 123.390 119.393 3.997 18081 319 1 1 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.271 0.036 18081 320 1 1 . 1 1 60 60 GLU C C 60 173.876 173.876 175.378 -1.502 18081 321 1 1 . 1 1 60 60 GLU CA C 60 56.828 56.828 57.270 -0.442 18081 322 1 1 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.718 -0.404 18081 323 1 1 . 1 1 60 60 GLU H H 60 8.260 8.260 8.215 0.045 18081 324 1 1 . 1 1 61 61 ILE N N 61 130.883 130.883 121.189 9.694 18081 325 1 1 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.538 0.284 18081 326 1 1 . 1 1 61 61 ILE C C 61 175.267 175.267 175.288 -0.021 18081 327 1 1 . 1 1 61 61 ILE CA C 61 57.423 57.423 59.029 -1.606 18081 328 1 1 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.711 -3.959 18081 329 1 1 . 1 1 61 61 ILE H H 61 9.103 9.103 8.302 0.801 18081 330 1 1 . 1 1 62 62 VAL N N 62 127.879 127.879 121.945 5.934 18081 331 1 1 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.125 -0.777 18081 332 1 1 . 1 1 62 62 VAL C C 62 175.598 175.598 175.710 -0.112 18081 333 1 1 . 1 1 62 62 VAL CA C 62 60.743 60.743 59.842 0.901 18081 334 1 1 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.682 -0.478 18081 335 1 1 . 1 1 62 62 VAL H H 62 8.992 8.992 8.071 0.921 18081 336 1 1 . 1 1 63 63 PHE N N 63 125.354 125.354 128.669 -3.315 18081 337 1 1 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.442 0.551 18081 338 1 1 . 1 1 63 63 PHE C C 63 175.507 175.507 175.205 0.302 18081 339 1 1 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.337 -1.530 18081 340 1 1 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.848 -0.240 18081 341 1 1 . 1 1 63 63 PHE H H 63 9.521 9.521 8.471 1.050 18081 342 1 1 . 1 1 64 64 LYS N N 64 123.471 123.471 122.241 1.230 18081 343 1 1 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.174 -0.081 18081 344 1 1 . 1 1 64 64 LYS C C 64 175.877 175.877 175.274 0.603 18081 345 1 1 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.468 -1.087 18081 346 1 1 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.389 -1.320 18081 347 1 1 . 1 1 64 64 LYS H H 64 8.977 8.977 8.505 0.472 18081 348 1 1 . 1 1 65 65 ILE N N 65 125.792 125.792 125.020 0.772 18081 349 1 1 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.497 0.306 18081 350 1 1 . 1 1 65 65 ILE C C 65 175.724 175.724 175.786 -0.062 18081 351 1 1 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.134 -0.370 18081 352 1 1 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.780 0.608 18081 353 1 1 . 1 1 65 65 ILE H H 65 9.390 9.390 8.303 1.087 18081 354 1 1 . 1 1 66 66 THR N N 66 119.455 119.455 120.260 -0.805 18081 355 1 1 . 1 1 66 66 THR HA H 66 4.583 4.583 4.590 -0.007 18081 356 1 1 . 1 1 66 66 THR C C 66 170.978 170.978 172.372 -1.394 18081 357 1 1 . 1 1 66 66 THR CA C 66 61.233 61.233 61.225 0.008 18081 358 1 1 . 1 1 66 66 THR CB C 66 70.456 70.456 69.750 0.706 18081 359 1 1 . 1 1 66 66 THR H H 66 8.176 8.176 8.336 -0.160 18081 360 1 1 . 1 1 67 67 SER N N 67 115.523 115.523 121.484 -5.961 18081 361 1 1 . 1 1 67 67 SER HA H 67 6.316 6.316 5.084 1.232 18081 362 1 1 . 1 1 67 67 SER C C 67 174.516 174.516 172.706 1.810 18081 363 1 1 . 1 1 67 67 SER CA C 67 51.222 51.222 54.693 -3.470 18081 364 1 1 . 1 1 67 67 SER CB C 67 66.501 66.501 66.013 0.488 18081 365 1 1 . 1 1 67 67 SER H H 67 7.190 7.190 8.258 -1.068 18081 366 1 1 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.320 0.508 18081 367 1 1 . 1 1 68 68 PRO C C 68 174.360 174.360 175.755 -1.395 18081 368 1 1 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.703 -2.135 18081 369 1 1 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.053 0.436 18081 370 1 1 . 1 1 69 69 ASP N N 69 120.505 120.505 116.964 3.541 18081 371 1 1 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.857 -0.109 18081 372 1 1 . 1 1 69 69 ASP C C 69 173.775 173.775 174.315 -0.540 18081 373 1 1 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.191 1.258 18081 374 1 1 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.535 -0.554 18081 375 1 1 . 1 1 69 69 ASP H H 69 8.594 8.594 8.228 0.366 18081 376 1 1 . 1 1 70 70 VAL N N 70 120.074 120.074 114.615 5.459 18081 377 1 1 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.426 0.148 18081 378 1 1 . 1 1 70 70 VAL C C 70 174.866 174.866 173.876 0.990 18081 379 1 1 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.191 -0.961 18081 380 1 1 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.886 0.174 18081 381 1 1 . 1 1 70 70 VAL H H 70 10.855 10.855 7.568 3.287 18081 382 1 1 . 1 1 71 71 ILE N N 71 121.272 121.272 122.403 -1.131 18081 383 1 1 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.193 0.245 18081 384 1 1 . 1 1 71 71 ILE CA C 71 62.434 62.434 61.459 0.975 18081 385 1 1 . 1 1 71 71 ILE CB C 71 38.521 38.521 39.061 -0.540 18081 386 1 1 . 1 1 71 71 ILE H H 71 7.670 7.670 8.388 -0.718 18081 387 1 1 . 1 1 73 73 GLY C C 73 172.580 172.580 173.063 -0.483 18081 388 1 1 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.280 -0.866 18081 389 1 1 . 1 1 74 74 PHE N N 74 123.714 123.714 115.056 8.658 18081 390 1 1 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.847 -0.562 18081 391 1 1 . 1 1 74 74 PHE C C 74 171.502 171.502 173.701 -2.199 18081 392 1 1 . 1 1 74 74 PHE CA C 74 58.697 58.697 56.125 2.572 18081 393 1 1 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.818 -0.023 18081 394 1 1 . 1 1 74 74 PHE H H 74 8.712 8.712 7.288 1.424 18081 395 1 1 . 1 1 75 75 HIS N N 75 124.835 124.835 123.312 1.523 18081 396 1 1 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.885 0.573 18081 397 1 1 . 1 1 75 75 HIS C C 75 172.817 172.817 173.722 -0.905 18081 398 1 1 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.018 -2.595 18081 399 1 1 . 1 1 75 75 HIS CB C 75 29.523 29.523 30.657 -1.133 18081 400 1 1 . 1 1 75 75 HIS H H 75 7.786 7.786 8.405 -0.619 18081 401 1 1 . 1 1 76 76 VAL N N 76 124.569 124.569 126.831 -2.262 18081 402 1 1 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.162 0.131 18081 403 1 1 . 1 1 76 76 VAL C C 76 175.843 175.843 175.090 0.753 18081 404 1 1 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.618 1.081 18081 405 1 1 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.038 -3.670 18081 406 1 1 . 1 1 76 76 VAL H H 76 6.558 6.558 8.271 -1.713 18081 407 1 1 . 1 1 77 77 GLU N N 77 132.091 132.091 125.995 6.096 18081 408 1 1 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.163 -0.274 18081 409 1 1 . 1 1 77 77 GLU C C 77 176.941 176.941 177.766 -0.825 18081 410 1 1 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.539 1.158 18081 411 1 1 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.098 0.117 18081 412 1 1 . 1 1 77 77 GLU H H 77 8.977 8.977 8.419 0.558 18081 413 1 1 . 1 1 78 78 GLY N N 78 111.143 111.143 107.802 3.341 18081 414 1 1 . 1 1 78 78 GLY C C 78 174.152 174.152 174.140 0.012 18081 415 1 1 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.969 -0.709 18081 416 1 1 . 1 1 78 78 GLY H H 78 8.052 8.052 8.877 -0.825 18081 417 1 1 . 1 1 79 79 THR N N 79 109.705 109.705 115.452 -5.747 18081 418 1 1 . 1 1 79 79 THR HA H 79 4.949 4.949 4.491 0.458 18081 419 1 1 . 1 1 79 79 THR C C 79 173.397 173.397 173.129 0.268 18081 420 1 1 . 1 1 79 79 THR CA C 79 60.076 60.076 60.972 -0.896 18081 421 1 1 . 1 1 79 79 THR CB C 79 72.829 72.829 71.454 1.375 18081 422 1 1 . 1 1 79 79 THR H H 79 7.810 7.810 7.560 0.250 18081 423 1 1 . 1 1 80 80 ASN N N 80 116.427 116.427 121.779 -5.352 18081 424 1 1 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.769 0.151 18081 425 1 1 . 1 1 80 80 ASN C C 80 175.665 175.665 174.105 1.560 18081 426 1 1 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.195 -1.172 18081 427 1 1 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.419 0.113 18081 428 1 1 . 1 1 80 80 ASN H H 80 7.856 7.856 8.772 -0.916 18081 429 1 1 . 1 1 81 81 ILE N N 81 121.552 121.552 122.029 -0.477 18081 430 1 1 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.796 0.001 18081 431 1 1 . 1 1 81 81 ILE C C 81 176.564 176.564 174.504 2.060 18081 432 1 1 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.733 0.790 18081 433 1 1 . 1 1 81 81 ILE CB C 81 38.101 38.101 37.812 0.289 18081 434 1 1 . 1 1 81 81 ILE H H 81 8.493 8.493 7.544 0.949 18081 435 1 1 . 1 1 82 82 ASN N N 82 131.507 131.507 127.878 3.629 18081 436 1 1 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.744 0.407 18081 437 1 1 . 1 1 82 82 ASN C C 82 173.025 173.025 174.061 -1.036 18081 438 1 1 . 1 1 82 82 ASN CA C 82 54.267 54.267 52.124 2.143 18081 439 1 1 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.614 0.192 18081 440 1 1 . 1 1 82 82 ASN H H 82 8.911 8.911 8.482 0.429 18081 441 1 1 . 1 1 83 83 VAL N N 83 120.866 120.866 120.761 0.105 18081 442 1 1 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.361 0.304 18081 443 1 1 . 1 1 83 83 VAL C C 83 173.954 173.954 173.984 -0.030 18081 444 1 1 . 1 1 83 83 VAL CA C 83 60.120 60.120 60.678 -0.559 18081 445 1 1 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.632 3.021 18081 446 1 1 . 1 1 83 83 VAL H H 83 8.356 8.356 7.886 0.470 18081 447 1 1 . 1 1 84 84 GLU N N 84 125.997 125.997 125.698 0.299 18081 448 1 1 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.331 0.256 18081 449 1 1 . 1 1 84 84 GLU C C 84 174.600 174.600 174.731 -0.131 18081 450 1 1 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.128 -0.101 18081 451 1 1 . 1 1 84 84 GLU CB C 84 30.809 30.809 30.947 -0.138 18081 452 1 1 . 1 1 84 84 GLU H H 84 8.534 8.534 8.145 0.389 18081 453 1 1 . 1 1 85 85 VAL N N 85 125.888 125.888 124.244 1.644 18081 454 1 1 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.263 -0.214 18081 455 1 1 . 1 1 85 85 VAL C C 85 173.256 173.256 175.243 -1.987 18081 456 1 1 . 1 1 85 85 VAL CA C 85 61.517 61.517 61.316 0.201 18081 457 1 1 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.438 -1.652 18081 458 1 1 . 1 1 85 85 VAL H H 85 8.782 8.782 8.056 0.726 18081 459 1 1 . 1 1 86 86 LEU N N 86 128.745 128.745 124.825 3.920 18081 460 1 1 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.433 0.368 18081 461 1 1 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.993 -2.059 18081 462 1 1 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.827 1.583 18081 463 1 1 . 1 1 86 86 LEU H H 86 9.131 9.131 8.265 0.866 18081 464 1 1 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.184 0.480 18081 465 1 1 . 1 1 87 87 PRO C C 87 178.454 178.454 177.168 1.286 18081 466 1 1 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.069 -0.457 18081 467 1 1 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.066 -0.861 18081 468 1 1 . 1 1 88 88 GLY N N 88 112.804 112.804 109.056 3.748 18081 469 1 1 . 1 1 88 88 GLY C C 88 173.451 173.451 172.949 0.502 18081 470 1 1 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.038 0.044 18081 471 1 1 . 1 1 88 88 GLY H H 88 9.103 9.103 8.484 0.619 18081 472 1 1 . 1 1 89 89 GLU N N 89 118.355 118.355 116.423 1.932 18081 473 1 1 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.531 0.569 18081 474 1 1 . 1 1 89 89 GLU C C 89 176.719 176.719 174.430 2.289 18081 475 1 1 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.867 -0.620 18081 476 1 1 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.288 0.575 18081 477 1 1 . 1 1 89 89 GLU H H 89 7.764 7.764 7.415 0.349 18081 478 1 1 . 1 1 90 90 VAL N N 90 127.142 127.142 124.195 2.947 18081 479 1 1 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.484 0.016 18081 480 1 1 . 1 1 90 90 VAL C C 90 176.838 176.838 174.983 1.855 18081 481 1 1 . 1 1 90 90 VAL CA C 90 61.856 61.856 62.331 -0.475 18081 482 1 1 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.236 -0.098 18081 483 1 1 . 1 1 90 90 VAL H H 90 8.830 8.830 8.051 0.779 18081 484 1 1 . 1 1 91 91 SER N N 91 127.859 127.859 123.685 4.174 18081 485 1 1 . 1 1 91 91 SER HA H 91 4.924 4.924 4.713 0.211 18081 486 1 1 . 1 1 91 91 SER C C 91 173.015 173.015 173.458 -0.443 18081 487 1 1 . 1 1 91 91 SER CA C 91 58.118 58.118 57.939 0.179 18081 488 1 1 . 1 1 91 91 SER CB C 91 63.931 63.931 64.563 -0.632 18081 489 1 1 . 1 1 91 91 SER H H 91 9.710 9.710 8.494 1.216 18081 490 1 1 . 1 1 92 92 THR N N 92 122.627 122.627 118.529 4.098 18081 491 1 1 . 1 1 92 92 THR HA H 92 5.682 5.682 5.142 0.540 18081 492 1 1 . 1 1 92 92 THR C C 92 174.480 174.480 173.323 1.157 18081 493 1 1 . 1 1 92 92 THR CA C 92 61.856 61.856 61.836 0.020 18081 494 1 1 . 1 1 92 92 THR CB C 92 70.160 70.160 70.306 -0.146 18081 495 1 1 . 1 1 92 92 THR H H 92 8.864 8.864 8.334 0.530 18081 496 1 1 . 1 1 93 93 VAL N N 93 126.698 126.698 125.045 1.653 18081 497 1 1 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.501 0.006 18081 498 1 1 . 1 1 93 93 VAL C C 93 173.002 173.002 174.200 -1.198 18081 499 1 1 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.268 0.386 18081 500 1 1 . 1 1 93 93 VAL CB C 93 35.653 35.653 34.959 0.695 18081 501 1 1 . 1 1 93 93 VAL H H 93 8.806 8.806 8.220 0.586 18081 502 1 1 . 1 1 94 94 ARG N N 94 126.396 126.396 128.044 -1.648 18081 503 1 1 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.450 0.440 18081 504 1 1 . 1 1 94 94 ARG C C 94 175.885 175.885 175.476 0.409 18081 505 1 1 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.707 -0.326 18081 506 1 1 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.000 2.588 18081 507 1 1 . 1 1 94 94 ARG H H 94 8.630 8.630 8.652 -0.022 18081 508 1 1 . 1 1 95 95 TYR N N 95 126.390 126.390 126.196 0.194 18081 509 1 1 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.702 -0.382 18081 510 1 1 . 1 1 95 95 TYR C C 95 172.683 172.683 173.730 -1.047 18081 511 1 1 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.093 1.493 18081 512 1 1 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.142 3.311 18081 513 1 1 . 1 1 95 95 TYR H H 95 9.623 9.623 8.168 1.455 18081 514 1 1 . 1 1 96 96 THR N N 96 121.396 121.396 120.150 1.246 18081 515 1 1 . 1 1 96 96 THR HA H 96 4.684 4.684 4.594 0.090 18081 516 1 1 . 1 1 96 96 THR C C 96 172.729 172.729 173.239 -0.510 18081 517 1 1 . 1 1 96 96 THR CA C 96 61.322 61.322 60.202 1.120 18081 518 1 1 . 1 1 96 96 THR CB C 96 70.160 70.160 70.204 -0.044 18081 519 1 1 . 1 1 96 96 THR H H 96 6.742 6.742 7.759 -1.017 18081 520 1 1 . 1 1 97 97 PHE N N 97 126.539 126.539 126.857 -0.318 18081 521 1 1 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.578 -0.125 18081 522 1 1 . 1 1 97 97 PHE C C 97 176.075 176.075 175.810 0.265 18081 523 1 1 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.877 1.330 18081 524 1 1 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.545 -1.637 18081 525 1 1 . 1 1 97 97 PHE H H 97 8.933 8.933 8.613 0.320 18081 526 1 1 . 1 1 98 98 LYS N N 98 123.417 123.417 118.543 4.874 18081 527 1 1 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.444 -0.051 18081 528 1 1 . 1 1 98 98 LYS C C 98 175.939 175.939 175.767 0.172 18081 529 1 1 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.380 0.403 18081 530 1 1 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.885 -0.901 18081 531 1 1 . 1 1 98 98 LYS H H 98 8.604 8.604 8.822 -0.218 18081 532 1 1 . 1 1 99 99 ARG N N 99 118.424 118.424 119.552 -1.128 18081 533 1 1 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.561 0.459 18081 534 1 1 . 1 1 99 99 ARG C C 99 174.332 174.332 173.209 1.123 18081 535 1 1 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.608 -1.006 18081 536 1 1 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.625 -0.025 18081 537 1 1 . 1 1 99 99 ARG H H 99 7.801 7.801 7.523 0.278 18081 538 1 1 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.352 0.031 18081 539 1 1 . 1 1 100 100 PRO C C 100 175.190 175.190 176.086 -0.896 18081 540 1 1 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.812 -0.244 18081 541 1 1 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.064 0.524 18081 542 1 1 . 1 1 101 101 GLY N N 101 108.626 108.626 107.295 1.331 18081 543 1 1 . 1 1 101 101 GLY C C 101 171.375 171.375 172.442 -1.067 18081 544 1 1 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.861 -0.758 18081 545 1 1 . 1 1 101 101 GLY H H 101 8.685 8.685 8.004 0.681 18081 546 1 1 . 1 1 102 102 GLU N N 102 119.327 119.327 123.317 -3.990 18081 547 1 1 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.457 0.694 18081 548 1 1 . 1 1 102 102 GLU C C 102 176.066 176.066 175.321 0.745 18081 549 1 1 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.209 0.195 18081 550 1 1 . 1 1 102 102 GLU CB C 102 31.204 31.204 30.619 0.585 18081 551 1 1 . 1 1 102 102 GLU H H 102 8.144 8.144 8.381 -0.237 18081 552 1 1 . 1 1 103 103 TYR N N 103 125.807 125.807 120.800 5.007 18081 553 1 1 . 1 1 103 103 TYR HA H 103 4.646 4.646 5.005 -0.359 18081 554 1 1 . 1 1 103 103 TYR C C 103 174.711 174.711 173.949 0.762 18081 555 1 1 . 1 1 103 103 TYR CA C 103 56.338 56.338 57.034 -0.696 18081 556 1 1 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.502 -0.312 18081 557 1 1 . 1 1 103 103 TYR H H 103 9.687 9.687 7.854 1.833 18081 558 1 1 . 1 1 104 104 ARG N N 104 124.463 124.463 121.926 2.537 18081 559 1 1 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.732 -0.105 18081 560 1 1 . 1 1 104 104 ARG C C 104 174.570 174.570 174.454 0.116 18081 561 1 1 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.845 0.920 18081 562 1 1 . 1 1 104 104 ARG CB C 104 31.698 31.698 30.362 1.336 18081 563 1 1 . 1 1 104 104 ARG H H 104 8.902 8.902 8.812 0.090 18081 564 1 1 . 1 1 105 105 ILE N N 105 124.589 124.589 121.910 2.679 18081 565 1 1 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.606 -0.237 18081 566 1 1 . 1 1 105 105 ILE C C 105 175.576 175.576 173.925 1.651 18081 567 1 1 . 1 1 105 105 ILE CA C 105 59.935 59.935 60.100 -0.165 18081 568 1 1 . 1 1 105 105 ILE CB C 105 39.811 39.811 41.963 -2.152 18081 569 1 1 . 1 1 105 105 ILE H H 105 8.289 8.289 7.885 0.404 18081 570 1 1 . 1 1 106 106 ILE N N 106 121.777 121.777 125.206 -3.429 18081 571 1 1 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.459 0.579 18081 572 1 1 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.617 -1.394 18081 573 1 1 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.070 3.405 18081 574 1 1 . 1 1 106 106 ILE H H 106 8.765 8.765 8.564 0.201 18081 575 1 1 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.502 -0.380 18081 576 1 1 . 1 1 109 109 GLN C C 109 175.724 175.724 175.874 -0.150 18081 577 1 1 . 1 1 109 109 GLN CA C 109 56.472 56.472 54.821 1.651 18081 578 1 1 . 1 1 109 109 GLN CB C 109 29.128 29.128 26.685 2.443 18081 579 1 1 . 1 1 110 110 TYR N N 110 120.856 120.856 119.935 0.921 18081 580 1 1 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.028 0.461 18081 581 1 1 . 1 1 110 110 TYR CA C 110 57.985 57.985 61.727 -3.742 18081 582 1 1 . 1 1 110 110 TYR CB C 110 37.927 37.927 36.774 1.153 18081 583 1 1 . 1 1 110 110 TYR H H 110 8.191 8.191 8.199 -0.008 18081 584 1 1 . 1 1 111 111 CYS N N 111 120.561 120.561 118.972 1.589 18081 585 1 1 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.438 -0.055 18081 586 1 1 . 1 1 111 111 CYS C C 111 174.692 174.692 175.444 -0.752 18081 587 1 1 . 1 1 111 111 CYS CA C 111 58.617 58.617 60.470 -1.853 18081 588 1 1 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.860 -0.884 18081 589 1 1 . 1 1 111 111 CYS H H 111 8.166 8.166 8.350 -0.184 18081 590 1 1 . 1 1 112 112 GLY N N 112 111.467 111.467 110.135 1.332 18081 591 1 1 . 1 1 112 112 GLY C C 112 173.900 173.900 174.893 -0.993 18081 592 1 1 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.976 0.169 18081 593 1 1 . 1 1 112 112 GLY H H 112 8.239 8.239 7.560 0.679 18081 594 1 1 . 1 1 113 113 LEU N N 113 122.150 122.150 120.431 1.719 18081 595 1 1 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.117 0.207 18081 596 1 1 . 1 1 113 113 LEU C C 113 178.068 178.068 177.078 0.990 18081 597 1 1 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.017 -0.299 18081 598 1 1 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.721 0.358 18081 599 1 1 . 1 1 113 113 LEU H H 113 8.179 8.179 8.069 0.110 18081 600 1 1 . 1 1 114 114 GLY N N 114 109.278 109.278 105.736 3.542 18081 601 1 1 . 1 1 114 114 GLY C C 114 174.142 174.142 173.931 0.211 18081 602 1 1 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.311 0.038 18081 603 1 1 . 1 1 114 114 GLY H H 114 8.393 8.393 8.484 -0.091 18081 604 1 1 . 1 1 117 117 ASN N N 117 120.387 120.387 118.350 2.037 18081 605 1 1 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.466 0.212 18081 606 1 1 . 1 1 117 117 ASN C C 117 174.422 174.422 174.883 -0.461 18081 607 1 1 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.565 -0.386 18081 608 1 1 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.825 0.190 18081 609 1 1 . 1 1 117 117 ASN H H 117 8.522 8.522 8.136 0.386 18081 610 1 1 . 1 1 118 118 MET N N 118 120.526 120.526 117.335 3.191 18081 611 1 1 . 1 1 118 118 MET C C 118 173.321 173.321 175.124 -1.803 18081 612 1 1 . 1 1 118 118 MET CA C 118 55.360 55.360 53.936 1.424 18081 613 1 1 . 1 1 118 118 MET CB C 118 34.467 34.467 36.106 -1.639 18081 614 1 1 . 1 1 118 118 MET H H 118 7.981 7.981 8.008 -0.027 18081 615 1 1 . 1 1 119 119 PHE N N 119 119.704 119.704 119.782 -0.078 18081 616 1 1 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.479 1.343 18081 617 1 1 . 1 1 119 119 PHE C C 119 174.894 174.894 176.221 -1.327 18081 618 1 1 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.403 -1.287 18081 619 1 1 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.764 2.613 18081 620 1 1 . 1 1 119 119 PHE H H 119 8.068 8.068 8.588 -0.520 18081 621 1 1 . 1 1 120 120 GLY N N 120 109.869 109.869 111.474 -1.605 18081 622 1 1 . 1 1 120 120 GLY C C 120 172.817 172.817 173.604 -0.787 18081 623 1 1 . 1 1 120 120 GLY CA C 120 44.281 44.281 45.488 -1.207 18081 624 1 1 . 1 1 120 120 GLY H H 120 8.984 8.984 8.558 0.426 18081 625 1 1 . 1 1 121 121 THR N N 121 115.820 115.820 115.371 0.449 18081 626 1 1 . 1 1 121 121 THR HA H 121 5.068 5.068 4.520 0.548 18081 627 1 1 . 1 1 121 121 THR C C 121 173.062 173.062 173.330 -0.268 18081 628 1 1 . 1 1 121 121 THR CA C 121 62.745 62.745 62.284 0.461 18081 629 1 1 . 1 1 121 121 THR CB C 121 72.533 72.533 71.579 0.954 18081 630 1 1 . 1 1 121 121 THR H H 121 8.123 8.123 8.393 -0.270 18081 631 1 1 . 1 1 122 122 ILE N N 122 127.420 127.420 126.952 0.468 18081 632 1 1 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.399 0.436 18081 633 1 1 . 1 1 122 122 ILE C C 122 174.260 174.260 173.381 0.879 18081 634 1 1 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.312 -0.236 18081 635 1 1 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.986 -2.587 18081 636 1 1 . 1 1 122 122 ILE H H 122 9.152 9.152 8.643 0.509 18081 637 1 1 . 1 1 123 123 VAL N N 123 130.032 130.032 124.472 5.560 18081 638 1 1 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.109 0.270 18081 639 1 1 . 1 1 123 123 VAL C C 123 174.012 174.012 174.081 -0.069 18081 640 1 1 . 1 1 123 123 VAL CA C 123 61.811 61.811 60.784 1.027 18081 641 1 1 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.206 -1.926 18081 642 1 1 . 1 1 123 123 VAL H H 123 9.601 9.601 8.277 1.324 18081 643 1 1 . 1 1 124 124 VAL N N 124 128.765 128.765 126.171 2.594 18081 644 1 1 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.481 0.218 18081 645 1 1 . 1 1 124 124 VAL C C 124 177.239 177.239 175.359 1.880 18081 646 1 1 . 1 1 124 124 VAL CA C 124 60.565 60.565 60.394 0.171 18081 647 1 1 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.168 -1.865 18081 648 1 1 . 1 1 124 124 VAL H H 124 9.056 9.056 7.892 1.164 18081 649 1 1 . 1 1 125 125 LYS N N 125 129.953 129.953 126.793 3.160 18081 650 1 1 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.576 -0.235 18081 651 1 1 . 1 1 125 125 LYS C C 125 175.317 175.317 176.124 -0.807 18081 652 1 1 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.550 1.899 18081 653 1 1 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.524 0.053 18081 654 1 1 . 1 1 125 125 LYS H H 125 8.854 8.854 8.509 0.345 18081 655 1 2 . 1 1 2 2 VAL N N 2 126.137 126.137 118.572 7.565 18081 656 1 2 . 1 1 2 2 VAL HA H 2 4.026 4.026 3.835 0.191 18081 657 1 2 . 1 1 2 2 VAL C C 2 176.484 176.484 174.640 1.844 18081 658 1 2 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.864 -0.296 18081 659 1 2 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.240 1.151 18081 660 1 2 . 1 1 2 2 VAL H H 2 8.035 8.035 7.876 0.159 18081 661 1 2 . 1 1 3 3 ILE N N 3 124.059 124.059 118.675 5.384 18081 662 1 2 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.750 -0.255 18081 663 1 2 . 1 1 3 3 ILE C C 3 174.606 174.606 175.368 -0.762 18081 664 1 2 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.855 -0.470 18081 665 1 2 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.279 1.242 18081 666 1 2 . 1 1 3 3 ILE H H 3 7.856 7.856 7.905 -0.049 18081 667 1 2 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.749 -0.376 18081 668 1 2 . 1 1 4 4 PRO C C 4 176.585 176.585 176.151 0.434 18081 669 1 2 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.371 0.819 18081 670 1 2 . 1 1 4 4 PRO CB C 4 31.964 31.964 33.016 -1.052 18081 671 1 2 . 1 1 5 5 ALA N N 5 125.371 125.371 121.282 4.089 18081 672 1 2 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.522 -0.235 18081 673 1 2 . 1 1 5 5 ALA C C 5 178.454 178.454 176.103 2.351 18081 674 1 2 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.113 0.622 18081 675 1 2 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.539 -0.496 18081 676 1 2 . 1 1 5 5 ALA H H 5 8.458 8.458 8.613 -0.155 18081 677 1 2 . 1 1 6 6 GLY N N 6 108.626 108.626 107.903 0.723 18081 678 1 2 . 1 1 6 6 GLY C C 6 173.996 173.996 172.982 1.014 18081 679 1 2 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.565 -0.394 18081 680 1 2 . 1 1 6 6 GLY H H 6 8.378 8.378 7.638 0.740 18081 681 1 2 . 1 1 7 7 LYS N N 7 121.320 121.320 118.685 2.635 18081 682 1 2 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.057 0.272 18081 683 1 2 . 1 1 7 7 LYS C C 7 176.362 176.362 176.659 -0.297 18081 684 1 2 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.944 -0.827 18081 685 1 2 . 1 1 7 7 LYS CB C 7 32.984 32.984 32.645 0.339 18081 686 1 2 . 1 1 7 7 LYS H H 7 7.976 7.976 8.209 -0.233 18081 687 1 2 . 1 1 8 8 LEU N N 8 124.548 124.548 118.746 5.802 18081 688 1 2 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.370 0.021 18081 689 1 2 . 1 1 8 8 LEU C C 8 176.772 176.772 176.029 0.743 18081 690 1 2 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.247 -0.065 18081 691 1 2 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.495 -0.020 18081 692 1 2 . 1 1 8 8 LEU H H 8 8.283 8.283 8.265 0.018 18081 693 1 2 . 1 1 9 9 GLU N N 9 124.888 124.888 118.483 6.405 18081 694 1 2 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.465 -0.075 18081 695 1 2 . 1 1 9 9 GLU C C 9 174.919 174.919 175.544 -0.625 18081 696 1 2 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.507 0.965 18081 697 1 2 . 1 1 9 9 GLU CB C 9 30.611 30.611 31.095 -0.484 18081 698 1 2 . 1 1 9 9 GLU H H 9 8.679 8.679 8.638 0.041 18081 699 1 2 . 1 1 10 10 ARG N N 10 123.557 123.557 123.361 0.196 18081 700 1 2 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.659 0.313 18081 701 1 2 . 1 1 10 10 ARG C C 10 175.727 175.727 176.129 -0.402 18081 702 1 2 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.933 -0.848 18081 703 1 2 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.847 0.698 18081 704 1 2 . 1 1 10 10 ARG H H 10 8.248 8.248 8.571 -0.323 18081 705 1 2 . 1 1 11 11 VAL N N 11 118.077 118.077 113.993 4.084 18081 706 1 2 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.475 -0.095 18081 707 1 2 . 1 1 11 11 VAL C C 11 173.297 173.297 173.843 -0.546 18081 708 1 2 . 1 1 11 11 VAL CA C 11 59.586 59.586 60.244 -0.658 18081 709 1 2 . 1 1 11 11 VAL CB C 11 34.763 34.763 35.069 -0.306 18081 710 1 2 . 1 1 11 11 VAL H H 11 8.039 8.039 7.966 0.073 18081 711 1 2 . 1 1 12 12 ASP N N 12 123.786 123.786 117.322 6.464 18081 712 1 2 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.096 -0.145 18081 713 1 2 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.791 -1.192 18081 714 1 2 . 1 1 12 12 ASP CB C 12 41.388 41.388 44.199 -2.811 18081 715 1 2 . 1 1 12 12 ASP H H 12 8.313 8.313 8.263 0.050 18081 716 1 2 . 1 1 13 13 PRO C C 13 177.705 177.705 178.137 -0.432 18081 717 1 2 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.464 0.275 18081 718 1 2 . 1 1 13 13 PRO CB C 13 31.622 31.622 32.004 -0.382 18081 719 1 2 . 1 1 14 14 THR N N 14 109.188 109.188 115.108 -5.920 18081 720 1 2 . 1 1 14 14 THR HA H 14 4.252 4.252 4.025 0.227 18081 721 1 2 . 1 1 14 14 THR C C 14 176.733 176.733 175.271 1.462 18081 722 1 2 . 1 1 14 14 THR CA C 14 63.996 63.996 66.144 -2.148 18081 723 1 2 . 1 1 14 14 THR CB C 14 69.270 69.270 68.637 0.633 18081 724 1 2 . 1 1 14 14 THR H H 14 8.413 8.413 8.226 0.187 18081 725 1 2 . 1 1 15 15 THR N N 15 108.904 108.904 108.734 0.170 18081 726 1 2 . 1 1 15 15 THR HA H 15 4.733 4.733 4.545 0.188 18081 727 1 2 . 1 1 15 15 THR C C 15 177.174 177.174 174.790 2.384 18081 728 1 2 . 1 1 15 15 THR CA C 15 61.589 61.589 61.226 0.363 18081 729 1 2 . 1 1 15 15 THR CB C 15 70.654 70.654 69.503 1.151 18081 730 1 2 . 1 1 15 15 THR H H 15 7.413 7.413 7.740 -0.327 18081 731 1 2 . 1 1 16 16 VAL N N 16 122.387 122.387 123.620 -1.233 18081 732 1 2 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.828 0.370 18081 733 1 2 . 1 1 16 16 VAL C C 16 175.683 175.683 175.477 0.206 18081 734 1 2 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.202 -0.750 18081 735 1 2 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.928 -0.427 18081 736 1 2 . 1 1 16 16 VAL H H 16 7.143 7.143 7.509 -0.366 18081 737 1 2 . 1 1 17 17 ARG N N 17 115.917 115.917 113.660 2.257 18081 738 1 2 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.397 -0.126 18081 739 1 2 . 1 1 17 17 ARG C C 17 175.861 175.861 177.609 -1.748 18081 740 1 2 . 1 1 17 17 ARG CA C 17 57.050 57.050 58.055 -1.005 18081 741 1 2 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.632 0.394 18081 742 1 2 . 1 1 17 17 ARG H H 17 8.227 8.227 8.480 -0.253 18081 743 1 2 . 1 1 18 18 GLN N N 18 117.044 117.044 117.652 -0.608 18081 744 1 2 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.459 -0.060 18081 745 1 2 . 1 1 18 18 GLN C C 18 175.506 175.506 176.050 -0.544 18081 746 1 2 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.752 0.387 18081 747 1 2 . 1 1 18 18 GLN CB C 18 30.809 30.809 30.083 0.726 18081 748 1 2 . 1 1 18 18 GLN H H 18 7.765 7.765 7.434 0.331 18081 749 1 2 . 1 1 19 19 GLU N N 19 118.659 118.659 119.598 -0.939 18081 750 1 2 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.483 0.076 18081 751 1 2 . 1 1 19 19 GLU C C 19 175.081 175.081 175.073 0.008 18081 752 1 2 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.831 -0.649 18081 753 1 2 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.026 0.365 18081 754 1 2 . 1 1 19 19 GLU H H 19 8.070 8.070 8.140 -0.070 18081 755 1 2 . 1 1 20 20 GLY N N 20 113.694 113.694 112.900 0.794 18081 756 1 2 . 1 1 20 20 GLY C C 20 174.150 174.150 172.386 1.764 18081 757 1 2 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.770 -0.222 18081 758 1 2 . 1 1 20 20 GLY H H 20 8.933 8.933 8.171 0.762 18081 759 1 2 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.134 -0.461 18081 760 1 2 . 1 1 21 21 PRO C C 21 176.703 176.703 176.424 0.279 18081 761 1 2 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.382 0.499 18081 762 1 2 . 1 1 21 21 PRO CB C 21 30.037 30.037 30.985 -0.948 18081 763 1 2 . 1 1 22 22 TRP N N 22 117.898 117.898 115.589 2.309 18081 764 1 2 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.678 -0.363 18081 765 1 2 . 1 1 22 22 TRP C C 22 174.965 174.965 176.688 -1.723 18081 766 1 2 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.900 2.621 18081 767 1 2 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.838 0.433 18081 768 1 2 . 1 1 22 22 TRP H H 22 8.759 8.759 8.136 0.623 18081 769 1 2 . 1 1 23 23 ALA N N 23 120.887 120.887 121.952 -1.065 18081 770 1 2 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.504 -0.580 18081 771 1 2 . 1 1 23 23 ALA C C 23 177.520 177.520 178.248 -0.728 18081 772 1 2 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.280 1.501 18081 773 1 2 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.625 -1.077 18081 774 1 2 . 1 1 23 23 ALA H H 23 7.232 7.232 7.202 0.030 18081 775 1 2 . 1 1 24 24 ASP N N 24 115.176 115.176 117.824 -2.648 18081 776 1 2 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.115 0.071 18081 777 1 2 . 1 1 24 24 ASP C C 24 176.860 176.860 175.901 0.959 18081 778 1 2 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.474 -1.855 18081 779 1 2 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.347 -0.860 18081 780 1 2 . 1 1 24 24 ASP H H 24 7.718 7.718 7.570 0.148 18081 781 1 2 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.380 -0.081 18081 782 1 2 . 1 1 25 25 PRO C C 25 177.445 177.445 177.580 -0.135 18081 783 1 2 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.777 -0.296 18081 784 1 2 . 1 1 25 25 PRO CB C 25 31.896 31.896 31.973 -0.076 18081 785 1 2 . 1 1 26 26 ALA N N 26 120.150 120.150 120.930 -0.780 18081 786 1 2 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.272 0.033 18081 787 1 2 . 1 1 26 26 ALA C C 26 179.061 179.061 178.465 0.596 18081 788 1 2 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.956 -0.109 18081 789 1 2 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.162 0.090 18081 790 1 2 . 1 1 26 26 ALA H H 26 8.158 8.158 8.000 0.158 18081 791 1 2 . 1 1 27 27 GLN N N 27 117.617 117.617 116.809 0.808 18081 792 1 2 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.284 0.411 18081 793 1 2 . 1 1 27 27 GLN C C 27 175.309 175.309 176.379 -1.070 18081 794 1 2 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.198 -0.940 18081 795 1 2 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.252 0.480 18081 796 1 2 . 1 1 27 27 GLN H H 27 7.732 7.732 7.486 0.246 18081 797 1 2 . 1 1 28 28 ALA N N 28 122.069 122.069 123.691 -1.622 18081 798 1 2 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.204 0.177 18081 799 1 2 . 1 1 28 28 ALA C C 28 176.358 176.358 177.563 -1.205 18081 800 1 2 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.699 0.883 18081 801 1 2 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.239 1.682 18081 802 1 2 . 1 1 28 28 ALA H H 28 6.996 6.996 7.428 -0.432 18081 803 1 2 . 1 1 29 29 VAL N N 29 114.478 114.478 118.388 -3.910 18081 804 1 2 . 1 1 29 29 VAL HA H 29 4.707 4.707 3.925 0.782 18081 805 1 2 . 1 1 29 29 VAL C C 29 176.252 176.252 175.235 1.017 18081 806 1 2 . 1 1 29 29 VAL CA C 29 61.989 61.989 62.427 -0.438 18081 807 1 2 . 1 1 29 29 VAL CB C 29 31.600 31.600 31.539 0.061 18081 808 1 2 . 1 1 29 29 VAL H H 29 7.868 7.868 8.068 -0.200 18081 809 1 2 . 1 1 30 30 VAL N N 30 129.718 129.718 123.214 6.504 18081 810 1 2 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.607 -0.220 18081 811 1 2 . 1 1 30 30 VAL C C 30 175.107 175.107 175.011 0.096 18081 812 1 2 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.050 0.693 18081 813 1 2 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.977 -0.720 18081 814 1 2 . 1 1 30 30 VAL H H 30 9.556 9.556 7.938 1.618 18081 815 1 2 . 1 1 31 31 GLN N N 31 129.372 129.372 126.882 2.490 18081 816 1 2 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.324 -0.183 18081 817 1 2 . 1 1 31 31 GLN C C 31 176.413 176.413 175.660 0.753 18081 818 1 2 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.085 0.965 18081 819 1 2 . 1 1 31 31 GLN CB C 31 27.051 27.051 27.481 -0.430 18081 820 1 2 . 1 1 31 31 GLN H H 31 9.153 9.153 8.836 0.317 18081 821 1 2 . 1 1 32 32 THR N N 32 119.775 119.775 118.855 0.920 18081 822 1 2 . 1 1 32 32 THR HA H 32 4.392 4.392 4.386 0.006 18081 823 1 2 . 1 1 32 32 THR C C 32 174.102 174.102 174.674 -0.572 18081 824 1 2 . 1 1 32 32 THR CA C 32 61.678 61.678 61.972 -0.294 18081 825 1 2 . 1 1 32 32 THR CB C 32 68.775 68.775 69.668 -0.893 18081 826 1 2 . 1 1 32 32 THR H H 32 8.266 8.266 8.193 0.073 18081 827 1 2 . 1 1 33 33 GLY N N 33 111.761 111.761 109.322 2.439 18081 828 1 2 . 1 1 33 33 GLY C C 33 170.586 170.586 172.687 -2.101 18081 829 1 2 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.311 1.771 18081 830 1 2 . 1 1 33 33 GLY H H 33 7.997 7.997 7.485 0.512 18081 831 1 2 . 1 1 34 34 PRO C C 34 176.674 176.674 176.244 0.430 18081 832 1 2 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.216 0.665 18081 833 1 2 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.539 -1.178 18081 834 1 2 . 1 1 35 35 ASN N N 35 117.681 117.681 113.669 4.012 18081 835 1 2 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.673 0.181 18081 836 1 2 . 1 1 35 35 ASN C C 35 173.262 173.262 172.890 0.372 18081 837 1 2 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.780 -0.657 18081 838 1 2 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.156 0.600 18081 839 1 2 . 1 1 35 35 ASN H H 35 8.649 8.649 8.169 0.480 18081 840 1 2 . 1 1 36 36 GLN N N 36 119.276 119.276 117.101 2.175 18081 841 1 2 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.856 0.711 18081 842 1 2 . 1 1 36 36 GLN C C 36 173.292 173.292 173.979 -0.687 18081 843 1 2 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.189 0.414 18081 844 1 2 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.411 3.463 18081 845 1 2 . 1 1 36 36 GLN H H 36 6.953 6.953 7.494 -0.541 18081 846 1 2 . 1 1 37 37 TYR N N 37 125.339 125.339 124.707 0.632 18081 847 1 2 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.083 -0.019 18081 848 1 2 . 1 1 37 37 TYR C C 37 174.321 174.321 176.046 -1.725 18081 849 1 2 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.212 0.260 18081 850 1 2 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.975 0.721 18081 851 1 2 . 1 1 37 37 TYR H H 37 8.898 8.898 8.565 0.333 18081 852 1 2 . 1 1 38 38 THR N N 38 121.935 121.935 121.345 0.590 18081 853 1 2 . 1 1 38 38 THR HA H 38 5.098 5.098 4.543 0.555 18081 854 1 2 . 1 1 38 38 THR C C 38 172.253 172.253 173.957 -1.704 18081 855 1 2 . 1 1 38 38 THR CA C 38 61.589 61.589 62.433 -0.844 18081 856 1 2 . 1 1 38 38 THR CB C 38 69.764 69.764 68.392 1.372 18081 857 1 2 . 1 1 38 38 THR H H 38 9.592 9.592 8.956 0.636 18081 858 1 2 . 1 1 39 39 VAL N N 39 126.189 126.189 127.760 -1.571 18081 859 1 2 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.166 0.935 18081 860 1 2 . 1 1 39 39 VAL C C 39 174.612 174.612 174.496 0.116 18081 861 1 2 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.364 -1.733 18081 862 1 2 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.547 1.524 18081 863 1 2 . 1 1 39 39 VAL H H 39 8.710 8.710 7.892 0.818 18081 864 1 2 . 1 1 40 40 TYR N N 40 130.243 130.243 123.719 6.524 18081 865 1 2 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.067 -0.426 18081 866 1 2 . 1 1 40 40 TYR C C 40 174.840 174.840 175.895 -1.055 18081 867 1 2 . 1 1 40 40 TYR CA C 40 58.652 58.652 57.140 1.512 18081 868 1 2 . 1 1 40 40 TYR CB C 40 36.840 36.840 40.561 -3.721 18081 869 1 2 . 1 1 40 40 TYR H H 40 9.139 9.139 8.532 0.607 18081 870 1 2 . 1 1 41 41 VAL N N 41 124.415 124.415 125.537 -1.122 18081 871 1 2 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.608 0.732 18081 872 1 2 . 1 1 41 41 VAL C C 41 175.680 175.680 174.454 1.226 18081 873 1 2 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.591 -1.337 18081 874 1 2 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.577 0.285 18081 875 1 2 . 1 1 41 41 VAL H H 41 8.686 8.686 9.425 -0.739 18081 876 1 2 . 1 1 42 42 LEU N N 42 129.148 129.148 130.532 -1.384 18081 877 1 2 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.021 0.125 18081 878 1 2 . 1 1 42 42 LEU C C 42 175.161 175.161 174.892 0.269 18081 879 1 2 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.431 -0.652 18081 880 1 2 . 1 1 42 42 LEU CB C 42 45.639 45.639 45.060 0.579 18081 881 1 2 . 1 1 42 42 LEU H H 42 9.694 9.694 8.771 0.923 18081 882 1 2 . 1 1 43 43 ALA N N 43 130.434 130.434 127.104 3.330 18081 883 1 2 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.171 0.551 18081 884 1 2 . 1 1 43 43 ALA C C 43 173.292 173.292 174.423 -1.131 18081 885 1 2 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.621 -1.467 18081 886 1 2 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.491 -1.361 18081 887 1 2 . 1 1 43 43 ALA H H 43 8.679 8.679 8.042 0.637 18081 888 1 2 . 1 1 44 44 PHE N N 44 118.472 118.472 117.044 1.428 18081 889 1 2 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.495 0.714 18081 890 1 2 . 1 1 44 44 PHE C C 44 172.698 172.698 173.642 -0.944 18081 891 1 2 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.311 -1.186 18081 892 1 2 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.391 2.282 18081 893 1 2 . 1 1 44 44 PHE H H 44 7.756 7.756 7.271 0.485 18081 894 1 2 . 1 1 45 45 ALA N N 45 122.901 122.901 121.938 0.963 18081 895 1 2 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.215 -0.802 18081 896 1 2 . 1 1 45 45 ALA C C 45 177.267 177.267 176.748 0.519 18081 897 1 2 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.112 -5.829 18081 898 1 2 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.990 -3.210 18081 899 1 2 . 1 1 45 45 ALA H H 45 9.739 9.739 8.162 1.577 18081 900 1 2 . 1 1 46 46 PHE N N 46 128.515 128.515 117.175 11.340 18081 901 1 2 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.726 0.494 18081 902 1 2 . 1 1 46 46 PHE C C 46 173.387 173.387 174.900 -1.513 18081 903 1 2 . 1 1 46 46 PHE CA C 46 60.031 60.031 55.807 4.224 18081 904 1 2 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.612 1.787 18081 905 1 2 . 1 1 46 46 PHE H H 46 7.994 7.994 7.133 0.861 18081 906 1 2 . 1 1 47 47 GLY N N 47 113.741 113.741 110.979 2.762 18081 907 1 2 . 1 1 47 47 GLY C C 47 167.774 167.774 172.478 -4.704 18081 908 1 2 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.371 0.864 18081 909 1 2 . 1 1 47 47 GLY H H 47 7.796 7.796 8.028 -0.232 18081 910 1 2 . 1 1 48 48 TYR N N 48 119.637 119.637 120.389 -0.752 18081 911 1 2 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.794 0.544 18081 912 1 2 . 1 1 48 48 TYR C C 48 175.042 175.042 174.862 0.180 18081 913 1 2 . 1 1 48 48 TYR CA C 48 56.294 56.294 58.023 -1.729 18081 914 1 2 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.827 1.135 18081 915 1 2 . 1 1 48 48 TYR H H 48 8.370 8.370 8.573 -0.203 18081 916 1 2 . 1 1 49 49 GLN N N 49 121.776 121.776 124.447 -2.671 18081 917 1 2 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.893 -0.076 18081 918 1 2 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.082 -0.748 18081 919 1 2 . 1 1 49 49 GLN CB C 49 33.874 33.874 30.589 3.285 18081 920 1 2 . 1 1 49 49 GLN H H 49 9.163 9.163 8.406 0.757 18081 921 1 2 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.607 0.135 18081 922 1 2 . 1 1 50 50 PRO C C 50 174.271 174.271 175.902 -1.631 18081 923 1 2 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.865 -0.075 18081 924 1 2 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.307 2.358 18081 925 1 2 . 1 1 51 51 ASN N N 51 113.755 113.755 115.618 -1.863 18081 926 1 2 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.983 0.097 18081 927 1 2 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.821 -0.822 18081 928 1 2 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.480 2.216 18081 929 1 2 . 1 1 51 51 ASN H H 51 8.229 8.229 8.439 -0.210 18081 930 1 2 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.465 0.806 18081 931 1 2 . 1 1 52 52 PRO C C 52 176.525 176.525 175.763 0.762 18081 932 1 2 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.899 0.692 18081 933 1 2 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.146 4.761 18081 934 1 2 . 1 1 53 53 ILE N N 53 120.452 120.452 124.395 -3.943 18081 935 1 2 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.313 -0.247 18081 936 1 2 . 1 1 53 53 ILE C C 53 174.236 174.236 174.458 -0.222 18081 937 1 2 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.608 0.892 18081 938 1 2 . 1 1 53 53 ILE CB C 53 39.905 39.905 39.702 0.203 18081 939 1 2 . 1 1 53 53 ILE H H 53 8.321 8.321 8.256 0.065 18081 940 1 2 . 1 1 54 54 GLU N N 54 129.279 129.279 128.470 0.809 18081 941 1 2 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.604 0.863 18081 942 1 2 . 1 1 54 54 GLU C C 54 175.598 175.598 175.037 0.561 18081 943 1 2 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.062 -0.058 18081 944 1 2 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.406 -1.499 18081 945 1 2 . 1 1 54 54 GLU H H 54 8.458 8.458 8.513 -0.055 18081 946 1 2 . 1 1 55 55 VAL N N 55 115.767 115.767 124.169 -8.402 18081 947 1 2 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.531 0.125 18081 948 1 2 . 1 1 55 55 VAL C C 55 172.453 172.453 173.247 -0.794 18081 949 1 2 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.142 -1.403 18081 950 1 2 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.619 -0.647 18081 951 1 2 . 1 1 55 55 VAL H H 55 8.492 8.492 8.170 0.322 18081 952 1 2 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.733 -0.066 18081 953 1 2 . 1 1 56 56 PRO C C 56 177.445 177.445 176.832 0.613 18081 954 1 2 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.246 -0.568 18081 955 1 2 . 1 1 56 56 PRO CB C 56 31.995 31.995 32.028 -0.033 18081 956 1 2 . 1 1 57 57 GLN N N 57 122.020 122.020 124.235 -2.215 18081 957 1 2 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.096 -0.206 18081 958 1 2 . 1 1 57 57 GLN C C 57 176.735 176.735 176.600 0.135 18081 959 1 2 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.059 0.812 18081 960 1 2 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.933 -1.091 18081 961 1 2 . 1 1 57 57 GLN H H 57 8.466 8.466 8.261 0.205 18081 962 1 2 . 1 1 58 58 GLY N N 58 112.805 112.805 111.416 1.389 18081 963 1 2 . 1 1 58 58 GLY C C 58 172.686 172.686 173.400 -0.714 18081 964 1 2 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.029 1.343 18081 965 1 2 . 1 1 58 58 GLY H H 58 8.713 8.713 8.739 -0.026 18081 966 1 2 . 1 1 59 59 ALA N N 59 122.839 122.839 125.243 -2.404 18081 967 1 2 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.522 0.029 18081 968 1 2 . 1 1 59 59 ALA C C 59 176.659 176.659 175.944 0.715 18081 969 1 2 . 1 1 59 59 ALA CA C 59 50.732 50.732 51.028 -0.296 18081 970 1 2 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.239 -0.515 18081 971 1 2 . 1 1 59 59 ALA H H 59 6.982 6.982 7.403 -0.421 18081 972 1 2 . 1 1 60 60 GLU N N 60 123.390 123.390 118.927 4.463 18081 973 1 2 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.313 -0.006 18081 974 1 2 . 1 1 60 60 GLU C C 60 173.876 173.876 175.567 -1.691 18081 975 1 2 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.388 0.440 18081 976 1 2 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.892 -0.578 18081 977 1 2 . 1 1 60 60 GLU H H 60 8.260 8.260 8.096 0.164 18081 978 1 2 . 1 1 61 61 ILE N N 61 130.883 130.883 122.577 8.306 18081 979 1 2 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.617 0.205 18081 980 1 2 . 1 1 61 61 ILE C C 61 175.267 175.267 175.211 0.056 18081 981 1 2 . 1 1 61 61 ILE CA C 61 57.423 57.423 59.088 -1.665 18081 982 1 2 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.327 -3.575 18081 983 1 2 . 1 1 61 61 ILE H H 61 9.103 9.103 8.474 0.629 18081 984 1 2 . 1 1 62 62 VAL N N 62 127.879 127.879 127.862 0.017 18081 985 1 2 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.784 -0.436 18081 986 1 2 . 1 1 62 62 VAL C C 62 175.598 175.598 175.696 -0.098 18081 987 1 2 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.169 -0.426 18081 988 1 2 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.541 -0.337 18081 989 1 2 . 1 1 62 62 VAL H H 62 8.992 8.992 8.761 0.231 18081 990 1 2 . 1 1 63 63 PHE N N 63 125.354 125.354 128.718 -3.364 18081 991 1 2 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.373 0.620 18081 992 1 2 . 1 1 63 63 PHE C C 63 175.507 175.507 174.672 0.835 18081 993 1 2 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.229 -1.422 18081 994 1 2 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.576 0.032 18081 995 1 2 . 1 1 63 63 PHE H H 63 9.521 9.521 8.512 1.009 18081 996 1 2 . 1 1 64 64 LYS N N 64 123.471 123.471 122.538 0.933 18081 997 1 2 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.421 -0.328 18081 998 1 2 . 1 1 64 64 LYS C C 64 175.877 175.877 175.901 -0.024 18081 999 1 2 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.336 -0.955 18081 1000 1 2 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.797 -0.728 18081 1001 1 2 . 1 1 64 64 LYS H H 64 8.977 8.977 8.501 0.476 18081 1002 1 2 . 1 1 65 65 ILE N N 65 125.792 125.792 125.713 0.079 18081 1003 1 2 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.249 0.554 18081 1004 1 2 . 1 1 65 65 ILE C C 65 175.724 175.724 175.314 0.410 18081 1005 1 2 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.365 -0.601 18081 1006 1 2 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.998 0.390 18081 1007 1 2 . 1 1 65 65 ILE H H 65 9.390 9.390 8.779 0.611 18081 1008 1 2 . 1 1 66 66 THR N N 66 119.455 119.455 117.646 1.809 18081 1009 1 2 . 1 1 66 66 THR HA H 66 4.583 4.583 4.657 -0.074 18081 1010 1 2 . 1 1 66 66 THR C C 66 170.978 170.978 172.496 -1.518 18081 1011 1 2 . 1 1 66 66 THR CA C 66 61.233 61.233 61.326 -0.093 18081 1012 1 2 . 1 1 66 66 THR CB C 66 70.456 70.456 69.540 0.916 18081 1013 1 2 . 1 1 66 66 THR H H 66 8.176 8.176 8.173 0.003 18081 1014 1 2 . 1 1 67 67 SER N N 67 115.523 115.523 121.158 -5.635 18081 1015 1 2 . 1 1 67 67 SER HA H 67 6.316 6.316 5.324 0.992 18081 1016 1 2 . 1 1 67 67 SER C C 67 174.516 174.516 172.925 1.591 18081 1017 1 2 . 1 1 67 67 SER CA C 67 51.222 51.222 55.414 -4.192 18081 1018 1 2 . 1 1 67 67 SER CB C 67 66.501 66.501 65.272 1.229 18081 1019 1 2 . 1 1 67 67 SER H H 67 7.190 7.190 8.437 -1.247 18081 1020 1 2 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.411 0.417 18081 1021 1 2 . 1 1 68 68 PRO C C 68 174.360 174.360 175.920 -1.560 18081 1022 1 2 . 1 1 68 68 PRO CA C 68 62.568 62.568 65.019 -2.451 18081 1023 1 2 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.283 0.206 18081 1024 1 2 . 1 1 69 69 ASP N N 69 120.505 120.505 116.493 4.012 18081 1025 1 2 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.879 -0.131 18081 1026 1 2 . 1 1 69 69 ASP C C 69 173.775 173.775 174.553 -0.778 18081 1027 1 2 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.819 1.630 18081 1028 1 2 . 1 1 69 69 ASP CB C 69 41.981 41.981 41.234 0.746 18081 1029 1 2 . 1 1 69 69 ASP H H 69 8.594 8.594 8.469 0.126 18081 1030 1 2 . 1 1 70 70 VAL N N 70 120.074 120.074 116.028 4.046 18081 1031 1 2 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.378 0.196 18081 1032 1 2 . 1 1 70 70 VAL C C 70 174.866 174.866 174.623 0.243 18081 1033 1 2 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.159 -0.928 18081 1034 1 2 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.791 0.269 18081 1035 1 2 . 1 1 70 70 VAL H H 70 10.855 10.855 7.787 3.068 18081 1036 1 2 . 1 1 71 71 ILE N N 71 121.272 121.272 126.092 -4.820 18081 1037 1 2 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.399 0.039 18081 1038 1 2 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.578 1.856 18081 1039 1 2 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.972 0.549 18081 1040 1 2 . 1 1 71 71 ILE H H 71 7.670 7.670 8.663 -0.993 18081 1041 1 2 . 1 1 73 73 GLY C C 73 172.580 172.580 171.776 0.804 18081 1042 1 2 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.530 -0.116 18081 1043 1 2 . 1 1 74 74 PHE N N 74 123.714 123.714 115.742 7.972 18081 1044 1 2 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.045 -0.760 18081 1045 1 2 . 1 1 74 74 PHE C C 74 171.502 171.502 173.195 -1.693 18081 1046 1 2 . 1 1 74 74 PHE CA C 74 58.697 58.697 56.859 1.838 18081 1047 1 2 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.935 -0.140 18081 1048 1 2 . 1 1 74 74 PHE H H 74 8.712 8.712 7.519 1.193 18081 1049 1 2 . 1 1 75 75 HIS N N 75 124.835 124.835 123.244 1.591 18081 1050 1 2 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.809 0.649 18081 1051 1 2 . 1 1 75 75 HIS C C 75 172.817 172.817 173.921 -1.104 18081 1052 1 2 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.084 -2.661 18081 1053 1 2 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.222 -1.699 18081 1054 1 2 . 1 1 75 75 HIS H H 75 7.786 7.786 8.910 -1.124 18081 1055 1 2 . 1 1 76 76 VAL N N 76 124.569 124.569 126.126 -1.557 18081 1056 1 2 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.987 0.306 18081 1057 1 2 . 1 1 76 76 VAL C C 76 175.843 175.843 174.985 0.858 18081 1058 1 2 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.445 0.254 18081 1059 1 2 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.208 -3.840 18081 1060 1 2 . 1 1 76 76 VAL H H 76 6.558 6.558 8.077 -1.519 18081 1061 1 2 . 1 1 77 77 GLU N N 77 132.091 132.091 126.393 5.698 18081 1062 1 2 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.069 -0.180 18081 1063 1 2 . 1 1 77 77 GLU C C 77 176.941 176.941 177.588 -0.647 18081 1064 1 2 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.965 1.732 18081 1065 1 2 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.853 0.362 18081 1066 1 2 . 1 1 77 77 GLU H H 77 8.977 8.977 8.142 0.835 18081 1067 1 2 . 1 1 78 78 GLY N N 78 111.143 111.143 107.754 3.389 18081 1068 1 2 . 1 1 78 78 GLY C C 78 174.152 174.152 174.100 0.052 18081 1069 1 2 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.865 -0.605 18081 1070 1 2 . 1 1 78 78 GLY H H 78 8.052 8.052 8.743 -0.691 18081 1071 1 2 . 1 1 79 79 THR N N 79 109.705 109.705 118.167 -8.462 18081 1072 1 2 . 1 1 79 79 THR HA H 79 4.949 4.949 4.571 0.378 18081 1073 1 2 . 1 1 79 79 THR C C 79 173.397 173.397 173.587 -0.190 18081 1074 1 2 . 1 1 79 79 THR CA C 79 60.076 60.076 60.750 -0.674 18081 1075 1 2 . 1 1 79 79 THR CB C 79 72.829 72.829 71.518 1.311 18081 1076 1 2 . 1 1 79 79 THR H H 79 7.810 7.810 7.709 0.101 18081 1077 1 2 . 1 1 80 80 ASN N N 80 116.427 116.427 121.833 -5.406 18081 1078 1 2 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.774 0.146 18081 1079 1 2 . 1 1 80 80 ASN C C 80 175.665 175.665 174.692 0.973 18081 1080 1 2 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.072 -1.049 18081 1081 1 2 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.234 0.298 18081 1082 1 2 . 1 1 80 80 ASN H H 80 7.856 7.856 8.778 -0.922 18081 1083 1 2 . 1 1 81 81 ILE N N 81 121.552 121.552 122.698 -1.146 18081 1084 1 2 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.073 -0.276 18081 1085 1 2 . 1 1 81 81 ILE C C 81 176.564 176.564 174.095 2.469 18081 1086 1 2 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.151 1.372 18081 1087 1 2 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.250 -0.149 18081 1088 1 2 . 1 1 81 81 ILE H H 81 8.493 8.493 7.934 0.559 18081 1089 1 2 . 1 1 82 82 ASN N N 82 131.507 131.507 127.660 3.847 18081 1090 1 2 . 1 1 82 82 ASN HA H 82 5.151 5.151 5.010 0.141 18081 1091 1 2 . 1 1 82 82 ASN C C 82 173.025 173.025 174.186 -1.161 18081 1092 1 2 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.486 2.781 18081 1093 1 2 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.546 1.260 18081 1094 1 2 . 1 1 82 82 ASN H H 82 8.911 8.911 8.543 0.368 18081 1095 1 2 . 1 1 83 83 VAL N N 83 120.866 120.866 119.172 1.694 18081 1096 1 2 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.349 0.316 18081 1097 1 2 . 1 1 83 83 VAL C C 83 173.954 173.954 174.696 -0.742 18081 1098 1 2 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.175 -1.055 18081 1099 1 2 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.121 2.532 18081 1100 1 2 . 1 1 83 83 VAL H H 83 8.356 8.356 8.066 0.290 18081 1101 1 2 . 1 1 84 84 GLU N N 84 125.997 125.997 126.931 -0.934 18081 1102 1 2 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.450 0.137 18081 1103 1 2 . 1 1 84 84 GLU C C 84 174.600 174.600 175.166 -0.566 18081 1104 1 2 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.291 0.736 18081 1105 1 2 . 1 1 84 84 GLU CB C 84 30.809 30.809 30.656 0.153 18081 1106 1 2 . 1 1 84 84 GLU H H 84 8.534 8.534 8.458 0.076 18081 1107 1 2 . 1 1 85 85 VAL N N 85 125.888 125.888 124.737 1.151 18081 1108 1 2 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.228 -0.179 18081 1109 1 2 . 1 1 85 85 VAL C C 85 173.256 173.256 174.168 -0.912 18081 1110 1 2 . 1 1 85 85 VAL CA C 85 61.517 61.517 61.742 -0.225 18081 1111 1 2 . 1 1 85 85 VAL CB C 85 32.786 32.786 32.866 -0.080 18081 1112 1 2 . 1 1 85 85 VAL H H 85 8.782 8.782 8.292 0.490 18081 1113 1 2 . 1 1 86 86 LEU N N 86 128.745 128.745 127.457 1.288 18081 1114 1 2 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.779 0.022 18081 1115 1 2 . 1 1 86 86 LEU CA C 86 51.934 51.934 51.926 0.008 18081 1116 1 2 . 1 1 86 86 LEU CB C 86 42.410 42.410 43.358 -0.948 18081 1117 1 2 . 1 1 86 86 LEU H H 86 9.131 9.131 8.321 0.810 18081 1118 1 2 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.480 0.184 18081 1119 1 2 . 1 1 87 87 PRO C C 87 178.454 178.454 177.703 0.751 18081 1120 1 2 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.046 -0.434 18081 1121 1 2 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.108 -0.902 18081 1122 1 2 . 1 1 88 88 GLY N N 88 112.804 112.804 111.315 1.489 18081 1123 1 2 . 1 1 88 88 GLY C C 88 173.451 173.451 173.589 -0.138 18081 1124 1 2 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.291 -0.209 18081 1125 1 2 . 1 1 88 88 GLY H H 88 9.103 9.103 8.858 0.245 18081 1126 1 2 . 1 1 89 89 GLU N N 89 118.355 118.355 117.983 0.372 18081 1127 1 2 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.709 0.391 18081 1128 1 2 . 1 1 89 89 GLU C C 89 176.719 176.719 174.291 2.428 18081 1129 1 2 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.571 -0.324 18081 1130 1 2 . 1 1 89 89 GLU CB C 89 32.863 32.863 34.399 -1.536 18081 1131 1 2 . 1 1 89 89 GLU H H 89 7.764 7.764 7.420 0.344 18081 1132 1 2 . 1 1 90 90 VAL N N 90 127.142 127.142 119.191 7.951 18081 1133 1 2 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.192 -0.692 18081 1134 1 2 . 1 1 90 90 VAL C C 90 176.838 176.838 176.440 0.398 18081 1135 1 2 . 1 1 90 90 VAL CA C 90 61.856 61.856 60.517 1.339 18081 1136 1 2 . 1 1 90 90 VAL CB C 90 33.138 33.138 35.072 -1.934 18081 1137 1 2 . 1 1 90 90 VAL H H 90 8.830 8.830 8.426 0.404 18081 1138 1 2 . 1 1 91 91 SER N N 91 127.859 127.859 121.215 6.644 18081 1139 1 2 . 1 1 91 91 SER HA H 91 4.924 4.924 4.869 0.055 18081 1140 1 2 . 1 1 91 91 SER C C 91 173.015 173.015 173.784 -0.769 18081 1141 1 2 . 1 1 91 91 SER CA C 91 58.118 58.118 56.864 1.254 18081 1142 1 2 . 1 1 91 91 SER CB C 91 63.931 63.931 65.407 -1.476 18081 1143 1 2 . 1 1 91 91 SER H H 91 9.710 9.710 8.575 1.135 18081 1144 1 2 . 1 1 92 92 THR N N 92 122.627 122.627 117.119 5.508 18081 1145 1 2 . 1 1 92 92 THR HA H 92 5.682 5.682 5.204 0.478 18081 1146 1 2 . 1 1 92 92 THR C C 92 174.480 174.480 173.575 0.905 18081 1147 1 2 . 1 1 92 92 THR CA C 92 61.856 61.856 62.019 -0.163 18081 1148 1 2 . 1 1 92 92 THR CB C 92 70.160 70.160 70.942 -0.782 18081 1149 1 2 . 1 1 92 92 THR H H 92 8.864 8.864 8.409 0.455 18081 1150 1 2 . 1 1 93 93 VAL N N 93 126.698 126.698 125.515 1.183 18081 1151 1 2 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.485 0.022 18081 1152 1 2 . 1 1 93 93 VAL C C 93 173.002 173.002 174.214 -1.212 18081 1153 1 2 . 1 1 93 93 VAL CA C 93 60.654 60.654 59.937 0.717 18081 1154 1 2 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.142 0.511 18081 1155 1 2 . 1 1 93 93 VAL H H 93 8.806 8.806 8.233 0.573 18081 1156 1 2 . 1 1 94 94 ARG N N 94 126.396 126.396 128.534 -2.138 18081 1157 1 2 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.273 0.617 18081 1158 1 2 . 1 1 94 94 ARG C C 94 175.885 175.885 175.563 0.322 18081 1159 1 2 . 1 1 94 94 ARG CA C 94 54.381 54.381 55.014 -0.633 18081 1160 1 2 . 1 1 94 94 ARG CB C 94 32.588 32.588 29.709 2.879 18081 1161 1 2 . 1 1 94 94 ARG H H 94 8.630 8.630 8.652 -0.022 18081 1162 1 2 . 1 1 95 95 TYR N N 95 126.390 126.390 127.062 -0.672 18081 1163 1 2 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.743 -0.423 18081 1164 1 2 . 1 1 95 95 TYR C C 95 172.683 172.683 173.947 -1.264 18081 1165 1 2 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.876 1.710 18081 1166 1 2 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.447 4.006 18081 1167 1 2 . 1 1 95 95 TYR H H 95 9.623 9.623 8.134 1.489 18081 1168 1 2 . 1 1 96 96 THR N N 96 121.396 121.396 120.032 1.364 18081 1169 1 2 . 1 1 96 96 THR HA H 96 4.684 4.684 4.669 0.015 18081 1170 1 2 . 1 1 96 96 THR C C 96 172.729 172.729 173.532 -0.803 18081 1171 1 2 . 1 1 96 96 THR CA C 96 61.322 61.322 60.682 0.640 18081 1172 1 2 . 1 1 96 96 THR CB C 96 70.160 70.160 70.215 -0.055 18081 1173 1 2 . 1 1 96 96 THR H H 96 6.742 6.742 7.931 -1.189 18081 1174 1 2 . 1 1 97 97 PHE N N 97 126.539 126.539 127.394 -0.855 18081 1175 1 2 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.539 -0.086 18081 1176 1 2 . 1 1 97 97 PHE C C 97 176.075 176.075 175.903 0.172 18081 1177 1 2 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.583 0.624 18081 1178 1 2 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.526 -1.618 18081 1179 1 2 . 1 1 97 97 PHE H H 97 8.933 8.933 8.575 0.358 18081 1180 1 2 . 1 1 98 98 LYS N N 98 123.417 123.417 118.784 4.633 18081 1181 1 2 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.395 -0.002 18081 1182 1 2 . 1 1 98 98 LYS C C 98 175.939 175.939 175.516 0.423 18081 1183 1 2 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.100 0.683 18081 1184 1 2 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.969 -0.986 18081 1185 1 2 . 1 1 98 98 LYS H H 98 8.604 8.604 8.472 0.132 18081 1186 1 2 . 1 1 99 99 ARG N N 99 118.424 118.424 119.695 -1.271 18081 1187 1 2 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.759 0.261 18081 1188 1 2 . 1 1 99 99 ARG C C 99 174.332 174.332 173.435 0.897 18081 1189 1 2 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.675 -1.074 18081 1190 1 2 . 1 1 99 99 ARG CB C 99 31.600 31.600 30.017 1.583 18081 1191 1 2 . 1 1 99 99 ARG H H 99 7.801 7.801 7.922 -0.121 18081 1192 1 2 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.406 -0.023 18081 1193 1 2 . 1 1 100 100 PRO C C 100 175.190 175.190 176.549 -1.359 18081 1194 1 2 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.752 -0.184 18081 1195 1 2 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.185 0.403 18081 1196 1 2 . 1 1 101 101 GLY N N 101 108.626 108.626 108.515 0.111 18081 1197 1 2 . 1 1 101 101 GLY C C 101 171.375 171.375 171.864 -0.489 18081 1198 1 2 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.990 -0.887 18081 1199 1 2 . 1 1 101 101 GLY H H 101 8.685 8.685 7.676 1.008 18081 1200 1 2 . 1 1 102 102 GLU N N 102 119.327 119.327 120.499 -1.172 18081 1201 1 2 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.673 0.478 18081 1202 1 2 . 1 1 102 102 GLU C C 102 176.066 176.066 174.979 1.087 18081 1203 1 2 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.061 0.343 18081 1204 1 2 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.741 -0.537 18081 1205 1 2 . 1 1 102 102 GLU H H 102 8.144 8.144 8.394 -0.250 18081 1206 1 2 . 1 1 103 103 TYR N N 103 125.807 125.807 120.064 5.743 18081 1207 1 2 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.941 -0.295 18081 1208 1 2 . 1 1 103 103 TYR C C 103 174.711 174.711 173.427 1.284 18081 1209 1 2 . 1 1 103 103 TYR CA C 103 56.338 56.338 57.072 -0.733 18081 1210 1 2 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.644 -0.455 18081 1211 1 2 . 1 1 103 103 TYR H H 103 9.687 9.687 8.489 1.198 18081 1212 1 2 . 1 1 104 104 ARG N N 104 124.463 124.463 120.531 3.932 18081 1213 1 2 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.905 -0.278 18081 1214 1 2 . 1 1 104 104 ARG C C 104 174.570 174.570 174.489 0.081 18081 1215 1 2 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.857 1.908 18081 1216 1 2 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.712 -1.014 18081 1217 1 2 . 1 1 104 104 ARG H H 104 8.902 8.902 8.151 0.751 18081 1218 1 2 . 1 1 105 105 ILE N N 105 124.589 124.589 119.642 4.947 18081 1219 1 2 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.915 0.454 18081 1220 1 2 . 1 1 105 105 ILE C C 105 175.576 175.576 174.230 1.346 18081 1221 1 2 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.519 -1.584 18081 1222 1 2 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.394 1.417 18081 1223 1 2 . 1 1 105 105 ILE H H 105 8.289 8.289 8.480 -0.191 18081 1224 1 2 . 1 1 106 106 ILE N N 106 121.777 121.777 122.965 -1.188 18081 1225 1 2 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.506 0.532 18081 1226 1 2 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.625 -1.402 18081 1227 1 2 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.404 3.071 18081 1228 1 2 . 1 1 106 106 ILE H H 106 8.765 8.765 8.741 0.024 18081 1229 1 2 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.293 -0.171 18081 1230 1 2 . 1 1 109 109 GLN C C 109 175.724 175.724 175.367 0.357 18081 1231 1 2 . 1 1 109 109 GLN CA C 109 56.472 56.472 55.157 1.315 18081 1232 1 2 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.468 -1.340 18081 1233 1 2 . 1 1 110 110 TYR N N 110 120.856 120.856 118.968 1.888 18081 1234 1 2 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.178 0.311 18081 1235 1 2 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.201 -1.216 18081 1236 1 2 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.810 -0.883 18081 1237 1 2 . 1 1 110 110 TYR H H 110 8.191 8.191 7.957 0.234 18081 1238 1 2 . 1 1 111 111 CYS N N 111 120.561 120.561 118.226 2.335 18081 1239 1 2 . 1 1 111 111 CYS HA H 111 4.383 4.383 3.832 0.551 18081 1240 1 2 . 1 1 111 111 CYS C C 111 174.692 174.692 173.819 0.873 18081 1241 1 2 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.578 -0.961 18081 1242 1 2 . 1 1 111 111 CYS CB C 111 27.976 27.976 27.047 0.930 18081 1243 1 2 . 1 1 111 111 CYS H H 111 8.166 8.166 7.220 0.946 18081 1244 1 2 . 1 1 112 112 GLY N N 112 111.467 111.467 107.022 4.445 18081 1245 1 2 . 1 1 112 112 GLY C C 112 173.900 173.900 172.975 0.925 18081 1246 1 2 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.073 0.072 18081 1247 1 2 . 1 1 112 112 GLY H H 112 8.239 8.239 7.478 0.761 18081 1248 1 2 . 1 1 113 113 LEU N N 113 122.150 122.150 122.094 0.056 18081 1249 1 2 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.091 0.233 18081 1250 1 2 . 1 1 113 113 LEU C C 113 178.068 178.068 177.628 0.440 18081 1251 1 2 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.792 -0.074 18081 1252 1 2 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.219 0.860 18081 1253 1 2 . 1 1 113 113 LEU H H 113 8.179 8.179 8.546 -0.367 18081 1254 1 2 . 1 1 114 114 GLY N N 114 109.278 109.278 113.541 -4.263 18081 1255 1 2 . 1 1 114 114 GLY C C 114 174.142 174.142 173.338 0.804 18081 1256 1 2 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.055 0.294 18081 1257 1 2 . 1 1 114 114 GLY H H 114 8.393 8.393 8.752 -0.359 18081 1258 1 2 . 1 1 117 117 ASN N N 117 120.387 120.387 118.162 2.225 18081 1259 1 2 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.302 0.376 18081 1260 1 2 . 1 1 117 117 ASN C C 117 174.422 174.422 174.674 -0.252 18081 1261 1 2 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.735 -0.556 18081 1262 1 2 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.526 0.489 18081 1263 1 2 . 1 1 117 117 ASN H H 117 8.522 8.522 8.489 0.033 18081 1264 1 2 . 1 1 118 118 MET N N 118 120.526 120.526 121.960 -1.434 18081 1265 1 2 . 1 1 118 118 MET C C 118 173.321 173.321 175.696 -2.375 18081 1266 1 2 . 1 1 118 118 MET CA C 118 55.360 55.360 56.429 -1.069 18081 1267 1 2 . 1 1 118 118 MET CB C 118 34.467 34.467 33.801 0.666 18081 1268 1 2 . 1 1 118 118 MET H H 118 7.981 7.981 8.079 -0.098 18081 1269 1 2 . 1 1 119 119 PHE N N 119 119.704 119.704 119.017 0.687 18081 1270 1 2 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.641 1.181 18081 1271 1 2 . 1 1 119 119 PHE C C 119 174.894 174.894 176.095 -1.201 18081 1272 1 2 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.715 -0.599 18081 1273 1 2 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.764 2.613 18081 1274 1 2 . 1 1 119 119 PHE H H 119 8.068 8.068 7.849 0.219 18081 1275 1 2 . 1 1 120 120 GLY N N 120 109.869 109.869 109.664 0.205 18081 1276 1 2 . 1 1 120 120 GLY C C 120 172.817 172.817 173.490 -0.673 18081 1277 1 2 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.439 -0.158 18081 1278 1 2 . 1 1 120 120 GLY H H 120 8.984 8.984 8.769 0.215 18081 1279 1 2 . 1 1 121 121 THR N N 121 115.820 115.820 122.567 -6.747 18081 1280 1 2 . 1 1 121 121 THR HA H 121 5.068 5.068 4.188 0.880 18081 1281 1 2 . 1 1 121 121 THR C C 121 173.062 173.062 173.525 -0.463 18081 1282 1 2 . 1 1 121 121 THR CA C 121 62.745 62.745 64.213 -1.468 18081 1283 1 2 . 1 1 121 121 THR CB C 121 72.533 72.533 69.093 3.440 18081 1284 1 2 . 1 1 121 121 THR H H 121 8.123 8.123 8.523 -0.400 18081 1285 1 2 . 1 1 122 122 ILE N N 122 127.420 127.420 128.322 -0.902 18081 1286 1 2 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.185 0.650 18081 1287 1 2 . 1 1 122 122 ILE C C 122 174.260 174.260 172.979 1.281 18081 1288 1 2 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.576 -0.500 18081 1289 1 2 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.302 -1.903 18081 1290 1 2 . 1 1 122 122 ILE H H 122 9.152 9.152 8.325 0.827 18081 1291 1 2 . 1 1 123 123 VAL N N 123 130.032 130.032 125.278 4.754 18081 1292 1 2 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.401 -0.022 18081 1293 1 2 . 1 1 123 123 VAL C C 123 174.012 174.012 173.234 0.778 18081 1294 1 2 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.274 2.537 18081 1295 1 2 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.805 -2.525 18081 1296 1 2 . 1 1 123 123 VAL H H 123 9.601 9.601 7.753 1.848 18081 1297 1 2 . 1 1 124 124 VAL N N 124 128.765 128.765 127.752 1.013 18081 1298 1 2 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.496 0.203 18081 1299 1 2 . 1 1 124 124 VAL C C 124 177.239 177.239 175.258 1.981 18081 1300 1 2 . 1 1 124 124 VAL CA C 124 60.565 60.565 59.468 1.097 18081 1301 1 2 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.766 -1.463 18081 1302 1 2 . 1 1 124 124 VAL H H 124 9.056 9.056 8.557 0.499 18081 1303 1 2 . 1 1 125 125 LYS N N 125 129.953 129.953 127.675 2.278 18081 1304 1 2 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.635 -0.294 18081 1305 1 2 . 1 1 125 125 LYS C C 125 175.317 175.317 175.904 -0.587 18081 1306 1 2 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.620 1.829 18081 1307 1 2 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.633 0.944 18081 1308 1 2 . 1 1 125 125 LYS H H 125 8.854 8.854 8.629 0.225 18081 1309 1 3 . 1 1 2 2 VAL N N 2 126.137 126.137 122.371 3.766 18081 1310 1 3 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.264 -0.238 18081 1311 1 3 . 1 1 2 2 VAL C C 2 176.484 176.484 174.977 1.507 18081 1312 1 3 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.529 0.039 18081 1313 1 3 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.525 0.866 18081 1314 1 3 . 1 1 2 2 VAL H H 2 8.035 8.035 7.957 0.078 18081 1315 1 3 . 1 1 3 3 ILE N N 3 124.059 124.059 122.725 1.334 18081 1316 1 3 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.637 -0.142 18081 1317 1 3 . 1 1 3 3 ILE C C 3 174.606 174.606 174.081 0.525 18081 1318 1 3 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.562 -0.178 18081 1319 1 3 . 1 1 3 3 ILE CB C 3 38.521 38.521 39.188 -0.667 18081 1320 1 3 . 1 1 3 3 ILE H H 3 7.856 7.856 8.112 -0.256 18081 1321 1 3 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.537 -0.164 18081 1322 1 3 . 1 1 4 4 PRO C C 4 176.585 176.585 176.880 -0.295 18081 1323 1 3 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.642 0.548 18081 1324 1 3 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.370 -0.406 18081 1325 1 3 . 1 1 5 5 ALA N N 5 125.371 125.371 121.703 3.668 18081 1326 1 3 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.346 -0.059 18081 1327 1 3 . 1 1 5 5 ALA C C 5 178.454 178.454 177.578 0.876 18081 1328 1 3 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.841 -0.106 18081 1329 1 3 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.254 -0.211 18081 1330 1 3 . 1 1 5 5 ALA H H 5 8.458 8.458 8.409 0.049 18081 1331 1 3 . 1 1 6 6 GLY N N 6 108.626 108.626 107.352 1.274 18081 1332 1 3 . 1 1 6 6 GLY C C 6 173.996 173.996 173.485 0.511 18081 1333 1 3 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.082 0.089 18081 1334 1 3 . 1 1 6 6 GLY H H 6 8.378 8.378 7.704 0.674 18081 1335 1 3 . 1 1 7 7 LYS N N 7 121.320 121.320 121.436 -0.116 18081 1336 1 3 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.045 0.284 18081 1337 1 3 . 1 1 7 7 LYS C C 7 176.362 176.362 176.133 0.229 18081 1338 1 3 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.782 -0.666 18081 1339 1 3 . 1 1 7 7 LYS CB C 7 32.984 32.984 32.990 -0.006 18081 1340 1 3 . 1 1 7 7 LYS H H 7 7.976 7.976 8.400 -0.424 18081 1341 1 3 . 1 1 8 8 LEU N N 8 124.548 124.548 114.380 10.168 18081 1342 1 3 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.103 0.288 18081 1343 1 3 . 1 1 8 8 LEU C C 8 176.772 176.772 175.162 1.610 18081 1344 1 3 . 1 1 8 8 LEU CA C 8 55.182 55.182 56.322 -1.140 18081 1345 1 3 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.148 0.327 18081 1346 1 3 . 1 1 8 8 LEU H H 8 8.283 8.283 8.407 -0.124 18081 1347 1 3 . 1 1 9 9 GLU N N 9 124.888 124.888 119.542 5.346 18081 1348 1 3 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.626 -0.236 18081 1349 1 3 . 1 1 9 9 GLU C C 9 174.919 174.919 175.242 -0.323 18081 1350 1 3 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.730 1.742 18081 1351 1 3 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.271 -1.660 18081 1352 1 3 . 1 1 9 9 GLU H H 9 8.679 8.679 8.638 0.041 18081 1353 1 3 . 1 1 10 10 ARG N N 10 123.557 123.557 123.806 -0.249 18081 1354 1 3 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.370 0.602 18081 1355 1 3 . 1 1 10 10 ARG C C 10 175.727 175.727 176.373 -0.646 18081 1356 1 3 . 1 1 10 10 ARG CA C 10 55.085 55.085 56.151 -1.066 18081 1357 1 3 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.062 1.483 18081 1358 1 3 . 1 1 10 10 ARG H H 10 8.248 8.248 8.637 -0.389 18081 1359 1 3 . 1 1 11 11 VAL N N 11 118.077 118.077 118.715 -0.638 18081 1360 1 3 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.424 -0.044 18081 1361 1 3 . 1 1 11 11 VAL C C 11 173.297 173.297 174.028 -0.731 18081 1362 1 3 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.892 -0.306 18081 1363 1 3 . 1 1 11 11 VAL CB C 11 34.763 34.763 35.085 -0.322 18081 1364 1 3 . 1 1 11 11 VAL H H 11 8.039 8.039 7.986 0.053 18081 1365 1 3 . 1 1 12 12 ASP N N 12 123.786 123.786 115.318 8.468 18081 1366 1 3 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.964 -0.013 18081 1367 1 3 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.093 -0.494 18081 1368 1 3 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.703 -0.315 18081 1369 1 3 . 1 1 12 12 ASP H H 12 8.313 8.313 8.004 0.309 18081 1370 1 3 . 1 1 13 13 PRO C C 13 177.705 177.705 177.457 0.248 18081 1371 1 3 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.141 0.598 18081 1372 1 3 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.943 -0.321 18081 1373 1 3 . 1 1 14 14 THR N N 14 109.188 109.188 115.680 -6.492 18081 1374 1 3 . 1 1 14 14 THR HA H 14 4.252 4.252 4.057 0.195 18081 1375 1 3 . 1 1 14 14 THR C C 14 176.733 176.733 175.748 0.985 18081 1376 1 3 . 1 1 14 14 THR CA C 14 63.996 63.996 65.267 -1.271 18081 1377 1 3 . 1 1 14 14 THR CB C 14 69.270 69.270 68.917 0.353 18081 1378 1 3 . 1 1 14 14 THR H H 14 8.413 8.413 8.091 0.322 18081 1379 1 3 . 1 1 15 15 THR N N 15 108.904 108.904 109.909 -1.005 18081 1380 1 3 . 1 1 15 15 THR HA H 15 4.733 4.733 4.591 0.142 18081 1381 1 3 . 1 1 15 15 THR C C 15 177.174 177.174 174.620 2.554 18081 1382 1 3 . 1 1 15 15 THR CA C 15 61.589 61.589 61.456 0.133 18081 1383 1 3 . 1 1 15 15 THR CB C 15 70.654 70.654 69.819 0.835 18081 1384 1 3 . 1 1 15 15 THR H H 15 7.413 7.413 7.828 -0.415 18081 1385 1 3 . 1 1 16 16 VAL N N 16 122.387 122.387 123.290 -0.903 18081 1386 1 3 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.764 0.434 18081 1387 1 3 . 1 1 16 16 VAL C C 16 175.683 175.683 175.387 0.296 18081 1388 1 3 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.749 -0.297 18081 1389 1 3 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.219 -0.718 18081 1390 1 3 . 1 1 16 16 VAL H H 16 7.143 7.143 7.405 -0.262 18081 1391 1 3 . 1 1 17 17 ARG N N 17 115.917 115.917 115.905 0.012 18081 1392 1 3 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.484 -0.213 18081 1393 1 3 . 1 1 17 17 ARG C C 17 175.861 175.861 178.191 -2.330 18081 1394 1 3 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.736 -0.686 18081 1395 1 3 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.022 0.004 18081 1396 1 3 . 1 1 17 17 ARG H H 17 8.227 8.227 8.350 -0.123 18081 1397 1 3 . 1 1 18 18 GLN N N 18 117.044 117.044 118.654 -1.610 18081 1398 1 3 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.382 0.017 18081 1399 1 3 . 1 1 18 18 GLN C C 18 175.506 175.506 175.575 -0.069 18081 1400 1 3 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.293 -0.154 18081 1401 1 3 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.423 1.386 18081 1402 1 3 . 1 1 18 18 GLN H H 18 7.765 7.765 8.075 -0.310 18081 1403 1 3 . 1 1 19 19 GLU N N 19 118.659 118.659 118.988 -0.329 18081 1404 1 3 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.463 0.096 18081 1405 1 3 . 1 1 19 19 GLU C C 19 175.081 175.081 174.885 0.196 18081 1406 1 3 . 1 1 19 19 GLU CA C 19 55.182 55.182 56.108 -0.926 18081 1407 1 3 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.963 0.428 18081 1408 1 3 . 1 1 19 19 GLU H H 19 8.070 8.070 8.066 0.004 18081 1409 1 3 . 1 1 20 20 GLY N N 20 113.694 113.694 112.607 1.087 18081 1410 1 3 . 1 1 20 20 GLY C C 20 174.150 174.150 172.436 1.714 18081 1411 1 3 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.867 -0.319 18081 1412 1 3 . 1 1 20 20 GLY H H 20 8.933 8.933 8.098 0.835 18081 1413 1 3 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.195 -0.522 18081 1414 1 3 . 1 1 21 21 PRO C C 21 176.703 176.703 176.614 0.089 18081 1415 1 3 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.593 0.288 18081 1416 1 3 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.131 -1.094 18081 1417 1 3 . 1 1 22 22 TRP N N 22 117.898 117.898 118.449 -0.551 18081 1418 1 3 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.602 -0.287 18081 1419 1 3 . 1 1 22 22 TRP C C 22 174.965 174.965 177.097 -2.132 18081 1420 1 3 . 1 1 22 22 TRP CA C 22 60.521 60.521 58.521 2.000 18081 1421 1 3 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.499 0.772 18081 1422 1 3 . 1 1 22 22 TRP H H 22 8.759 8.759 8.016 0.743 18081 1423 1 3 . 1 1 23 23 ALA N N 23 120.887 120.887 121.811 -0.924 18081 1424 1 3 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.428 -0.504 18081 1425 1 3 . 1 1 23 23 ALA C C 23 177.520 177.520 177.935 -0.415 18081 1426 1 3 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.405 1.376 18081 1427 1 3 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.352 -0.804 18081 1428 1 3 . 1 1 23 23 ALA H H 23 7.232 7.232 7.698 -0.466 18081 1429 1 3 . 1 1 24 24 ASP N N 24 115.176 115.176 117.459 -2.283 18081 1430 1 3 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.122 0.064 18081 1431 1 3 . 1 1 24 24 ASP C C 24 176.860 176.860 175.665 1.195 18081 1432 1 3 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.273 -1.653 18081 1433 1 3 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.803 -1.316 18081 1434 1 3 . 1 1 24 24 ASP H H 24 7.718 7.718 7.510 0.208 18081 1435 1 3 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.391 -0.092 18081 1436 1 3 . 1 1 25 25 PRO C C 25 177.445 177.445 177.503 -0.058 18081 1437 1 3 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.528 -0.047 18081 1438 1 3 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.199 -0.303 18081 1439 1 3 . 1 1 26 26 ALA N N 26 120.150 120.150 119.698 0.452 18081 1440 1 3 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.256 0.049 18081 1441 1 3 . 1 1 26 26 ALA C C 26 179.061 179.061 178.140 0.921 18081 1442 1 3 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.381 0.466 18081 1443 1 3 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.169 0.083 18081 1444 1 3 . 1 1 26 26 ALA H H 26 8.158 8.158 8.164 -0.006 18081 1445 1 3 . 1 1 27 27 GLN N N 27 117.617 117.617 116.666 0.951 18081 1446 1 3 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.424 0.271 18081 1447 1 3 . 1 1 27 27 GLN C C 27 175.309 175.309 176.170 -0.861 18081 1448 1 3 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.666 -0.408 18081 1449 1 3 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.548 0.184 18081 1450 1 3 . 1 1 27 27 GLN H H 27 7.732 7.732 7.449 0.283 18081 1451 1 3 . 1 1 28 28 ALA N N 28 122.069 122.069 124.137 -2.068 18081 1452 1 3 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.338 0.043 18081 1453 1 3 . 1 1 28 28 ALA C C 28 176.358 176.358 177.431 -1.073 18081 1454 1 3 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.451 1.131 18081 1455 1 3 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.089 1.832 18081 1456 1 3 . 1 1 28 28 ALA H H 28 6.996 6.996 7.576 -0.580 18081 1457 1 3 . 1 1 29 29 VAL N N 29 114.478 114.478 118.702 -4.224 18081 1458 1 3 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.240 0.467 18081 1459 1 3 . 1 1 29 29 VAL C C 29 176.252 176.252 175.340 0.912 18081 1460 1 3 . 1 1 29 29 VAL CA C 29 61.989 61.989 61.634 0.355 18081 1461 1 3 . 1 1 29 29 VAL CB C 29 31.600 31.600 31.863 -0.263 18081 1462 1 3 . 1 1 29 29 VAL H H 29 7.868 7.868 7.919 -0.051 18081 1463 1 3 . 1 1 30 30 VAL N N 30 129.718 129.718 123.201 6.517 18081 1464 1 3 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.622 -0.235 18081 1465 1 3 . 1 1 30 30 VAL C C 30 175.107 175.107 174.897 0.210 18081 1466 1 3 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.118 0.625 18081 1467 1 3 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.441 -0.183 18081 1468 1 3 . 1 1 30 30 VAL H H 30 9.556 9.556 8.614 0.942 18081 1469 1 3 . 1 1 31 31 GLN N N 31 129.372 129.372 127.585 1.787 18081 1470 1 3 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.241 -0.100 18081 1471 1 3 . 1 1 31 31 GLN C C 31 176.413 176.413 175.592 0.821 18081 1472 1 3 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.928 0.122 18081 1473 1 3 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.021 -0.970 18081 1474 1 3 . 1 1 31 31 GLN H H 31 9.153 9.153 8.831 0.322 18081 1475 1 3 . 1 1 32 32 THR N N 32 119.775 119.775 120.572 -0.797 18081 1476 1 3 . 1 1 32 32 THR HA H 32 4.392 4.392 4.534 -0.142 18081 1477 1 3 . 1 1 32 32 THR C C 32 174.102 174.102 174.533 -0.431 18081 1478 1 3 . 1 1 32 32 THR CA C 32 61.678 61.678 61.654 0.024 18081 1479 1 3 . 1 1 32 32 THR CB C 32 68.775 68.775 70.107 -1.332 18081 1480 1 3 . 1 1 32 32 THR H H 32 8.266 8.266 8.141 0.125 18081 1481 1 3 . 1 1 33 33 GLY N N 33 111.761 111.761 110.393 1.368 18081 1482 1 3 . 1 1 33 33 GLY C C 33 170.586 170.586 172.648 -2.062 18081 1483 1 3 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.189 1.893 18081 1484 1 3 . 1 1 33 33 GLY H H 33 7.997 7.997 7.469 0.528 18081 1485 1 3 . 1 1 34 34 PRO C C 34 176.674 176.674 176.359 0.315 18081 1486 1 3 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.467 0.414 18081 1487 1 3 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.392 -1.030 18081 1488 1 3 . 1 1 35 35 ASN N N 35 117.681 117.681 113.609 4.072 18081 1489 1 3 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.701 0.153 18081 1490 1 3 . 1 1 35 35 ASN C C 35 173.262 173.262 172.911 0.351 18081 1491 1 3 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.542 -0.419 18081 1492 1 3 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.115 0.641 18081 1493 1 3 . 1 1 35 35 ASN H H 35 8.649 8.649 8.427 0.222 18081 1494 1 3 . 1 1 36 36 GLN N N 36 119.276 119.276 116.996 2.280 18081 1495 1 3 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.953 0.614 18081 1496 1 3 . 1 1 36 36 GLN C C 36 173.292 173.292 173.784 -0.492 18081 1497 1 3 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.354 0.249 18081 1498 1 3 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.627 3.247 18081 1499 1 3 . 1 1 36 36 GLN H H 36 6.953 6.953 7.467 -0.514 18081 1500 1 3 . 1 1 37 37 TYR N N 37 125.339 125.339 124.191 1.148 18081 1501 1 3 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.812 0.252 18081 1502 1 3 . 1 1 37 37 TYR C C 37 174.321 174.321 175.734 -1.413 18081 1503 1 3 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.391 0.082 18081 1504 1 3 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.942 0.754 18081 1505 1 3 . 1 1 37 37 TYR H H 37 8.898 8.898 8.445 0.453 18081 1506 1 3 . 1 1 38 38 THR N N 38 121.935 121.935 120.868 1.067 18081 1507 1 3 . 1 1 38 38 THR HA H 38 5.098 5.098 4.441 0.657 18081 1508 1 3 . 1 1 38 38 THR C C 38 172.253 172.253 173.832 -1.579 18081 1509 1 3 . 1 1 38 38 THR CA C 38 61.589 61.589 62.365 -0.776 18081 1510 1 3 . 1 1 38 38 THR CB C 38 69.764 69.764 68.356 1.408 18081 1511 1 3 . 1 1 38 38 THR H H 38 9.592 9.592 9.029 0.563 18081 1512 1 3 . 1 1 39 39 VAL N N 39 126.189 126.189 128.155 -1.966 18081 1513 1 3 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.094 1.007 18081 1514 1 3 . 1 1 39 39 VAL C C 39 174.612 174.612 174.232 0.380 18081 1515 1 3 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.639 -2.008 18081 1516 1 3 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.884 1.187 18081 1517 1 3 . 1 1 39 39 VAL H H 39 8.710 8.710 7.650 1.060 18081 1518 1 3 . 1 1 40 40 TYR N N 40 130.243 130.243 124.659 5.584 18081 1519 1 3 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.900 -0.259 18081 1520 1 3 . 1 1 40 40 TYR C C 40 174.840 174.840 175.877 -1.037 18081 1521 1 3 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.571 2.081 18081 1522 1 3 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.356 -2.516 18081 1523 1 3 . 1 1 40 40 TYR H H 40 9.139 9.139 8.228 0.911 18081 1524 1 3 . 1 1 41 41 VAL N N 41 124.415 124.415 124.825 -0.410 18081 1525 1 3 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.521 0.819 18081 1526 1 3 . 1 1 41 41 VAL C C 41 175.680 175.680 174.243 1.437 18081 1527 1 3 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.838 -1.584 18081 1528 1 3 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.202 0.660 18081 1529 1 3 . 1 1 41 41 VAL H H 41 8.686 8.686 9.242 -0.556 18081 1530 1 3 . 1 1 42 42 LEU N N 42 129.148 129.148 129.797 -0.649 18081 1531 1 3 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.810 0.336 18081 1532 1 3 . 1 1 42 42 LEU C C 42 175.161 175.161 174.972 0.189 18081 1533 1 3 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.649 -0.870 18081 1534 1 3 . 1 1 42 42 LEU CB C 42 45.639 45.639 43.670 1.969 18081 1535 1 3 . 1 1 42 42 LEU H H 42 9.694 9.694 8.665 1.029 18081 1536 1 3 . 1 1 43 43 ALA N N 43 130.434 130.434 130.038 0.396 18081 1537 1 3 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.242 0.480 18081 1538 1 3 . 1 1 43 43 ALA C C 43 173.292 173.292 175.099 -1.807 18081 1539 1 3 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.243 -1.089 18081 1540 1 3 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.930 -1.800 18081 1541 1 3 . 1 1 43 43 ALA H H 43 8.679 8.679 8.062 0.617 18081 1542 1 3 . 1 1 44 44 PHE N N 44 118.472 118.472 117.701 0.771 18081 1543 1 3 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.773 0.436 18081 1544 1 3 . 1 1 44 44 PHE C C 44 172.698 172.698 174.088 -1.390 18081 1545 1 3 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.904 -1.779 18081 1546 1 3 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.600 2.072 18081 1547 1 3 . 1 1 44 44 PHE H H 44 7.756 7.756 7.273 0.483 18081 1548 1 3 . 1 1 45 45 ALA N N 45 122.901 122.901 122.067 0.834 18081 1549 1 3 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.325 -0.912 18081 1550 1 3 . 1 1 45 45 ALA C C 45 177.267 177.267 176.780 0.487 18081 1551 1 3 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.458 -6.175 18081 1552 1 3 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.951 -3.171 18081 1553 1 3 . 1 1 45 45 ALA H H 45 9.739 9.739 8.659 1.080 18081 1554 1 3 . 1 1 46 46 PHE N N 46 128.515 128.515 120.491 8.024 18081 1555 1 3 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.678 0.542 18081 1556 1 3 . 1 1 46 46 PHE C C 46 173.387 173.387 175.406 -2.019 18081 1557 1 3 . 1 1 46 46 PHE CA C 46 60.031 60.031 57.089 2.942 18081 1558 1 3 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.129 2.270 18081 1559 1 3 . 1 1 46 46 PHE H H 46 7.994 7.994 8.471 -0.477 18081 1560 1 3 . 1 1 47 47 GLY N N 47 113.741 113.741 109.508 4.233 18081 1561 1 3 . 1 1 47 47 GLY C C 47 167.774 167.774 172.500 -4.726 18081 1562 1 3 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.701 0.534 18081 1563 1 3 . 1 1 47 47 GLY H H 47 7.796 7.796 7.909 -0.113 18081 1564 1 3 . 1 1 48 48 TYR N N 48 119.637 119.637 120.499 -0.862 18081 1565 1 3 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.870 0.468 18081 1566 1 3 . 1 1 48 48 TYR C C 48 175.042 175.042 174.988 0.054 18081 1567 1 3 . 1 1 48 48 TYR CA C 48 56.294 56.294 58.210 -1.916 18081 1568 1 3 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.671 1.291 18081 1569 1 3 . 1 1 48 48 TYR H H 48 8.370 8.370 8.664 -0.294 18081 1570 1 3 . 1 1 49 49 GLN N N 49 121.776 121.776 124.396 -2.620 18081 1571 1 3 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.898 -0.081 18081 1572 1 3 . 1 1 49 49 GLN CA C 49 52.334 52.334 52.554 -0.220 18081 1573 1 3 . 1 1 49 49 GLN CB C 49 33.874 33.874 28.911 4.963 18081 1574 1 3 . 1 1 49 49 GLN H H 49 9.163 9.163 8.138 1.025 18081 1575 1 3 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.422 0.320 18081 1576 1 3 . 1 1 50 50 PRO C C 50 174.271 174.271 176.200 -1.929 18081 1577 1 3 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.597 0.193 18081 1578 1 3 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.418 2.247 18081 1579 1 3 . 1 1 51 51 ASN N N 51 113.755 113.755 115.907 -2.152 18081 1580 1 3 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.971 0.109 18081 1581 1 3 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.829 -0.830 18081 1582 1 3 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.510 2.186 18081 1583 1 3 . 1 1 51 51 ASN H H 51 8.229 8.229 8.439 -0.210 18081 1584 1 3 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.464 0.807 18081 1585 1 3 . 1 1 52 52 PRO C C 52 176.525 176.525 175.820 0.705 18081 1586 1 3 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.893 0.698 18081 1587 1 3 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.202 4.705 18081 1588 1 3 . 1 1 53 53 ILE N N 53 120.452 120.452 125.521 -5.069 18081 1589 1 3 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.223 -0.157 18081 1590 1 3 . 1 1 53 53 ILE C C 53 174.236 174.236 174.427 -0.191 18081 1591 1 3 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.272 1.228 18081 1592 1 3 . 1 1 53 53 ILE CB C 53 39.905 39.905 38.690 1.215 18081 1593 1 3 . 1 1 53 53 ILE H H 53 8.321 8.321 8.222 0.099 18081 1594 1 3 . 1 1 54 54 GLU N N 54 129.279 129.279 128.113 1.166 18081 1595 1 3 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.375 1.092 18081 1596 1 3 . 1 1 54 54 GLU C C 54 175.598 175.598 175.506 0.092 18081 1597 1 3 . 1 1 54 54 GLU CA C 54 55.004 55.004 56.422 -1.418 18081 1598 1 3 . 1 1 54 54 GLU CB C 54 30.907 30.907 30.642 0.265 18081 1599 1 3 . 1 1 54 54 GLU H H 54 8.458 8.458 8.460 -0.002 18081 1600 1 3 . 1 1 55 55 VAL N N 55 115.767 115.767 125.456 -9.689 18081 1601 1 3 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.471 0.185 18081 1602 1 3 . 1 1 55 55 VAL C C 55 172.453 172.453 173.739 -1.286 18081 1603 1 3 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.007 -2.268 18081 1604 1 3 . 1 1 55 55 VAL CB C 55 33.972 33.972 32.969 1.003 18081 1605 1 3 . 1 1 55 55 VAL H H 55 8.492 8.492 8.232 0.260 18081 1606 1 3 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.718 -0.051 18081 1607 1 3 . 1 1 56 56 PRO C C 56 177.445 177.445 177.280 0.165 18081 1608 1 3 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.190 -0.511 18081 1609 1 3 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.431 0.564 18081 1610 1 3 . 1 1 57 57 GLN N N 57 122.020 122.020 124.496 -2.476 18081 1611 1 3 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.089 -0.199 18081 1612 1 3 . 1 1 57 57 GLN C C 57 176.735 176.735 176.861 -0.126 18081 1613 1 3 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.142 0.730 18081 1614 1 3 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.730 -0.888 18081 1615 1 3 . 1 1 57 57 GLN H H 57 8.466 8.466 8.091 0.375 18081 1616 1 3 . 1 1 58 58 GLY N N 58 112.805 112.805 109.718 3.087 18081 1617 1 3 . 1 1 58 58 GLY C C 58 172.686 172.686 173.135 -0.449 18081 1618 1 3 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.127 1.245 18081 1619 1 3 . 1 1 58 58 GLY H H 58 8.713 8.713 8.727 -0.014 18081 1620 1 3 . 1 1 59 59 ALA N N 59 122.839 122.839 122.517 0.322 18081 1621 1 3 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.551 0.000 18081 1622 1 3 . 1 1 59 59 ALA C C 59 176.659 176.659 175.527 1.132 18081 1623 1 3 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.860 -0.128 18081 1624 1 3 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.898 -1.175 18081 1625 1 3 . 1 1 59 59 ALA H H 59 6.982 6.982 7.298 -0.316 18081 1626 1 3 . 1 1 60 60 GLU N N 60 123.390 123.390 119.598 3.792 18081 1627 1 3 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.251 0.056 18081 1628 1 3 . 1 1 60 60 GLU C C 60 173.876 173.876 175.419 -1.543 18081 1629 1 3 . 1 1 60 60 GLU CA C 60 56.828 56.828 57.043 -0.215 18081 1630 1 3 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.686 -0.372 18081 1631 1 3 . 1 1 60 60 GLU H H 60 8.260 8.260 8.196 0.064 18081 1632 1 3 . 1 1 61 61 ILE N N 61 130.883 130.883 121.846 9.037 18081 1633 1 3 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.336 0.486 18081 1634 1 3 . 1 1 61 61 ILE C C 61 175.267 175.267 175.298 -0.031 18081 1635 1 3 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.544 -1.121 18081 1636 1 3 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.868 -3.116 18081 1637 1 3 . 1 1 61 61 ILE H H 61 9.103 9.103 8.283 0.820 18081 1638 1 3 . 1 1 62 62 VAL N N 62 127.879 127.879 123.862 4.017 18081 1639 1 3 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.037 -0.689 18081 1640 1 3 . 1 1 62 62 VAL C C 62 175.598 175.598 175.626 -0.028 18081 1641 1 3 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.317 0.426 18081 1642 1 3 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.255 -0.051 18081 1643 1 3 . 1 1 62 62 VAL H H 62 8.992 8.992 7.984 1.008 18081 1644 1 3 . 1 1 63 63 PHE N N 63 125.354 125.354 128.806 -3.452 18081 1645 1 3 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.471 0.522 18081 1646 1 3 . 1 1 63 63 PHE C C 63 175.507 175.507 175.676 -0.169 18081 1647 1 3 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.287 -1.480 18081 1648 1 3 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.061 -0.453 18081 1649 1 3 . 1 1 63 63 PHE H H 63 9.521 9.521 8.380 1.141 18081 1650 1 3 . 1 1 64 64 LYS N N 64 123.471 123.471 122.132 1.339 18081 1651 1 3 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.501 -0.408 18081 1652 1 3 . 1 1 64 64 LYS C C 64 175.877 175.877 175.865 0.012 18081 1653 1 3 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.361 -0.980 18081 1654 1 3 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.303 -1.234 18081 1655 1 3 . 1 1 64 64 LYS H H 64 8.977 8.977 8.413 0.564 18081 1656 1 3 . 1 1 65 65 ILE N N 65 125.792 125.792 125.442 0.350 18081 1657 1 3 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.156 0.647 18081 1658 1 3 . 1 1 65 65 ILE C C 65 175.724 175.724 175.140 0.584 18081 1659 1 3 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.046 -0.282 18081 1660 1 3 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.890 0.498 18081 1661 1 3 . 1 1 65 65 ILE H H 65 9.390 9.390 8.189 1.201 18081 1662 1 3 . 1 1 66 66 THR N N 66 119.455 119.455 116.828 2.627 18081 1663 1 3 . 1 1 66 66 THR HA H 66 4.583 4.583 4.379 0.204 18081 1664 1 3 . 1 1 66 66 THR C C 66 170.978 170.978 172.258 -1.280 18081 1665 1 3 . 1 1 66 66 THR CA C 66 61.233 61.233 61.114 0.119 18081 1666 1 3 . 1 1 66 66 THR CB C 66 70.456 70.456 69.215 1.241 18081 1667 1 3 . 1 1 66 66 THR H H 66 8.176 8.176 7.830 0.346 18081 1668 1 3 . 1 1 67 67 SER N N 67 115.523 115.523 121.010 -5.487 18081 1669 1 3 . 1 1 67 67 SER HA H 67 6.316 6.316 5.141 1.175 18081 1670 1 3 . 1 1 67 67 SER C C 67 174.516 174.516 172.658 1.858 18081 1671 1 3 . 1 1 67 67 SER CA C 67 51.222 51.222 55.782 -4.560 18081 1672 1 3 . 1 1 67 67 SER CB C 67 66.501 66.501 66.186 0.315 18081 1673 1 3 . 1 1 67 67 SER H H 67 7.190 7.190 8.454 -1.264 18081 1674 1 3 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.352 0.476 18081 1675 1 3 . 1 1 68 68 PRO C C 68 174.360 174.360 175.693 -1.333 18081 1676 1 3 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.844 -2.276 18081 1677 1 3 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.029 0.460 18081 1678 1 3 . 1 1 69 69 ASP N N 69 120.505 120.505 117.415 3.090 18081 1679 1 3 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.883 -0.135 18081 1680 1 3 . 1 1 69 69 ASP C C 69 173.775 173.775 174.276 -0.501 18081 1681 1 3 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.237 1.212 18081 1682 1 3 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.040 -0.059 18081 1683 1 3 . 1 1 69 69 ASP H H 69 8.594 8.594 8.210 0.384 18081 1684 1 3 . 1 1 70 70 VAL N N 70 120.074 120.074 116.802 3.272 18081 1685 1 3 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.388 0.186 18081 1686 1 3 . 1 1 70 70 VAL C C 70 174.866 174.866 174.467 0.399 18081 1687 1 3 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.937 -1.706 18081 1688 1 3 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.266 -0.205 18081 1689 1 3 . 1 1 70 70 VAL H H 70 10.855 10.855 7.859 2.996 18081 1690 1 3 . 1 1 71 71 ILE N N 71 121.272 121.272 124.570 -3.298 18081 1691 1 3 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.035 0.403 18081 1692 1 3 . 1 1 71 71 ILE CA C 71 62.434 62.434 61.046 1.388 18081 1693 1 3 . 1 1 71 71 ILE CB C 71 38.521 38.521 36.478 2.043 18081 1694 1 3 . 1 1 71 71 ILE H H 71 7.670 7.670 8.374 -0.704 18081 1695 1 3 . 1 1 73 73 GLY C C 73 172.580 172.580 171.847 0.733 18081 1696 1 3 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.483 -0.069 18081 1697 1 3 . 1 1 74 74 PHE N N 74 123.714 123.714 115.239 8.475 18081 1698 1 3 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.043 -0.758 18081 1699 1 3 . 1 1 74 74 PHE C C 74 171.502 171.502 173.192 -1.690 18081 1700 1 3 . 1 1 74 74 PHE CA C 74 58.697 58.697 56.231 2.466 18081 1701 1 3 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.373 -0.578 18081 1702 1 3 . 1 1 74 74 PHE H H 74 8.712 8.712 7.631 1.081 18081 1703 1 3 . 1 1 75 75 HIS N N 75 124.835 124.835 122.332 2.503 18081 1704 1 3 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.804 0.654 18081 1705 1 3 . 1 1 75 75 HIS C C 75 172.817 172.817 173.767 -0.950 18081 1706 1 3 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.006 -2.583 18081 1707 1 3 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.256 -1.732 18081 1708 1 3 . 1 1 75 75 HIS H H 75 7.786 7.786 8.753 -0.967 18081 1709 1 3 . 1 1 76 76 VAL N N 76 124.569 124.569 126.199 -1.630 18081 1710 1 3 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.950 0.343 18081 1711 1 3 . 1 1 76 76 VAL C C 76 175.843 175.843 175.055 0.788 18081 1712 1 3 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.500 1.199 18081 1713 1 3 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.321 -3.953 18081 1714 1 3 . 1 1 76 76 VAL H H 76 6.558 6.558 8.039 -1.481 18081 1715 1 3 . 1 1 77 77 GLU N N 77 132.091 132.091 127.998 4.093 18081 1716 1 3 . 1 1 77 77 GLU HA H 77 3.889 3.889 3.950 -0.061 18081 1717 1 3 . 1 1 77 77 GLU C C 77 176.941 176.941 177.489 -0.548 18081 1718 1 3 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.194 1.503 18081 1719 1 3 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.564 0.651 18081 1720 1 3 . 1 1 77 77 GLU H H 77 8.977 8.977 8.240 0.737 18081 1721 1 3 . 1 1 78 78 GLY N N 78 111.143 111.143 107.953 3.190 18081 1722 1 3 . 1 1 78 78 GLY C C 78 174.152 174.152 174.115 0.037 18081 1723 1 3 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.904 -0.644 18081 1724 1 3 . 1 1 78 78 GLY H H 78 8.052 8.052 8.863 -0.811 18081 1725 1 3 . 1 1 79 79 THR N N 79 109.705 109.705 116.048 -6.343 18081 1726 1 3 . 1 1 79 79 THR HA H 79 4.949 4.949 4.498 0.451 18081 1727 1 3 . 1 1 79 79 THR C C 79 173.397 173.397 173.546 -0.149 18081 1728 1 3 . 1 1 79 79 THR CA C 79 60.076 60.076 60.391 -0.314 18081 1729 1 3 . 1 1 79 79 THR CB C 79 72.829 72.829 71.123 1.706 18081 1730 1 3 . 1 1 79 79 THR H H 79 7.810 7.810 7.481 0.329 18081 1731 1 3 . 1 1 80 80 ASN N N 80 116.427 116.427 120.581 -4.154 18081 1732 1 3 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.874 0.046 18081 1733 1 3 . 1 1 80 80 ASN C C 80 175.665 175.665 174.274 1.391 18081 1734 1 3 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.836 -0.813 18081 1735 1 3 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.705 -0.173 18081 1736 1 3 . 1 1 80 80 ASN H H 80 7.856 7.856 8.733 -0.877 18081 1737 1 3 . 1 1 81 81 ILE N N 81 121.552 121.552 122.293 -0.741 18081 1738 1 3 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.926 -0.129 18081 1739 1 3 . 1 1 81 81 ILE C C 81 176.564 176.564 174.204 2.360 18081 1740 1 3 . 1 1 81 81 ILE CA C 81 62.523 62.523 62.212 0.311 18081 1741 1 3 . 1 1 81 81 ILE CB C 81 38.101 38.101 37.980 0.122 18081 1742 1 3 . 1 1 81 81 ILE H H 81 8.493 8.493 7.239 1.254 18081 1743 1 3 . 1 1 82 82 ASN N N 82 131.507 131.507 127.309 4.198 18081 1744 1 3 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.935 0.216 18081 1745 1 3 . 1 1 82 82 ASN C C 82 173.025 173.025 174.123 -1.098 18081 1746 1 3 . 1 1 82 82 ASN CA C 82 54.267 54.267 52.291 1.976 18081 1747 1 3 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.703 0.103 18081 1748 1 3 . 1 1 82 82 ASN H H 82 8.911 8.911 8.575 0.336 18081 1749 1 3 . 1 1 83 83 VAL N N 83 120.866 120.866 119.715 1.151 18081 1750 1 3 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.440 0.225 18081 1751 1 3 . 1 1 83 83 VAL C C 83 173.954 173.954 173.741 0.213 18081 1752 1 3 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.526 -1.406 18081 1753 1 3 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.369 2.284 18081 1754 1 3 . 1 1 83 83 VAL H H 83 8.356 8.356 8.080 0.276 18081 1755 1 3 . 1 1 84 84 GLU N N 84 125.997 125.997 126.357 -0.360 18081 1756 1 3 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.553 0.034 18081 1757 1 3 . 1 1 84 84 GLU C C 84 174.600 174.600 175.358 -0.758 18081 1758 1 3 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.911 0.116 18081 1759 1 3 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.984 -1.175 18081 1760 1 3 . 1 1 84 84 GLU H H 84 8.534 8.534 8.381 0.153 18081 1761 1 3 . 1 1 85 85 VAL N N 85 125.888 125.888 120.443 5.445 18081 1762 1 3 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.499 -0.450 18081 1763 1 3 . 1 1 85 85 VAL C C 85 173.256 173.256 173.692 -0.436 18081 1764 1 3 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.514 1.003 18081 1765 1 3 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.095 -1.309 18081 1766 1 3 . 1 1 85 85 VAL H H 85 8.782 8.782 8.104 0.678 18081 1767 1 3 . 1 1 86 86 LEU N N 86 128.745 128.745 123.889 4.856 18081 1768 1 3 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.440 0.361 18081 1769 1 3 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.858 -1.923 18081 1770 1 3 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.819 0.591 18081 1771 1 3 . 1 1 86 86 LEU H H 86 9.131 9.131 8.667 0.464 18081 1772 1 3 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.451 0.213 18081 1773 1 3 . 1 1 87 87 PRO C C 87 178.454 178.454 177.427 1.027 18081 1774 1 3 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.066 -0.454 18081 1775 1 3 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.294 -1.089 18081 1776 1 3 . 1 1 88 88 GLY N N 88 112.804 112.804 108.667 4.137 18081 1777 1 3 . 1 1 88 88 GLY C C 88 173.451 173.451 173.364 0.087 18081 1778 1 3 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.138 -0.056 18081 1779 1 3 . 1 1 88 88 GLY H H 88 9.103 9.103 8.581 0.522 18081 1780 1 3 . 1 1 89 89 GLU N N 89 118.355 118.355 118.273 0.082 18081 1781 1 3 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.556 0.544 18081 1782 1 3 . 1 1 89 89 GLU C C 89 176.719 176.719 174.518 2.201 18081 1783 1 3 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.688 -0.441 18081 1784 1 3 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.637 -0.774 18081 1785 1 3 . 1 1 89 89 GLU H H 89 7.764 7.764 7.716 0.048 18081 1786 1 3 . 1 1 90 90 VAL N N 90 127.142 127.142 123.954 3.188 18081 1787 1 3 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.715 -0.215 18081 1788 1 3 . 1 1 90 90 VAL C C 90 176.838 176.838 176.148 0.690 18081 1789 1 3 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.008 0.848 18081 1790 1 3 . 1 1 90 90 VAL CB C 90 33.138 33.138 31.322 1.816 18081 1791 1 3 . 1 1 90 90 VAL H H 90 8.830 8.830 8.132 0.698 18081 1792 1 3 . 1 1 91 91 SER N N 91 127.859 127.859 124.825 3.034 18081 1793 1 3 . 1 1 91 91 SER HA H 91 4.924 4.924 4.762 0.162 18081 1794 1 3 . 1 1 91 91 SER C C 91 173.015 173.015 173.334 -0.319 18081 1795 1 3 . 1 1 91 91 SER CA C 91 58.118 58.118 57.884 0.234 18081 1796 1 3 . 1 1 91 91 SER CB C 91 63.931 63.931 65.337 -1.406 18081 1797 1 3 . 1 1 91 91 SER H H 91 9.710 9.710 8.176 1.534 18081 1798 1 3 . 1 1 92 92 THR N N 92 122.627 122.627 123.302 -0.675 18081 1799 1 3 . 1 1 92 92 THR HA H 92 5.682 5.682 5.336 0.346 18081 1800 1 3 . 1 1 92 92 THR C C 92 174.480 174.480 174.315 0.165 18081 1801 1 3 . 1 1 92 92 THR CA C 92 61.856 61.856 61.732 0.124 18081 1802 1 3 . 1 1 92 92 THR CB C 92 70.160 70.160 69.808 0.352 18081 1803 1 3 . 1 1 92 92 THR H H 92 8.864 8.864 8.505 0.359 18081 1804 1 3 . 1 1 93 93 VAL N N 93 126.698 126.698 127.794 -1.096 18081 1805 1 3 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.327 0.180 18081 1806 1 3 . 1 1 93 93 VAL C C 93 173.002 173.002 174.959 -1.957 18081 1807 1 3 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.795 -1.141 18081 1808 1 3 . 1 1 93 93 VAL CB C 93 35.653 35.653 34.074 1.579 18081 1809 1 3 . 1 1 93 93 VAL H H 93 8.806 8.806 8.542 0.264 18081 1810 1 3 . 1 1 94 94 ARG N N 94 126.396 126.396 124.799 1.597 18081 1811 1 3 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.435 0.455 18081 1812 1 3 . 1 1 94 94 ARG C C 94 175.885 175.885 175.412 0.473 18081 1813 1 3 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.716 -0.335 18081 1814 1 3 . 1 1 94 94 ARG CB C 94 32.588 32.588 31.356 1.232 18081 1815 1 3 . 1 1 94 94 ARG H H 94 8.630 8.630 8.625 0.005 18081 1816 1 3 . 1 1 95 95 TYR N N 95 126.390 126.390 125.880 0.510 18081 1817 1 3 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.648 -0.328 18081 1818 1 3 . 1 1 95 95 TYR C C 95 172.683 172.683 173.898 -1.215 18081 1819 1 3 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.139 1.448 18081 1820 1 3 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.789 2.664 18081 1821 1 3 . 1 1 95 95 TYR H H 95 9.623 9.623 8.250 1.373 18081 1822 1 3 . 1 1 96 96 THR N N 96 121.396 121.396 122.009 -0.613 18081 1823 1 3 . 1 1 96 96 THR HA H 96 4.684 4.684 4.560 0.124 18081 1824 1 3 . 1 1 96 96 THR C C 96 172.729 172.729 172.882 -0.153 18081 1825 1 3 . 1 1 96 96 THR CA C 96 61.322 61.322 60.563 0.759 18081 1826 1 3 . 1 1 96 96 THR CB C 96 70.160 70.160 69.647 0.513 18081 1827 1 3 . 1 1 96 96 THR H H 96 6.742 6.742 7.953 -1.211 18081 1828 1 3 . 1 1 97 97 PHE N N 97 126.539 126.539 128.068 -1.529 18081 1829 1 3 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.564 -0.111 18081 1830 1 3 . 1 1 97 97 PHE C C 97 176.075 176.075 175.923 0.152 18081 1831 1 3 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.019 1.188 18081 1832 1 3 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.666 -1.758 18081 1833 1 3 . 1 1 97 97 PHE H H 97 8.933 8.933 8.513 0.420 18081 1834 1 3 . 1 1 98 98 LYS N N 98 123.417 123.417 119.230 4.187 18081 1835 1 3 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.389 0.004 18081 1836 1 3 . 1 1 98 98 LYS C C 98 175.939 175.939 176.034 -0.095 18081 1837 1 3 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.677 0.106 18081 1838 1 3 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.742 -0.758 18081 1839 1 3 . 1 1 98 98 LYS H H 98 8.604 8.604 8.944 -0.340 18081 1840 1 3 . 1 1 99 99 ARG N N 99 118.424 118.424 119.012 -0.588 18081 1841 1 3 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.619 0.401 18081 1842 1 3 . 1 1 99 99 ARG C C 99 174.332 174.332 173.459 0.873 18081 1843 1 3 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.314 -0.713 18081 1844 1 3 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.359 0.241 18081 1845 1 3 . 1 1 99 99 ARG H H 99 7.801 7.801 7.583 0.218 18081 1846 1 3 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.366 0.017 18081 1847 1 3 . 1 1 100 100 PRO C C 100 175.190 175.190 176.572 -1.382 18081 1848 1 3 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.521 0.047 18081 1849 1 3 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.297 0.291 18081 1850 1 3 . 1 1 101 101 GLY N N 101 108.626 108.626 108.007 0.619 18081 1851 1 3 . 1 1 101 101 GLY C C 101 171.375 171.375 172.188 -0.813 18081 1852 1 3 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.867 -0.764 18081 1853 1 3 . 1 1 101 101 GLY H H 101 8.685 8.685 7.667 1.018 18081 1854 1 3 . 1 1 102 102 GLU N N 102 119.327 119.327 123.015 -3.688 18081 1855 1 3 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.705 0.446 18081 1856 1 3 . 1 1 102 102 GLU C C 102 176.066 176.066 175.293 0.773 18081 1857 1 3 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.069 0.335 18081 1858 1 3 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.463 -0.259 18081 1859 1 3 . 1 1 102 102 GLU H H 102 8.144 8.144 8.343 -0.199 18081 1860 1 3 . 1 1 103 103 TYR N N 103 125.807 125.807 119.659 6.148 18081 1861 1 3 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.983 -0.337 18081 1862 1 3 . 1 1 103 103 TYR C C 103 174.711 174.711 173.915 0.796 18081 1863 1 3 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.854 -0.516 18081 1864 1 3 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.818 -0.629 18081 1865 1 3 . 1 1 103 103 TYR H H 103 9.687 9.687 8.752 0.935 18081 1866 1 3 . 1 1 104 104 ARG N N 104 124.463 124.463 121.655 2.808 18081 1867 1 3 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.067 -0.440 18081 1868 1 3 . 1 1 104 104 ARG C C 104 174.570 174.570 174.766 -0.196 18081 1869 1 3 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.413 1.352 18081 1870 1 3 . 1 1 104 104 ARG CB C 104 31.698 31.698 30.917 0.781 18081 1871 1 3 . 1 1 104 104 ARG H H 104 8.902 8.902 8.752 0.150 18081 1872 1 3 . 1 1 105 105 ILE N N 105 124.589 124.589 122.005 2.584 18081 1873 1 3 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.426 -0.057 18081 1874 1 3 . 1 1 105 105 ILE C C 105 175.576 175.576 173.540 2.036 18081 1875 1 3 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.655 -1.720 18081 1876 1 3 . 1 1 105 105 ILE CB C 105 39.811 39.811 41.037 -1.226 18081 1877 1 3 . 1 1 105 105 ILE H H 105 8.289 8.289 7.995 0.294 18081 1878 1 3 . 1 1 106 106 ILE N N 106 121.777 121.777 127.370 -5.593 18081 1879 1 3 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.564 0.474 18081 1880 1 3 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.782 -1.559 18081 1881 1 3 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.435 3.040 18081 1882 1 3 . 1 1 106 106 ILE H H 106 8.765 8.765 8.738 0.027 18081 1883 1 3 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.360 -0.238 18081 1884 1 3 . 1 1 109 109 GLN C C 109 175.724 175.724 174.227 1.497 18081 1885 1 3 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.321 0.151 18081 1886 1 3 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.866 -1.738 18081 1887 1 3 . 1 1 110 110 TYR N N 110 120.856 120.856 116.306 4.550 18081 1888 1 3 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.485 0.004 18081 1889 1 3 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.298 -0.313 18081 1890 1 3 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.898 -0.971 18081 1891 1 3 . 1 1 110 110 TYR H H 110 8.191 8.191 7.964 0.227 18081 1892 1 3 . 1 1 111 111 CYS N N 111 120.561 120.561 117.873 2.688 18081 1893 1 3 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.084 0.299 18081 1894 1 3 . 1 1 111 111 CYS C C 111 174.692 174.692 174.229 0.463 18081 1895 1 3 . 1 1 111 111 CYS CA C 111 58.617 58.617 61.161 -2.544 18081 1896 1 3 . 1 1 111 111 CYS CB C 111 27.976 27.976 27.821 0.155 18081 1897 1 3 . 1 1 111 111 CYS H H 111 8.166 8.166 8.662 -0.496 18081 1898 1 3 . 1 1 112 112 GLY N N 112 111.467 111.467 108.218 3.249 18081 1899 1 3 . 1 1 112 112 GLY C C 112 173.900 173.900 172.798 1.102 18081 1900 1 3 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.680 0.465 18081 1901 1 3 . 1 1 112 112 GLY H H 112 8.239 8.239 8.150 0.089 18081 1902 1 3 . 1 1 113 113 LEU N N 113 122.150 122.150 125.498 -3.348 18081 1903 1 3 . 1 1 113 113 LEU HA H 113 4.324 4.324 3.983 0.341 18081 1904 1 3 . 1 1 113 113 LEU C C 113 178.068 178.068 176.746 1.322 18081 1905 1 3 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.100 -0.382 18081 1906 1 3 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.520 0.559 18081 1907 1 3 . 1 1 113 113 LEU H H 113 8.179 8.179 8.433 -0.254 18081 1908 1 3 . 1 1 114 114 GLY N N 114 109.278 109.278 114.758 -5.480 18081 1909 1 3 . 1 1 114 114 GLY C C 114 174.142 174.142 174.550 -0.408 18081 1910 1 3 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.917 0.432 18081 1911 1 3 . 1 1 114 114 GLY H H 114 8.393 8.393 8.483 -0.090 18081 1912 1 3 . 1 1 117 117 ASN N N 117 120.387 120.387 116.557 3.830 18081 1913 1 3 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.297 0.381 18081 1914 1 3 . 1 1 117 117 ASN C C 117 174.422 174.422 174.931 -0.509 18081 1915 1 3 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.652 -0.473 18081 1916 1 3 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.477 0.538 18081 1917 1 3 . 1 1 117 117 ASN H H 117 8.522 8.522 8.498 0.024 18081 1918 1 3 . 1 1 118 118 MET N N 118 120.526 120.526 120.199 0.327 18081 1919 1 3 . 1 1 118 118 MET C C 118 173.321 173.321 175.263 -1.942 18081 1920 1 3 . 1 1 118 118 MET CA C 118 55.360 55.360 55.576 -0.216 18081 1921 1 3 . 1 1 118 118 MET CB C 118 34.467 34.467 33.409 1.058 18081 1922 1 3 . 1 1 118 118 MET H H 118 7.981 7.981 7.833 0.148 18081 1923 1 3 . 1 1 119 119 PHE N N 119 119.704 119.704 117.927 1.777 18081 1924 1 3 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.715 1.107 18081 1925 1 3 . 1 1 119 119 PHE C C 119 174.894 174.894 176.779 -1.885 18081 1926 1 3 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.363 -1.247 18081 1927 1 3 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.618 2.759 18081 1928 1 3 . 1 1 119 119 PHE H H 119 8.068 8.068 8.104 -0.036 18081 1929 1 3 . 1 1 120 120 GLY N N 120 109.869 109.869 112.212 -2.343 18081 1930 1 3 . 1 1 120 120 GLY C C 120 172.817 172.817 174.206 -1.389 18081 1931 1 3 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.886 -0.605 18081 1932 1 3 . 1 1 120 120 GLY H H 120 8.984 8.984 8.988 -0.004 18081 1933 1 3 . 1 1 121 121 THR N N 121 115.820 115.820 122.893 -7.073 18081 1934 1 3 . 1 1 121 121 THR HA H 121 5.068 5.068 4.509 0.559 18081 1935 1 3 . 1 1 121 121 THR C C 121 173.062 173.062 173.713 -0.651 18081 1936 1 3 . 1 1 121 121 THR CA C 121 62.745 62.745 63.974 -1.229 18081 1937 1 3 . 1 1 121 121 THR CB C 121 72.533 72.533 69.445 3.088 18081 1938 1 3 . 1 1 121 121 THR H H 121 8.123 8.123 8.140 -0.017 18081 1939 1 3 . 1 1 122 122 ILE N N 122 127.420 127.420 128.536 -1.116 18081 1940 1 3 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.184 0.651 18081 1941 1 3 . 1 1 122 122 ILE C C 122 174.260 174.260 172.805 1.455 18081 1942 1 3 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.831 -0.755 18081 1943 1 3 . 1 1 122 122 ILE CB C 122 40.399 40.399 43.227 -2.828 18081 1944 1 3 . 1 1 122 122 ILE H H 122 9.152 9.152 8.916 0.236 18081 1945 1 3 . 1 1 123 123 VAL N N 123 130.032 130.032 125.716 4.316 18081 1946 1 3 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.276 0.103 18081 1947 1 3 . 1 1 123 123 VAL C C 123 174.012 174.012 173.375 0.637 18081 1948 1 3 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.517 2.294 18081 1949 1 3 . 1 1 123 123 VAL CB C 123 33.280 33.280 36.066 -2.786 18081 1950 1 3 . 1 1 123 123 VAL H H 123 9.601 9.601 8.147 1.454 18081 1951 1 3 . 1 1 124 124 VAL N N 124 128.765 128.765 129.220 -0.455 18081 1952 1 3 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.612 0.087 18081 1953 1 3 . 1 1 124 124 VAL C C 124 177.239 177.239 175.204 2.035 18081 1954 1 3 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.201 -0.636 18081 1955 1 3 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.568 -2.265 18081 1956 1 3 . 1 1 124 124 VAL H H 124 9.056 9.056 7.813 1.243 18081 1957 1 3 . 1 1 125 125 LYS N N 125 129.953 129.953 127.875 2.078 18081 1958 1 3 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.634 -0.293 18081 1959 1 3 . 1 1 125 125 LYS C C 125 175.317 175.317 175.789 -0.472 18081 1960 1 3 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.917 1.532 18081 1961 1 3 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.915 0.662 18081 1962 1 3 . 1 1 125 125 LYS H H 125 8.854 8.854 8.693 0.161 18081 1963 1 4 . 1 1 2 2 VAL N N 2 126.137 126.137 120.129 6.008 18081 1964 1 4 . 1 1 2 2 VAL HA H 2 4.026 4.026 3.897 0.129 18081 1965 1 4 . 1 1 2 2 VAL C C 2 176.484 176.484 173.763 2.721 18081 1966 1 4 . 1 1 2 2 VAL CA C 2 62.568 62.568 63.276 -0.708 18081 1967 1 4 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.743 0.648 18081 1968 1 4 . 1 1 2 2 VAL H H 2 8.035 8.035 8.074 -0.039 18081 1969 1 4 . 1 1 3 3 ILE N N 3 124.059 124.059 115.286 8.773 18081 1970 1 4 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.742 -0.247 18081 1971 1 4 . 1 1 3 3 ILE C C 3 174.606 174.606 174.779 -0.173 18081 1972 1 4 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.403 -0.018 18081 1973 1 4 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.405 1.116 18081 1974 1 4 . 1 1 3 3 ILE H H 3 7.856 7.856 7.632 0.224 18081 1975 1 4 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.975 -0.602 18081 1976 1 4 . 1 1 4 4 PRO C C 4 176.585 176.585 175.601 0.984 18081 1977 1 4 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.493 0.697 18081 1978 1 4 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.941 -0.977 18081 1979 1 4 . 1 1 5 5 ALA N N 5 125.371 125.371 120.626 4.745 18081 1980 1 4 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.372 -0.085 18081 1981 1 4 . 1 1 5 5 ALA C C 5 178.454 178.454 176.425 2.029 18081 1982 1 4 . 1 1 5 5 ALA CA C 5 52.735 52.735 51.834 0.901 18081 1983 1 4 . 1 1 5 5 ALA CB C 5 19.043 19.043 20.361 -1.318 18081 1984 1 4 . 1 1 5 5 ALA H H 5 8.458 8.458 7.753 0.705 18081 1985 1 4 . 1 1 6 6 GLY N N 6 108.626 108.626 107.756 0.870 18081 1986 1 4 . 1 1 6 6 GLY C C 6 173.996 173.996 173.696 0.300 18081 1987 1 4 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.535 -0.364 18081 1988 1 4 . 1 1 6 6 GLY H H 6 8.378 8.378 8.301 0.077 18081 1989 1 4 . 1 1 7 7 LYS N N 7 121.320 121.320 116.334 4.986 18081 1990 1 4 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.414 -0.085 18081 1991 1 4 . 1 1 7 7 LYS C C 7 176.362 176.362 175.570 0.792 18081 1992 1 4 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.610 0.506 18081 1993 1 4 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.100 -0.116 18081 1994 1 4 . 1 1 7 7 LYS H H 7 7.976 7.976 7.841 0.135 18081 1995 1 4 . 1 1 8 8 LEU N N 8 124.548 124.548 118.952 5.596 18081 1996 1 4 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.457 -0.066 18081 1997 1 4 . 1 1 8 8 LEU C C 8 176.772 176.772 176.718 0.054 18081 1998 1 4 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.187 -0.005 18081 1999 1 4 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.554 -0.079 18081 2000 1 4 . 1 1 8 8 LEU H H 8 8.283 8.283 8.039 0.244 18081 2001 1 4 . 1 1 9 9 GLU N N 9 124.888 124.888 118.776 6.112 18081 2002 1 4 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.569 -0.179 18081 2003 1 4 . 1 1 9 9 GLU C C 9 174.919 174.919 175.503 -0.584 18081 2004 1 4 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.233 1.239 18081 2005 1 4 . 1 1 9 9 GLU CB C 9 30.611 30.611 31.855 -1.244 18081 2006 1 4 . 1 1 9 9 GLU H H 9 8.679 8.679 8.616 0.063 18081 2007 1 4 . 1 1 10 10 ARG N N 10 123.557 123.557 123.404 0.153 18081 2008 1 4 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.499 0.473 18081 2009 1 4 . 1 1 10 10 ARG C C 10 175.727 175.727 175.959 -0.232 18081 2010 1 4 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.733 -0.649 18081 2011 1 4 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.854 0.691 18081 2012 1 4 . 1 1 10 10 ARG H H 10 8.248 8.248 8.629 -0.381 18081 2013 1 4 . 1 1 11 11 VAL N N 11 118.077 118.077 115.742 2.335 18081 2014 1 4 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.439 -0.059 18081 2015 1 4 . 1 1 11 11 VAL C C 11 173.297 173.297 173.893 -0.596 18081 2016 1 4 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.719 -0.133 18081 2017 1 4 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.850 -0.087 18081 2018 1 4 . 1 1 11 11 VAL H H 11 8.039 8.039 7.963 0.076 18081 2019 1 4 . 1 1 12 12 ASP N N 12 123.786 123.786 117.823 5.963 18081 2020 1 4 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.093 -0.142 18081 2021 1 4 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.958 -1.359 18081 2022 1 4 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.755 -2.367 18081 2023 1 4 . 1 1 12 12 ASP H H 12 8.313 8.313 8.287 0.026 18081 2024 1 4 . 1 1 13 13 PRO C C 13 177.705 177.705 177.929 -0.224 18081 2025 1 4 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.353 0.386 18081 2026 1 4 . 1 1 13 13 PRO CB C 13 31.622 31.622 32.035 -0.413 18081 2027 1 4 . 1 1 14 14 THR N N 14 109.188 109.188 114.694 -5.506 18081 2028 1 4 . 1 1 14 14 THR HA H 14 4.252 4.252 4.028 0.224 18081 2029 1 4 . 1 1 14 14 THR C C 14 176.733 176.733 175.369 1.364 18081 2030 1 4 . 1 1 14 14 THR CA C 14 63.996 63.996 65.468 -1.472 18081 2031 1 4 . 1 1 14 14 THR CB C 14 69.270 69.270 68.847 0.423 18081 2032 1 4 . 1 1 14 14 THR H H 14 8.413 8.413 8.037 0.376 18081 2033 1 4 . 1 1 15 15 THR N N 15 108.904 108.904 109.283 -0.379 18081 2034 1 4 . 1 1 15 15 THR HA H 15 4.733 4.733 4.598 0.135 18081 2035 1 4 . 1 1 15 15 THR C C 15 177.174 177.174 174.775 2.399 18081 2036 1 4 . 1 1 15 15 THR CA C 15 61.589 61.589 61.171 0.418 18081 2037 1 4 . 1 1 15 15 THR CB C 15 70.654 70.654 70.358 0.296 18081 2038 1 4 . 1 1 15 15 THR H H 15 7.413 7.413 7.980 -0.567 18081 2039 1 4 . 1 1 16 16 VAL N N 16 122.387 122.387 123.250 -0.863 18081 2040 1 4 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.778 0.420 18081 2041 1 4 . 1 1 16 16 VAL C C 16 175.683 175.683 175.383 0.300 18081 2042 1 4 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.198 -0.746 18081 2043 1 4 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.257 -0.756 18081 2044 1 4 . 1 1 16 16 VAL H H 16 7.143 7.143 7.423 -0.280 18081 2045 1 4 . 1 1 17 17 ARG N N 17 115.917 115.917 116.155 -0.238 18081 2046 1 4 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.416 -0.145 18081 2047 1 4 . 1 1 17 17 ARG C C 17 175.861 175.861 178.306 -2.445 18081 2048 1 4 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.968 -0.918 18081 2049 1 4 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.906 0.120 18081 2050 1 4 . 1 1 17 17 ARG H H 17 8.227 8.227 8.330 -0.103 18081 2051 1 4 . 1 1 18 18 GLN N N 18 117.044 117.044 117.923 -0.879 18081 2052 1 4 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.316 0.083 18081 2053 1 4 . 1 1 18 18 GLN C C 18 175.506 175.506 175.571 -0.065 18081 2054 1 4 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.738 -0.599 18081 2055 1 4 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.410 1.399 18081 2056 1 4 . 1 1 18 18 GLN H H 18 7.765 7.765 8.183 -0.418 18081 2057 1 4 . 1 1 19 19 GLU N N 19 118.659 118.659 119.029 -0.370 18081 2058 1 4 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.474 0.085 18081 2059 1 4 . 1 1 19 19 GLU C C 19 175.081 175.081 174.767 0.314 18081 2060 1 4 . 1 1 19 19 GLU CA C 19 55.182 55.182 56.059 -0.877 18081 2061 1 4 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.114 0.277 18081 2062 1 4 . 1 1 19 19 GLU H H 19 8.070 8.070 8.062 0.008 18081 2063 1 4 . 1 1 20 20 GLY N N 20 113.694 113.694 112.259 1.435 18081 2064 1 4 . 1 1 20 20 GLY C C 20 174.150 174.150 172.385 1.765 18081 2065 1 4 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.832 -0.284 18081 2066 1 4 . 1 1 20 20 GLY H H 20 8.933 8.933 8.118 0.815 18081 2067 1 4 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.242 -0.569 18081 2068 1 4 . 1 1 21 21 PRO C C 21 176.703 176.703 177.004 -0.301 18081 2069 1 4 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.807 0.074 18081 2070 1 4 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.211 -1.174 18081 2071 1 4 . 1 1 22 22 TRP N N 22 117.898 117.898 115.848 2.050 18081 2072 1 4 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.654 -0.339 18081 2073 1 4 . 1 1 22 22 TRP C C 22 174.965 174.965 176.742 -1.777 18081 2074 1 4 . 1 1 22 22 TRP CA C 22 60.521 60.521 58.126 2.395 18081 2075 1 4 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.702 0.569 18081 2076 1 4 . 1 1 22 22 TRP H H 22 8.759 8.759 8.115 0.644 18081 2077 1 4 . 1 1 23 23 ALA N N 23 120.887 120.887 122.041 -1.154 18081 2078 1 4 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.599 -0.675 18081 2079 1 4 . 1 1 23 23 ALA C C 23 177.520 177.520 178.388 -0.868 18081 2080 1 4 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.193 1.588 18081 2081 1 4 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.491 -0.944 18081 2082 1 4 . 1 1 23 23 ALA H H 23 7.232 7.232 7.123 0.109 18081 2083 1 4 . 1 1 24 24 ASP N N 24 115.176 115.176 118.724 -3.548 18081 2084 1 4 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.073 0.113 18081 2085 1 4 . 1 1 24 24 ASP C C 24 176.860 176.860 176.265 0.595 18081 2086 1 4 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.878 -2.258 18081 2087 1 4 . 1 1 24 24 ASP CB C 24 41.487 41.487 41.927 -0.440 18081 2088 1 4 . 1 1 24 24 ASP H H 24 7.718 7.718 7.595 0.123 18081 2089 1 4 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.320 -0.021 18081 2090 1 4 . 1 1 25 25 PRO C C 25 177.445 177.445 177.782 -0.337 18081 2091 1 4 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.753 -0.272 18081 2092 1 4 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.026 -0.130 18081 2093 1 4 . 1 1 26 26 ALA N N 26 120.150 120.150 119.656 0.494 18081 2094 1 4 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.237 0.068 18081 2095 1 4 . 1 1 26 26 ALA C C 26 179.061 179.061 178.190 0.871 18081 2096 1 4 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.711 0.136 18081 2097 1 4 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.234 0.018 18081 2098 1 4 . 1 1 26 26 ALA H H 26 8.158 8.158 8.265 -0.107 18081 2099 1 4 . 1 1 27 27 GLN N N 27 117.617 117.617 116.564 1.053 18081 2100 1 4 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.305 0.390 18081 2101 1 4 . 1 1 27 27 GLN C C 27 175.309 175.309 176.134 -0.825 18081 2102 1 4 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.408 -1.151 18081 2103 1 4 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.298 0.434 18081 2104 1 4 . 1 1 27 27 GLN H H 27 7.732 7.732 7.538 0.194 18081 2105 1 4 . 1 1 28 28 ALA N N 28 122.069 122.069 122.863 -0.794 18081 2106 1 4 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.275 0.106 18081 2107 1 4 . 1 1 28 28 ALA C C 28 176.358 176.358 177.784 -1.426 18081 2108 1 4 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.390 1.192 18081 2109 1 4 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.049 1.872 18081 2110 1 4 . 1 1 28 28 ALA H H 28 6.996 6.996 7.322 -0.326 18081 2111 1 4 . 1 1 29 29 VAL N N 29 114.478 114.478 118.427 -3.949 18081 2112 1 4 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.398 0.309 18081 2113 1 4 . 1 1 29 29 VAL C C 29 176.252 176.252 175.279 0.973 18081 2114 1 4 . 1 1 29 29 VAL CA C 29 61.989 61.989 61.241 0.748 18081 2115 1 4 . 1 1 29 29 VAL CB C 29 31.600 31.600 32.722 -1.122 18081 2116 1 4 . 1 1 29 29 VAL H H 29 7.868 7.868 7.842 0.026 18081 2117 1 4 . 1 1 30 30 VAL N N 30 129.718 129.718 124.288 5.430 18081 2118 1 4 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.612 -0.225 18081 2119 1 4 . 1 1 30 30 VAL C C 30 175.107 175.107 175.100 0.007 18081 2120 1 4 . 1 1 30 30 VAL CA C 30 60.743 60.743 59.101 1.642 18081 2121 1 4 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.491 -0.233 18081 2122 1 4 . 1 1 30 30 VAL H H 30 9.556 9.556 8.489 1.067 18081 2123 1 4 . 1 1 31 31 GLN N N 31 129.372 129.372 124.950 4.422 18081 2124 1 4 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.388 -0.247 18081 2125 1 4 . 1 1 31 31 GLN C C 31 176.413 176.413 175.972 0.441 18081 2126 1 4 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.723 0.327 18081 2127 1 4 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.716 -1.665 18081 2128 1 4 . 1 1 31 31 GLN H H 31 9.153 9.153 8.776 0.377 18081 2129 1 4 . 1 1 32 32 THR N N 32 119.775 119.775 117.739 2.036 18081 2130 1 4 . 1 1 32 32 THR HA H 32 4.392 4.392 4.510 -0.118 18081 2131 1 4 . 1 1 32 32 THR C C 32 174.102 174.102 174.594 -0.492 18081 2132 1 4 . 1 1 32 32 THR CA C 32 61.678 61.678 61.767 -0.089 18081 2133 1 4 . 1 1 32 32 THR CB C 32 68.775 68.775 70.243 -1.468 18081 2134 1 4 . 1 1 32 32 THR H H 32 8.266 8.266 8.030 0.236 18081 2135 1 4 . 1 1 33 33 GLY N N 33 111.761 111.761 109.904 1.857 18081 2136 1 4 . 1 1 33 33 GLY C C 33 170.586 170.586 173.029 -2.443 18081 2137 1 4 . 1 1 33 33 GLY CA C 33 45.082 45.082 42.689 2.393 18081 2138 1 4 . 1 1 33 33 GLY H H 33 7.997 7.997 7.396 0.601 18081 2139 1 4 . 1 1 34 34 PRO C C 34 176.674 176.674 176.361 0.313 18081 2140 1 4 . 1 1 34 34 PRO CA C 34 64.881 64.881 63.766 1.115 18081 2141 1 4 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.030 -0.669 18081 2142 1 4 . 1 1 35 35 ASN N N 35 117.681 117.681 114.536 3.145 18081 2143 1 4 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.796 0.058 18081 2144 1 4 . 1 1 35 35 ASN C C 35 173.262 173.262 173.039 0.223 18081 2145 1 4 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.009 -0.886 18081 2146 1 4 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.148 0.608 18081 2147 1 4 . 1 1 35 35 ASN H H 35 8.649 8.649 8.139 0.510 18081 2148 1 4 . 1 1 36 36 GLN N N 36 119.276 119.276 115.466 3.810 18081 2149 1 4 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.193 0.374 18081 2150 1 4 . 1 1 36 36 GLN C C 36 173.292 173.292 173.059 0.233 18081 2151 1 4 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.607 -0.004 18081 2152 1 4 . 1 1 36 36 GLN CB C 36 33.874 33.874 32.589 1.285 18081 2153 1 4 . 1 1 36 36 GLN H H 36 6.953 6.953 7.066 -0.113 18081 2154 1 4 . 1 1 37 37 TYR N N 37 125.339 125.339 117.492 7.847 18081 2155 1 4 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.101 -0.037 18081 2156 1 4 . 1 1 37 37 TYR C C 37 174.321 174.321 175.006 -0.685 18081 2157 1 4 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.524 -0.052 18081 2158 1 4 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.391 -1.695 18081 2159 1 4 . 1 1 37 37 TYR H H 37 8.898 8.898 8.728 0.170 18081 2160 1 4 . 1 1 38 38 THR N N 38 121.935 121.935 120.099 1.836 18081 2161 1 4 . 1 1 38 38 THR HA H 38 5.098 5.098 4.539 0.559 18081 2162 1 4 . 1 1 38 38 THR C C 38 172.253 172.253 173.893 -1.640 18081 2163 1 4 . 1 1 38 38 THR CA C 38 61.589 61.589 61.939 -0.350 18081 2164 1 4 . 1 1 38 38 THR CB C 38 69.764 69.764 68.481 1.283 18081 2165 1 4 . 1 1 38 38 THR H H 38 9.592 9.592 8.972 0.620 18081 2166 1 4 . 1 1 39 39 VAL N N 39 126.189 126.189 128.559 -2.370 18081 2167 1 4 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.916 1.185 18081 2168 1 4 . 1 1 39 39 VAL C C 39 174.612 174.612 174.266 0.346 18081 2169 1 4 . 1 1 39 39 VAL CA C 39 59.631 59.631 62.308 -2.677 18081 2170 1 4 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.132 1.939 18081 2171 1 4 . 1 1 39 39 VAL H H 39 8.710 8.710 7.972 0.738 18081 2172 1 4 . 1 1 40 40 TYR N N 40 130.243 130.243 125.820 4.423 18081 2173 1 4 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.027 -0.386 18081 2174 1 4 . 1 1 40 40 TYR C C 40 174.840 174.840 175.860 -1.020 18081 2175 1 4 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.619 2.033 18081 2176 1 4 . 1 1 40 40 TYR CB C 40 36.840 36.840 40.038 -3.198 18081 2177 1 4 . 1 1 40 40 TYR H H 40 9.139 9.139 7.722 1.417 18081 2178 1 4 . 1 1 41 41 VAL N N 41 124.415 124.415 119.247 5.168 18081 2179 1 4 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.851 0.489 18081 2180 1 4 . 1 1 41 41 VAL C C 41 175.680 175.680 174.114 1.566 18081 2181 1 4 . 1 1 41 41 VAL CA C 41 60.254 60.254 60.244 0.010 18081 2182 1 4 . 1 1 41 41 VAL CB C 41 34.862 34.862 35.582 -0.720 18081 2183 1 4 . 1 1 41 41 VAL H H 41 8.686 8.686 9.418 -0.732 18081 2184 1 4 . 1 1 42 42 LEU N N 42 129.148 129.148 126.457 2.691 18081 2185 1 4 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.104 0.042 18081 2186 1 4 . 1 1 42 42 LEU C C 42 175.161 175.161 175.490 -0.329 18081 2187 1 4 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.304 -1.525 18081 2188 1 4 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.023 -0.384 18081 2189 1 4 . 1 1 42 42 LEU H H 42 9.694 9.694 8.535 1.159 18081 2190 1 4 . 1 1 43 43 ALA N N 43 130.434 130.434 127.870 2.564 18081 2191 1 4 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.396 0.326 18081 2192 1 4 . 1 1 43 43 ALA C C 43 173.292 173.292 175.131 -1.839 18081 2193 1 4 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.540 -1.386 18081 2194 1 4 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.298 -1.168 18081 2195 1 4 . 1 1 43 43 ALA H H 43 8.679 8.679 8.122 0.557 18081 2196 1 4 . 1 1 44 44 PHE N N 44 118.472 118.472 120.210 -1.738 18081 2197 1 4 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.704 0.505 18081 2198 1 4 . 1 1 44 44 PHE C C 44 172.698 172.698 174.164 -1.466 18081 2199 1 4 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.448 -1.323 18081 2200 1 4 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.135 2.538 18081 2201 1 4 . 1 1 44 44 PHE H H 44 7.756 7.756 6.845 0.911 18081 2202 1 4 . 1 1 45 45 ALA N N 45 122.901 122.901 122.250 0.651 18081 2203 1 4 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.248 -0.835 18081 2204 1 4 . 1 1 45 45 ALA C C 45 177.267 177.267 176.665 0.602 18081 2205 1 4 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.225 -5.942 18081 2206 1 4 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.798 -3.018 18081 2207 1 4 . 1 1 45 45 ALA H H 45 9.739 9.739 8.405 1.334 18081 2208 1 4 . 1 1 46 46 PHE N N 46 128.515 128.515 117.159 11.356 18081 2209 1 4 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.727 0.493 18081 2210 1 4 . 1 1 46 46 PHE C C 46 173.387 173.387 174.965 -1.578 18081 2211 1 4 . 1 1 46 46 PHE CA C 46 60.031 60.031 55.874 4.157 18081 2212 1 4 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.683 1.716 18081 2213 1 4 . 1 1 46 46 PHE H H 46 7.994 7.994 7.199 0.795 18081 2214 1 4 . 1 1 47 47 GLY N N 47 113.741 113.741 111.119 2.622 18081 2215 1 4 . 1 1 47 47 GLY C C 47 167.774 167.774 172.321 -4.547 18081 2216 1 4 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.341 0.894 18081 2217 1 4 . 1 1 47 47 GLY H H 47 7.796 7.796 7.960 -0.164 18081 2218 1 4 . 1 1 48 48 TYR N N 48 119.637 119.637 120.291 -0.654 18081 2219 1 4 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.742 0.596 18081 2220 1 4 . 1 1 48 48 TYR C C 48 175.042 175.042 174.910 0.132 18081 2221 1 4 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.609 -1.315 18081 2222 1 4 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.884 1.078 18081 2223 1 4 . 1 1 48 48 TYR H H 48 8.370 8.370 8.463 -0.093 18081 2224 1 4 . 1 1 49 49 GLN N N 49 121.776 121.776 122.831 -1.055 18081 2225 1 4 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.890 -0.073 18081 2226 1 4 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.410 -1.076 18081 2227 1 4 . 1 1 49 49 GLN CB C 49 33.874 33.874 29.299 4.575 18081 2228 1 4 . 1 1 49 49 GLN H H 49 9.163 9.163 8.276 0.887 18081 2229 1 4 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.605 0.137 18081 2230 1 4 . 1 1 50 50 PRO C C 50 174.271 174.271 176.030 -1.759 18081 2231 1 4 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.747 0.043 18081 2232 1 4 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.357 2.308 18081 2233 1 4 . 1 1 51 51 ASN N N 51 113.755 113.755 115.835 -2.080 18081 2234 1 4 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.979 0.101 18081 2235 1 4 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.343 -0.344 18081 2236 1 4 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.111 2.586 18081 2237 1 4 . 1 1 51 51 ASN H H 51 8.229 8.229 8.438 -0.209 18081 2238 1 4 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.445 0.826 18081 2239 1 4 . 1 1 52 52 PRO C C 52 176.525 176.525 175.729 0.796 18081 2240 1 4 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.876 0.715 18081 2241 1 4 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.132 4.775 18081 2242 1 4 . 1 1 53 53 ILE N N 53 120.452 120.452 124.220 -3.768 18081 2243 1 4 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.272 -0.206 18081 2244 1 4 . 1 1 53 53 ILE C C 53 174.236 174.236 174.410 -0.174 18081 2245 1 4 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.508 0.992 18081 2246 1 4 . 1 1 53 53 ILE CB C 53 39.905 39.905 39.801 0.103 18081 2247 1 4 . 1 1 53 53 ILE H H 53 8.321 8.321 8.224 0.097 18081 2248 1 4 . 1 1 54 54 GLU N N 54 129.279 129.279 129.038 0.241 18081 2249 1 4 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.735 0.732 18081 2250 1 4 . 1 1 54 54 GLU C C 54 175.598 175.598 175.096 0.502 18081 2251 1 4 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.008 -0.004 18081 2252 1 4 . 1 1 54 54 GLU CB C 54 30.907 30.907 31.678 -0.771 18081 2253 1 4 . 1 1 54 54 GLU H H 54 8.458 8.458 8.524 -0.066 18081 2254 1 4 . 1 1 55 55 VAL N N 55 115.767 115.767 125.788 -10.021 18081 2255 1 4 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.589 0.067 18081 2256 1 4 . 1 1 55 55 VAL C C 55 172.453 172.453 173.425 -0.972 18081 2257 1 4 . 1 1 55 55 VAL CA C 55 56.739 56.739 57.672 -0.933 18081 2258 1 4 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.124 -0.152 18081 2259 1 4 . 1 1 55 55 VAL H H 55 8.492 8.492 8.975 -0.483 18081 2260 1 4 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.735 -0.068 18081 2261 1 4 . 1 1 56 56 PRO C C 56 177.445 177.445 176.995 0.450 18081 2262 1 4 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.353 -0.675 18081 2263 1 4 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.695 0.300 18081 2264 1 4 . 1 1 57 57 GLN N N 57 122.020 122.020 124.777 -2.757 18081 2265 1 4 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.063 -0.173 18081 2266 1 4 . 1 1 57 57 GLN C C 57 176.735 176.735 176.799 -0.064 18081 2267 1 4 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.410 0.462 18081 2268 1 4 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.717 -0.875 18081 2269 1 4 . 1 1 57 57 GLN H H 57 8.466 8.466 8.103 0.363 18081 2270 1 4 . 1 1 58 58 GLY N N 58 112.805 112.805 111.302 1.503 18081 2271 1 4 . 1 1 58 58 GLY C C 58 172.686 172.686 173.404 -0.718 18081 2272 1 4 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.057 1.315 18081 2273 1 4 . 1 1 58 58 GLY H H 58 8.713 8.713 8.800 -0.087 18081 2274 1 4 . 1 1 59 59 ALA N N 59 122.839 122.839 124.515 -1.676 18081 2275 1 4 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.565 -0.014 18081 2276 1 4 . 1 1 59 59 ALA C C 59 176.659 176.659 176.053 0.606 18081 2277 1 4 . 1 1 59 59 ALA CA C 59 50.732 50.732 51.258 -0.526 18081 2278 1 4 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.413 -0.688 18081 2279 1 4 . 1 1 59 59 ALA H H 59 6.982 6.982 7.364 -0.382 18081 2280 1 4 . 1 1 60 60 GLU N N 60 123.390 123.390 119.725 3.665 18081 2281 1 4 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.344 -0.037 18081 2282 1 4 . 1 1 60 60 GLU C C 60 173.876 173.876 175.636 -1.760 18081 2283 1 4 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.791 0.037 18081 2284 1 4 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.904 -0.590 18081 2285 1 4 . 1 1 60 60 GLU H H 60 8.260 8.260 8.365 -0.105 18081 2286 1 4 . 1 1 61 61 ILE N N 61 130.883 130.883 122.242 8.641 18081 2287 1 4 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.612 0.210 18081 2288 1 4 . 1 1 61 61 ILE C C 61 175.267 175.267 175.349 -0.082 18081 2289 1 4 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.942 -1.519 18081 2290 1 4 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.527 -3.775 18081 2291 1 4 . 1 1 61 61 ILE H H 61 9.103 9.103 8.464 0.639 18081 2292 1 4 . 1 1 62 62 VAL N N 62 127.879 127.879 127.598 0.281 18081 2293 1 4 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.724 -0.376 18081 2294 1 4 . 1 1 62 62 VAL C C 62 175.598 175.598 175.588 0.010 18081 2295 1 4 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.130 -0.387 18081 2296 1 4 . 1 1 62 62 VAL CB C 62 31.204 31.204 32.139 -0.935 18081 2297 1 4 . 1 1 62 62 VAL H H 62 8.992 8.992 8.761 0.231 18081 2298 1 4 . 1 1 63 63 PHE N N 63 125.354 125.354 129.183 -3.829 18081 2299 1 4 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.559 0.434 18081 2300 1 4 . 1 1 63 63 PHE C C 63 175.507 175.507 175.182 0.325 18081 2301 1 4 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.441 -1.634 18081 2302 1 4 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.068 -0.460 18081 2303 1 4 . 1 1 63 63 PHE H H 63 9.521 9.521 8.859 0.662 18081 2304 1 4 . 1 1 64 64 LYS N N 64 123.471 123.471 122.792 0.679 18081 2305 1 4 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.222 -0.129 18081 2306 1 4 . 1 1 64 64 LYS C C 64 175.877 175.877 175.645 0.232 18081 2307 1 4 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.356 -0.975 18081 2308 1 4 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.228 -1.159 18081 2309 1 4 . 1 1 64 64 LYS H H 64 8.977 8.977 8.654 0.323 18081 2310 1 4 . 1 1 65 65 ILE N N 65 125.792 125.792 125.415 0.377 18081 2311 1 4 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.332 0.471 18081 2312 1 4 . 1 1 65 65 ILE C C 65 175.724 175.724 175.578 0.146 18081 2313 1 4 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.222 -0.458 18081 2314 1 4 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.870 0.518 18081 2315 1 4 . 1 1 65 65 ILE H H 65 9.390 9.390 8.417 0.973 18081 2316 1 4 . 1 1 66 66 THR N N 66 119.455 119.455 117.610 1.845 18081 2317 1 4 . 1 1 66 66 THR HA H 66 4.583 4.583 4.448 0.135 18081 2318 1 4 . 1 1 66 66 THR C C 66 170.978 170.978 172.207 -1.229 18081 2319 1 4 . 1 1 66 66 THR CA C 66 61.233 61.233 61.012 0.221 18081 2320 1 4 . 1 1 66 66 THR CB C 66 70.456 70.456 69.361 1.095 18081 2321 1 4 . 1 1 66 66 THR H H 66 8.176 8.176 7.840 0.336 18081 2322 1 4 . 1 1 67 67 SER N N 67 115.523 115.523 120.966 -5.443 18081 2323 1 4 . 1 1 67 67 SER HA H 67 6.316 6.316 4.999 1.317 18081 2324 1 4 . 1 1 67 67 SER C C 67 174.516 174.516 172.788 1.728 18081 2325 1 4 . 1 1 67 67 SER CA C 67 51.222 51.222 56.309 -5.087 18081 2326 1 4 . 1 1 67 67 SER CB C 67 66.501 66.501 66.124 0.377 18081 2327 1 4 . 1 1 67 67 SER H H 67 7.190 7.190 8.513 -1.323 18081 2328 1 4 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.423 0.405 18081 2329 1 4 . 1 1 68 68 PRO C C 68 174.360 174.360 175.796 -1.436 18081 2330 1 4 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.894 -2.326 18081 2331 1 4 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.227 0.262 18081 2332 1 4 . 1 1 69 69 ASP N N 69 120.505 120.505 117.923 2.582 18081 2333 1 4 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.878 -0.130 18081 2334 1 4 . 1 1 69 69 ASP C C 69 173.775 173.775 174.376 -0.601 18081 2335 1 4 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.211 1.238 18081 2336 1 4 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.676 1.305 18081 2337 1 4 . 1 1 69 69 ASP H H 69 8.594 8.594 8.367 0.227 18081 2338 1 4 . 1 1 70 70 VAL N N 70 120.074 120.074 115.633 4.441 18081 2339 1 4 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.336 0.238 18081 2340 1 4 . 1 1 70 70 VAL C C 70 174.866 174.866 174.099 0.767 18081 2341 1 4 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.285 -1.054 18081 2342 1 4 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.297 -0.236 18081 2343 1 4 . 1 1 70 70 VAL H H 70 10.855 10.855 7.733 3.122 18081 2344 1 4 . 1 1 71 71 ILE N N 71 121.272 121.272 121.794 -0.522 18081 2345 1 4 . 1 1 71 71 ILE HA H 71 4.438 4.438 3.773 0.665 18081 2346 1 4 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.596 1.838 18081 2347 1 4 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.795 0.726 18081 2348 1 4 . 1 1 71 71 ILE H H 71 7.670 7.670 8.158 -0.488 18081 2349 1 4 . 1 1 73 73 GLY C C 73 172.580 172.580 173.051 -0.471 18081 2350 1 4 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.196 0.218 18081 2351 1 4 . 1 1 74 74 PHE N N 74 123.714 123.714 118.166 5.548 18081 2352 1 4 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.942 -0.657 18081 2353 1 4 . 1 1 74 74 PHE C C 74 171.502 171.502 173.841 -2.339 18081 2354 1 4 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.855 3.842 18081 2355 1 4 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.795 0.000 18081 2356 1 4 . 1 1 74 74 PHE H H 74 8.712 8.712 7.137 1.575 18081 2357 1 4 . 1 1 75 75 HIS N N 75 124.835 124.835 120.998 3.837 18081 2358 1 4 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.704 0.754 18081 2359 1 4 . 1 1 75 75 HIS C C 75 172.817 172.817 174.398 -1.581 18081 2360 1 4 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.712 -3.289 18081 2361 1 4 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.150 -1.627 18081 2362 1 4 . 1 1 75 75 HIS H H 75 7.786 7.786 8.624 -0.838 18081 2363 1 4 . 1 1 76 76 VAL N N 76 124.569 124.569 126.391 -1.822 18081 2364 1 4 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.913 0.380 18081 2365 1 4 . 1 1 76 76 VAL C C 76 175.843 175.843 174.294 1.549 18081 2366 1 4 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.956 0.743 18081 2367 1 4 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.574 -5.206 18081 2368 1 4 . 1 1 76 76 VAL H H 76 6.558 6.558 8.180 -1.622 18081 2369 1 4 . 1 1 77 77 GLU N N 77 132.091 132.091 123.369 8.722 18081 2370 1 4 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.032 -0.143 18081 2371 1 4 . 1 1 77 77 GLU C C 77 176.941 176.941 177.729 -0.788 18081 2372 1 4 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.971 1.726 18081 2373 1 4 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.095 0.120 18081 2374 1 4 . 1 1 77 77 GLU H H 77 8.977 8.977 8.059 0.918 18081 2375 1 4 . 1 1 78 78 GLY N N 78 111.143 111.143 108.656 2.487 18081 2376 1 4 . 1 1 78 78 GLY C C 78 174.152 174.152 174.036 0.116 18081 2377 1 4 . 1 1 78 78 GLY CA C 78 45.260 45.260 46.421 -1.161 18081 2378 1 4 . 1 1 78 78 GLY H H 78 8.052 8.052 8.749 -0.697 18081 2379 1 4 . 1 1 79 79 THR N N 79 109.705 109.705 117.938 -8.233 18081 2380 1 4 . 1 1 79 79 THR HA H 79 4.949 4.949 4.517 0.432 18081 2381 1 4 . 1 1 79 79 THR C C 79 173.397 173.397 173.950 -0.553 18081 2382 1 4 . 1 1 79 79 THR CA C 79 60.076 60.076 60.743 -0.667 18081 2383 1 4 . 1 1 79 79 THR CB C 79 72.829 72.829 71.520 1.308 18081 2384 1 4 . 1 1 79 79 THR H H 79 7.810 7.810 7.824 -0.014 18081 2385 1 4 . 1 1 80 80 ASN N N 80 116.427 116.427 122.567 -6.140 18081 2386 1 4 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.790 0.130 18081 2387 1 4 . 1 1 80 80 ASN C C 80 175.665 175.665 175.035 0.630 18081 2388 1 4 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.366 -1.343 18081 2389 1 4 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.780 -0.248 18081 2390 1 4 . 1 1 80 80 ASN H H 80 7.856 7.856 8.703 -0.847 18081 2391 1 4 . 1 1 81 81 ILE N N 81 121.552 121.552 121.127 0.425 18081 2392 1 4 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.027 -0.230 18081 2393 1 4 . 1 1 81 81 ILE C C 81 176.564 176.564 174.946 1.618 18081 2394 1 4 . 1 1 81 81 ILE CA C 81 62.523 62.523 62.117 0.406 18081 2395 1 4 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.619 -0.518 18081 2396 1 4 . 1 1 81 81 ILE H H 81 8.493 8.493 7.905 0.588 18081 2397 1 4 . 1 1 82 82 ASN N N 82 131.507 131.507 128.334 3.173 18081 2398 1 4 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.880 0.271 18081 2399 1 4 . 1 1 82 82 ASN C C 82 173.025 173.025 174.272 -1.247 18081 2400 1 4 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.717 2.550 18081 2401 1 4 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.479 1.327 18081 2402 1 4 . 1 1 82 82 ASN H H 82 8.911 8.911 8.410 0.501 18081 2403 1 4 . 1 1 83 83 VAL N N 83 120.866 120.866 118.447 2.419 18081 2404 1 4 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.456 0.209 18081 2405 1 4 . 1 1 83 83 VAL C C 83 173.954 173.954 174.137 -0.183 18081 2406 1 4 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.410 -1.290 18081 2407 1 4 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.207 3.446 18081 2408 1 4 . 1 1 83 83 VAL H H 83 8.356 8.356 8.126 0.230 18081 2409 1 4 . 1 1 84 84 GLU N N 84 125.997 125.997 126.407 -0.410 18081 2410 1 4 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.507 0.080 18081 2411 1 4 . 1 1 84 84 GLU C C 84 174.600 174.600 174.584 0.016 18081 2412 1 4 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.367 -0.340 18081 2413 1 4 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.981 -1.172 18081 2414 1 4 . 1 1 84 84 GLU H H 84 8.534 8.534 8.473 0.061 18081 2415 1 4 . 1 1 85 85 VAL N N 85 125.888 125.888 124.184 1.704 18081 2416 1 4 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.354 -0.305 18081 2417 1 4 . 1 1 85 85 VAL C C 85 173.256 173.256 174.574 -1.318 18081 2418 1 4 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.868 0.649 18081 2419 1 4 . 1 1 85 85 VAL CB C 85 32.786 32.786 35.694 -2.908 18081 2420 1 4 . 1 1 85 85 VAL H H 85 8.782 8.782 8.495 0.287 18081 2421 1 4 . 1 1 86 86 LEU N N 86 128.745 128.745 125.122 3.623 18081 2422 1 4 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.340 0.461 18081 2423 1 4 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.724 -1.790 18081 2424 1 4 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.965 1.445 18081 2425 1 4 . 1 1 86 86 LEU H H 86 9.131 9.131 8.392 0.739 18081 2426 1 4 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.528 0.136 18081 2427 1 4 . 1 1 87 87 PRO C C 87 178.454 178.454 177.608 0.846 18081 2428 1 4 . 1 1 87 87 PRO CA C 87 62.612 62.612 62.998 -0.386 18081 2429 1 4 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.388 -1.183 18081 2430 1 4 . 1 1 88 88 GLY N N 88 112.804 112.804 108.756 4.048 18081 2431 1 4 . 1 1 88 88 GLY C C 88 173.451 173.451 173.148 0.303 18081 2432 1 4 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.178 -0.096 18081 2433 1 4 . 1 1 88 88 GLY H H 88 9.103 9.103 8.576 0.527 18081 2434 1 4 . 1 1 89 89 GLU N N 89 118.355 118.355 116.493 1.862 18081 2435 1 4 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.594 0.506 18081 2436 1 4 . 1 1 89 89 GLU C C 89 176.719 176.719 174.284 2.435 18081 2437 1 4 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.228 0.019 18081 2438 1 4 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.935 -0.072 18081 2439 1 4 . 1 1 89 89 GLU H H 89 7.764 7.764 7.552 0.212 18081 2440 1 4 . 1 1 90 90 VAL N N 90 127.142 127.142 121.254 5.888 18081 2441 1 4 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.827 -0.327 18081 2442 1 4 . 1 1 90 90 VAL C C 90 176.838 176.838 175.978 0.860 18081 2443 1 4 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.509 0.347 18081 2444 1 4 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.221 0.917 18081 2445 1 4 . 1 1 90 90 VAL H H 90 8.830 8.830 8.113 0.717 18081 2446 1 4 . 1 1 91 91 SER N N 91 127.859 127.859 123.257 4.602 18081 2447 1 4 . 1 1 91 91 SER HA H 91 4.924 4.924 4.695 0.229 18081 2448 1 4 . 1 1 91 91 SER C C 91 173.015 173.015 173.596 -0.581 18081 2449 1 4 . 1 1 91 91 SER CA C 91 58.118 58.118 58.164 -0.046 18081 2450 1 4 . 1 1 91 91 SER CB C 91 63.931 63.931 64.287 -0.356 18081 2451 1 4 . 1 1 91 91 SER H H 91 9.710 9.710 8.358 1.352 18081 2452 1 4 . 1 1 92 92 THR N N 92 122.627 122.627 117.825 4.802 18081 2453 1 4 . 1 1 92 92 THR HA H 92 5.682 5.682 5.383 0.299 18081 2454 1 4 . 1 1 92 92 THR C C 92 174.480 174.480 173.900 0.580 18081 2455 1 4 . 1 1 92 92 THR CA C 92 61.856 61.856 61.627 0.229 18081 2456 1 4 . 1 1 92 92 THR CB C 92 70.160 70.160 70.620 -0.460 18081 2457 1 4 . 1 1 92 92 THR H H 92 8.864 8.864 8.237 0.627 18081 2458 1 4 . 1 1 93 93 VAL N N 93 126.698 126.698 125.028 1.670 18081 2459 1 4 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.447 0.060 18081 2460 1 4 . 1 1 93 93 VAL C C 93 173.002 173.002 175.113 -2.111 18081 2461 1 4 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.696 -1.042 18081 2462 1 4 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.068 0.585 18081 2463 1 4 . 1 1 93 93 VAL H H 93 8.806 8.806 8.394 0.412 18081 2464 1 4 . 1 1 94 94 ARG N N 94 126.396 126.396 126.833 -0.437 18081 2465 1 4 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.113 0.777 18081 2466 1 4 . 1 1 94 94 ARG C C 94 175.885 175.885 175.298 0.587 18081 2467 1 4 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.797 -0.416 18081 2468 1 4 . 1 1 94 94 ARG CB C 94 32.588 32.588 28.930 3.658 18081 2469 1 4 . 1 1 94 94 ARG H H 94 8.630 8.630 8.736 -0.106 18081 2470 1 4 . 1 1 95 95 TYR N N 95 126.390 126.390 122.487 3.903 18081 2471 1 4 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.657 -0.337 18081 2472 1 4 . 1 1 95 95 TYR C C 95 172.683 172.683 174.303 -1.620 18081 2473 1 4 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.535 2.051 18081 2474 1 4 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.135 4.318 18081 2475 1 4 . 1 1 95 95 TYR H H 95 9.623 9.623 7.917 1.706 18081 2476 1 4 . 1 1 96 96 THR N N 96 121.396 121.396 119.863 1.533 18081 2477 1 4 . 1 1 96 96 THR HA H 96 4.684 4.684 4.667 0.017 18081 2478 1 4 . 1 1 96 96 THR C C 96 172.729 172.729 173.039 -0.310 18081 2479 1 4 . 1 1 96 96 THR CA C 96 61.322 61.322 60.225 1.097 18081 2480 1 4 . 1 1 96 96 THR CB C 96 70.160 70.160 70.359 -0.199 18081 2481 1 4 . 1 1 96 96 THR H H 96 6.742 6.742 7.917 -1.175 18081 2482 1 4 . 1 1 97 97 PHE N N 97 126.539 126.539 126.549 -0.010 18081 2483 1 4 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.678 -0.225 18081 2484 1 4 . 1 1 97 97 PHE C C 97 176.075 176.075 175.758 0.317 18081 2485 1 4 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.818 1.389 18081 2486 1 4 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.655 -1.747 18081 2487 1 4 . 1 1 97 97 PHE H H 97 8.933 8.933 8.679 0.254 18081 2488 1 4 . 1 1 98 98 LYS N N 98 123.417 123.417 118.444 4.973 18081 2489 1 4 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.472 -0.079 18081 2490 1 4 . 1 1 98 98 LYS C C 98 175.939 175.939 175.832 0.107 18081 2491 1 4 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.308 0.475 18081 2492 1 4 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.997 -1.013 18081 2493 1 4 . 1 1 98 98 LYS H H 98 8.604 8.604 8.855 -0.251 18081 2494 1 4 . 1 1 99 99 ARG N N 99 118.424 118.424 119.715 -1.291 18081 2495 1 4 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.582 0.438 18081 2496 1 4 . 1 1 99 99 ARG C C 99 174.332 174.332 173.214 1.118 18081 2497 1 4 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.629 -1.028 18081 2498 1 4 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.708 -0.108 18081 2499 1 4 . 1 1 99 99 ARG H H 99 7.801 7.801 7.592 0.209 18081 2500 1 4 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.335 0.048 18081 2501 1 4 . 1 1 100 100 PRO C C 100 175.190 175.190 176.556 -1.366 18081 2502 1 4 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.545 0.023 18081 2503 1 4 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.185 0.403 18081 2504 1 4 . 1 1 101 101 GLY N N 101 108.626 108.626 107.872 0.754 18081 2505 1 4 . 1 1 101 101 GLY C C 101 171.375 171.375 171.918 -0.543 18081 2506 1 4 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.855 -0.752 18081 2507 1 4 . 1 1 101 101 GLY H H 101 8.685 8.685 7.853 0.832 18081 2508 1 4 . 1 1 102 102 GLU N N 102 119.327 119.327 121.789 -2.462 18081 2509 1 4 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.636 0.515 18081 2510 1 4 . 1 1 102 102 GLU C C 102 176.066 176.066 175.637 0.429 18081 2511 1 4 . 1 1 102 102 GLU CA C 102 55.404 55.404 54.855 0.549 18081 2512 1 4 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.122 0.082 18081 2513 1 4 . 1 1 102 102 GLU H H 102 8.144 8.144 8.427 -0.283 18081 2514 1 4 . 1 1 103 103 TYR N N 103 125.807 125.807 121.005 4.802 18081 2515 1 4 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.862 -0.216 18081 2516 1 4 . 1 1 103 103 TYR C C 103 174.711 174.711 173.359 1.352 18081 2517 1 4 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.828 -0.490 18081 2518 1 4 . 1 1 103 103 TYR CB C 103 40.189 40.189 41.305 -1.116 18081 2519 1 4 . 1 1 103 103 TYR H H 103 9.687 9.687 7.848 1.839 18081 2520 1 4 . 1 1 104 104 ARG N N 104 124.463 124.463 120.248 4.215 18081 2521 1 4 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.544 0.083 18081 2522 1 4 . 1 1 104 104 ARG C C 104 174.570 174.570 175.275 -0.705 18081 2523 1 4 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.062 1.703 18081 2524 1 4 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.857 -1.159 18081 2525 1 4 . 1 1 104 104 ARG H H 104 8.902 8.902 8.405 0.497 18081 2526 1 4 . 1 1 105 105 ILE N N 105 124.589 124.589 117.791 6.798 18081 2527 1 4 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.876 0.493 18081 2528 1 4 . 1 1 105 105 ILE C C 105 175.576 175.576 174.554 1.022 18081 2529 1 4 . 1 1 105 105 ILE CA C 105 59.935 59.935 62.550 -2.615 18081 2530 1 4 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.143 1.668 18081 2531 1 4 . 1 1 105 105 ILE H H 105 8.289 8.289 8.546 -0.257 18081 2532 1 4 . 1 1 106 106 ILE N N 106 121.777 121.777 125.479 -3.702 18081 2533 1 4 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.421 0.617 18081 2534 1 4 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.242 -1.019 18081 2535 1 4 . 1 1 106 106 ILE CB C 106 42.475 42.475 40.025 2.450 18081 2536 1 4 . 1 1 106 106 ILE H H 106 8.765 8.765 8.529 0.236 18081 2537 1 4 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.535 -0.413 18081 2538 1 4 . 1 1 109 109 GLN C C 109 175.724 175.724 175.319 0.405 18081 2539 1 4 . 1 1 109 109 GLN CA C 109 56.472 56.472 54.740 1.732 18081 2540 1 4 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.654 -1.526 18081 2541 1 4 . 1 1 110 110 TYR N N 110 120.856 120.856 122.347 -1.491 18081 2542 1 4 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.635 -0.146 18081 2543 1 4 . 1 1 110 110 TYR CA C 110 57.985 57.985 57.608 0.377 18081 2544 1 4 . 1 1 110 110 TYR CB C 110 37.927 37.927 37.523 0.404 18081 2545 1 4 . 1 1 110 110 TYR H H 110 8.191 8.191 8.533 -0.342 18081 2546 1 4 . 1 1 111 111 CYS N N 111 120.561 120.561 119.905 0.656 18081 2547 1 4 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.310 0.073 18081 2548 1 4 . 1 1 111 111 CYS C C 111 174.692 174.692 173.709 0.983 18081 2549 1 4 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.375 -0.758 18081 2550 1 4 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.867 -0.891 18081 2551 1 4 . 1 1 111 111 CYS H H 111 8.166 8.166 8.202 -0.036 18081 2552 1 4 . 1 1 112 112 GLY N N 112 111.467 111.467 108.909 2.558 18081 2553 1 4 . 1 1 112 112 GLY C C 112 173.900 173.900 172.118 1.782 18081 2554 1 4 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.924 0.221 18081 2555 1 4 . 1 1 112 112 GLY H H 112 8.239 8.239 7.926 0.313 18081 2556 1 4 . 1 1 113 113 LEU N N 113 122.150 122.150 120.143 2.007 18081 2557 1 4 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.676 -0.352 18081 2558 1 4 . 1 1 113 113 LEU C C 113 178.068 178.068 175.970 2.098 18081 2559 1 4 . 1 1 113 113 LEU CA C 113 55.718 55.718 54.031 1.687 18081 2560 1 4 . 1 1 113 113 LEU CB C 113 42.079 42.079 43.654 -1.575 18081 2561 1 4 . 1 1 113 113 LEU H H 113 8.179 8.179 8.286 -0.107 18081 2562 1 4 . 1 1 114 114 GLY N N 114 109.278 109.278 112.904 -3.626 18081 2563 1 4 . 1 1 114 114 GLY C C 114 174.142 174.142 173.957 0.185 18081 2564 1 4 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.852 0.497 18081 2565 1 4 . 1 1 114 114 GLY H H 114 8.393 8.393 8.571 -0.178 18081 2566 1 4 . 1 1 117 117 ASN N N 117 120.387 120.387 116.204 4.183 18081 2567 1 4 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.291 0.387 18081 2568 1 4 . 1 1 117 117 ASN C C 117 174.422 174.422 174.628 -0.206 18081 2569 1 4 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.100 0.079 18081 2570 1 4 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.457 0.558 18081 2571 1 4 . 1 1 117 117 ASN H H 117 8.522 8.522 8.516 0.006 18081 2572 1 4 . 1 1 118 118 MET N N 118 120.526 120.526 121.383 -0.857 18081 2573 1 4 . 1 1 118 118 MET C C 118 173.321 173.321 175.811 -2.490 18081 2574 1 4 . 1 1 118 118 MET CA C 118 55.360 55.360 55.988 -0.628 18081 2575 1 4 . 1 1 118 118 MET CB C 118 34.467 34.467 33.446 1.021 18081 2576 1 4 . 1 1 118 118 MET H H 118 7.981 7.981 8.492 -0.511 18081 2577 1 4 . 1 1 119 119 PHE N N 119 119.704 119.704 119.557 0.147 18081 2578 1 4 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.660 1.162 18081 2579 1 4 . 1 1 119 119 PHE C C 119 174.894 174.894 176.340 -1.446 18081 2580 1 4 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.767 -0.651 18081 2581 1 4 . 1 1 119 119 PHE CB C 119 42.377 42.377 38.946 3.431 18081 2582 1 4 . 1 1 119 119 PHE H H 119 8.068 8.068 8.183 -0.115 18081 2583 1 4 . 1 1 120 120 GLY N N 120 109.869 109.869 111.812 -1.943 18081 2584 1 4 . 1 1 120 120 GLY C C 120 172.817 172.817 172.825 -0.008 18081 2585 1 4 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.484 -0.204 18081 2586 1 4 . 1 1 120 120 GLY H H 120 8.984 8.984 8.780 0.204 18081 2587 1 4 . 1 1 121 121 THR N N 121 115.820 115.820 114.566 1.254 18081 2588 1 4 . 1 1 121 121 THR HA H 121 5.068 5.068 4.526 0.542 18081 2589 1 4 . 1 1 121 121 THR C C 121 173.062 173.062 173.190 -0.128 18081 2590 1 4 . 1 1 121 121 THR CA C 121 62.745 62.745 62.218 0.527 18081 2591 1 4 . 1 1 121 121 THR CB C 121 72.533 72.533 71.558 0.975 18081 2592 1 4 . 1 1 121 121 THR H H 121 8.123 8.123 8.212 -0.089 18081 2593 1 4 . 1 1 122 122 ILE N N 122 127.420 127.420 125.384 2.036 18081 2594 1 4 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.215 0.620 18081 2595 1 4 . 1 1 122 122 ILE C C 122 174.260 174.260 173.079 1.181 18081 2596 1 4 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.519 -0.443 18081 2597 1 4 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.793 -2.394 18081 2598 1 4 . 1 1 122 122 ILE H H 122 9.152 9.152 8.472 0.680 18081 2599 1 4 . 1 1 123 123 VAL N N 123 130.032 130.032 124.507 5.525 18081 2600 1 4 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.226 0.153 18081 2601 1 4 . 1 1 123 123 VAL C C 123 174.012 174.012 174.055 -0.043 18081 2602 1 4 . 1 1 123 123 VAL CA C 123 61.811 61.811 60.880 0.931 18081 2603 1 4 . 1 1 123 123 VAL CB C 123 33.280 33.280 34.852 -1.572 18081 2604 1 4 . 1 1 123 123 VAL H H 123 9.601 9.601 8.129 1.472 18081 2605 1 4 . 1 1 124 124 VAL N N 124 128.765 128.765 127.445 1.320 18081 2606 1 4 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.543 0.156 18081 2607 1 4 . 1 1 124 124 VAL C C 124 177.239 177.239 175.349 1.890 18081 2608 1 4 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.111 -0.546 18081 2609 1 4 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.568 -2.265 18081 2610 1 4 . 1 1 124 124 VAL H H 124 9.056 9.056 7.808 1.248 18081 2611 1 4 . 1 1 125 125 LYS N N 125 129.953 129.953 127.160 2.793 18081 2612 1 4 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.671 -0.330 18081 2613 1 4 . 1 1 125 125 LYS C C 125 175.317 175.317 175.633 -0.316 18081 2614 1 4 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.921 1.528 18081 2615 1 4 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.386 0.191 18081 2616 1 4 . 1 1 125 125 LYS H H 125 8.854 8.854 8.609 0.245 18081 2617 1 5 . 1 1 2 2 VAL N N 2 126.137 126.137 124.141 1.996 18081 2618 1 5 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.353 -0.327 18081 2619 1 5 . 1 1 2 2 VAL C C 2 176.484 176.484 174.612 1.872 18081 2620 1 5 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.361 0.207 18081 2621 1 5 . 1 1 2 2 VAL CB C 2 32.391 32.391 30.833 1.558 18081 2622 1 5 . 1 1 2 2 VAL H H 2 8.035 8.035 8.114 -0.079 18081 2623 1 5 . 1 1 3 3 ILE N N 3 124.059 124.059 121.435 2.624 18081 2624 1 5 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.760 -0.265 18081 2625 1 5 . 1 1 3 3 ILE C C 3 174.606 174.606 174.578 0.028 18081 2626 1 5 . 1 1 3 3 ILE CA C 3 58.385 58.385 59.108 -0.724 18081 2627 1 5 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.010 0.511 18081 2628 1 5 . 1 1 3 3 ILE H H 3 7.856 7.856 8.124 -0.268 18081 2629 1 5 . 1 1 4 4 PRO HA H 4 4.373 4.373 5.069 -0.696 18081 2630 1 5 . 1 1 4 4 PRO C C 4 176.585 176.585 175.812 0.773 18081 2631 1 5 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.581 0.609 18081 2632 1 5 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.974 -1.010 18081 2633 1 5 . 1 1 5 5 ALA N N 5 125.371 125.371 120.189 5.182 18081 2634 1 5 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.338 -0.051 18081 2635 1 5 . 1 1 5 5 ALA C C 5 178.454 178.454 176.760 1.694 18081 2636 1 5 . 1 1 5 5 ALA CA C 5 52.735 52.735 51.878 0.857 18081 2637 1 5 . 1 1 5 5 ALA CB C 5 19.043 19.043 20.273 -1.230 18081 2638 1 5 . 1 1 5 5 ALA H H 5 8.458 8.458 8.080 0.378 18081 2639 1 5 . 1 1 6 6 GLY N N 6 108.626 108.626 107.768 0.858 18081 2640 1 5 . 1 1 6 6 GLY C C 6 173.996 173.996 174.301 -0.305 18081 2641 1 5 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.882 -0.710 18081 2642 1 5 . 1 1 6 6 GLY H H 6 8.378 8.378 8.976 -0.598 18081 2643 1 5 . 1 1 7 7 LYS N N 7 121.320 121.320 120.321 0.999 18081 2644 1 5 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.470 -0.141 18081 2645 1 5 . 1 1 7 7 LYS C C 7 176.362 176.362 176.040 0.322 18081 2646 1 5 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.756 0.360 18081 2647 1 5 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.034 -1.050 18081 2648 1 5 . 1 1 7 7 LYS H H 7 7.976 7.976 8.038 -0.062 18081 2649 1 5 . 1 1 8 8 LEU N N 8 124.548 124.548 121.849 2.699 18081 2650 1 5 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.161 0.230 18081 2651 1 5 . 1 1 8 8 LEU C C 8 176.772 176.772 174.910 1.862 18081 2652 1 5 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.840 -0.658 18081 2653 1 5 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.319 0.156 18081 2654 1 5 . 1 1 8 8 LEU H H 8 8.283 8.283 8.291 -0.008 18081 2655 1 5 . 1 1 9 9 GLU N N 9 124.888 124.888 119.047 5.841 18081 2656 1 5 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.637 -0.247 18081 2657 1 5 . 1 1 9 9 GLU C C 9 174.919 174.919 175.610 -0.691 18081 2658 1 5 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.166 1.306 18081 2659 1 5 . 1 1 9 9 GLU CB C 9 30.611 30.611 31.620 -1.009 18081 2660 1 5 . 1 1 9 9 GLU H H 9 8.679 8.679 8.486 0.193 18081 2661 1 5 . 1 1 10 10 ARG N N 10 123.557 123.557 123.039 0.518 18081 2662 1 5 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.427 0.545 18081 2663 1 5 . 1 1 10 10 ARG C C 10 175.727 175.727 176.246 -0.519 18081 2664 1 5 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.695 -0.610 18081 2665 1 5 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.795 0.750 18081 2666 1 5 . 1 1 10 10 ARG H H 10 8.248 8.248 8.595 -0.347 18081 2667 1 5 . 1 1 11 11 VAL N N 11 118.077 118.077 113.804 4.273 18081 2668 1 5 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.376 0.004 18081 2669 1 5 . 1 1 11 11 VAL C C 11 173.297 173.297 173.335 -0.038 18081 2670 1 5 . 1 1 11 11 VAL CA C 11 59.586 59.586 60.460 -0.874 18081 2671 1 5 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.895 -0.132 18081 2672 1 5 . 1 1 11 11 VAL H H 11 8.039 8.039 7.831 0.208 18081 2673 1 5 . 1 1 12 12 ASP N N 12 123.786 123.786 123.559 0.227 18081 2674 1 5 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.097 -0.146 18081 2675 1 5 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.490 -0.891 18081 2676 1 5 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.297 -1.909 18081 2677 1 5 . 1 1 12 12 ASP H H 12 8.313 8.313 8.488 -0.175 18081 2678 1 5 . 1 1 13 13 PRO C C 13 177.705 177.705 176.779 0.926 18081 2679 1 5 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.154 0.585 18081 2680 1 5 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.633 -0.011 18081 2681 1 5 . 1 1 14 14 THR N N 14 109.188 109.188 113.028 -3.840 18081 2682 1 5 . 1 1 14 14 THR HA H 14 4.252 4.252 4.080 0.172 18081 2683 1 5 . 1 1 14 14 THR C C 14 176.733 176.733 175.663 1.070 18081 2684 1 5 . 1 1 14 14 THR CA C 14 63.996 63.996 65.035 -1.039 18081 2685 1 5 . 1 1 14 14 THR CB C 14 69.270 69.270 68.852 0.418 18081 2686 1 5 . 1 1 14 14 THR H H 14 8.413 8.413 8.109 0.304 18081 2687 1 5 . 1 1 15 15 THR N N 15 108.904 108.904 109.492 -0.588 18081 2688 1 5 . 1 1 15 15 THR HA H 15 4.733 4.733 4.479 0.254 18081 2689 1 5 . 1 1 15 15 THR C C 15 177.174 177.174 175.257 1.917 18081 2690 1 5 . 1 1 15 15 THR CA C 15 61.589 61.589 61.692 -0.103 18081 2691 1 5 . 1 1 15 15 THR CB C 15 70.654 70.654 69.482 1.172 18081 2692 1 5 . 1 1 15 15 THR H H 15 7.413 7.413 7.958 -0.545 18081 2693 1 5 . 1 1 16 16 VAL N N 16 122.387 122.387 123.502 -1.115 18081 2694 1 5 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.747 0.451 18081 2695 1 5 . 1 1 16 16 VAL C C 16 175.683 175.683 175.639 0.044 18081 2696 1 5 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.261 -0.809 18081 2697 1 5 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.945 -0.444 18081 2698 1 5 . 1 1 16 16 VAL H H 16 7.143 7.143 7.429 -0.286 18081 2699 1 5 . 1 1 17 17 ARG N N 17 115.917 115.917 114.482 1.435 18081 2700 1 5 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.356 -0.085 18081 2701 1 5 . 1 1 17 17 ARG C C 17 175.861 175.861 178.421 -2.560 18081 2702 1 5 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.990 -0.940 18081 2703 1 5 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.266 -0.240 18081 2704 1 5 . 1 1 17 17 ARG H H 17 8.227 8.227 8.274 -0.047 18081 2705 1 5 . 1 1 18 18 GLN N N 18 117.044 117.044 118.318 -1.274 18081 2706 1 5 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.245 0.154 18081 2707 1 5 . 1 1 18 18 GLN C C 18 175.506 175.506 175.784 -0.278 18081 2708 1 5 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.693 -0.554 18081 2709 1 5 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.274 1.534 18081 2710 1 5 . 1 1 18 18 GLN H H 18 7.765 7.765 8.060 -0.295 18081 2711 1 5 . 1 1 19 19 GLU N N 19 118.659 118.659 118.343 0.316 18081 2712 1 5 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.515 0.044 18081 2713 1 5 . 1 1 19 19 GLU C C 19 175.081 175.081 174.532 0.549 18081 2714 1 5 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.674 -0.492 18081 2715 1 5 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.067 0.324 18081 2716 1 5 . 1 1 19 19 GLU H H 19 8.070 8.070 8.257 -0.187 18081 2717 1 5 . 1 1 20 20 GLY N N 20 113.694 113.694 111.704 1.990 18081 2718 1 5 . 1 1 20 20 GLY C C 20 174.150 174.150 172.546 1.604 18081 2719 1 5 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.778 -0.230 18081 2720 1 5 . 1 1 20 20 GLY H H 20 8.933 8.933 8.270 0.663 18081 2721 1 5 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.210 -0.537 18081 2722 1 5 . 1 1 21 21 PRO C C 21 176.703 176.703 176.417 0.286 18081 2723 1 5 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.196 0.685 18081 2724 1 5 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.207 -1.171 18081 2725 1 5 . 1 1 22 22 TRP N N 22 117.898 117.898 115.620 2.278 18081 2726 1 5 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.634 -0.319 18081 2727 1 5 . 1 1 22 22 TRP C C 22 174.965 174.965 176.491 -1.526 18081 2728 1 5 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.747 2.774 18081 2729 1 5 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.771 0.500 18081 2730 1 5 . 1 1 22 22 TRP H H 22 8.759 8.759 8.051 0.708 18081 2731 1 5 . 1 1 23 23 ALA N N 23 120.887 120.887 121.924 -1.037 18081 2732 1 5 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.626 -0.702 18081 2733 1 5 . 1 1 23 23 ALA C C 23 177.520 177.520 178.307 -0.787 18081 2734 1 5 . 1 1 23 23 ALA CA C 23 54.781 54.781 52.844 1.937 18081 2735 1 5 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.887 -1.339 18081 2736 1 5 . 1 1 23 23 ALA H H 23 7.232 7.232 7.066 0.166 18081 2737 1 5 . 1 1 24 24 ASP N N 24 115.176 115.176 119.274 -4.098 18081 2738 1 5 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.012 0.174 18081 2739 1 5 . 1 1 24 24 ASP C C 24 176.860 176.860 176.270 0.590 18081 2740 1 5 . 1 1 24 24 ASP CA C 24 49.620 49.620 52.258 -2.638 18081 2741 1 5 . 1 1 24 24 ASP CB C 24 41.487 41.487 41.973 -0.486 18081 2742 1 5 . 1 1 24 24 ASP H H 24 7.718 7.718 7.531 0.187 18081 2743 1 5 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.325 -0.026 18081 2744 1 5 . 1 1 25 25 PRO C C 25 177.445 177.445 177.389 0.056 18081 2745 1 5 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.500 -0.019 18081 2746 1 5 . 1 1 25 25 PRO CB C 25 31.896 31.896 31.953 -0.057 18081 2747 1 5 . 1 1 26 26 ALA N N 26 120.150 120.150 118.933 1.217 18081 2748 1 5 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.163 0.142 18081 2749 1 5 . 1 1 26 26 ALA C C 26 179.061 179.061 178.005 1.056 18081 2750 1 5 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.073 0.774 18081 2751 1 5 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.415 -0.163 18081 2752 1 5 . 1 1 26 26 ALA H H 26 8.158 8.158 8.303 -0.145 18081 2753 1 5 . 1 1 27 27 GLN N N 27 117.617 117.617 117.069 0.548 18081 2754 1 5 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.347 0.348 18081 2755 1 5 . 1 1 27 27 GLN C C 27 175.309 175.309 175.737 -0.428 18081 2756 1 5 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.333 -1.075 18081 2757 1 5 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.280 0.452 18081 2758 1 5 . 1 1 27 27 GLN H H 27 7.732 7.732 7.439 0.293 18081 2759 1 5 . 1 1 28 28 ALA N N 28 122.069 122.069 122.669 -0.600 18081 2760 1 5 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.284 0.097 18081 2761 1 5 . 1 1 28 28 ALA C C 28 176.358 176.358 177.140 -0.782 18081 2762 1 5 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.449 1.133 18081 2763 1 5 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.308 1.613 18081 2764 1 5 . 1 1 28 28 ALA H H 28 6.996 6.996 7.405 -0.409 18081 2765 1 5 . 1 1 29 29 VAL N N 29 114.478 114.478 116.715 -2.237 18081 2766 1 5 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.884 -0.177 18081 2767 1 5 . 1 1 29 29 VAL C C 29 176.252 176.252 175.204 1.048 18081 2768 1 5 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.340 1.649 18081 2769 1 5 . 1 1 29 29 VAL CB C 29 31.600 31.600 33.971 -2.371 18081 2770 1 5 . 1 1 29 29 VAL H H 29 7.868 7.868 7.882 -0.014 18081 2771 1 5 . 1 1 30 30 VAL N N 30 129.718 129.718 122.640 7.078 18081 2772 1 5 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.654 -0.267 18081 2773 1 5 . 1 1 30 30 VAL C C 30 175.107 175.107 174.492 0.615 18081 2774 1 5 . 1 1 30 30 VAL CA C 30 60.743 60.743 59.043 1.700 18081 2775 1 5 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.638 -0.380 18081 2776 1 5 . 1 1 30 30 VAL H H 30 9.556 9.556 8.519 1.037 18081 2777 1 5 . 1 1 31 31 GLN N N 31 129.372 129.372 125.948 3.424 18081 2778 1 5 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.500 -0.359 18081 2779 1 5 . 1 1 31 31 GLN C C 31 176.413 176.413 175.594 0.819 18081 2780 1 5 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.331 0.719 18081 2781 1 5 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.845 -1.794 18081 2782 1 5 . 1 1 31 31 GLN H H 31 9.153 9.153 8.738 0.415 18081 2783 1 5 . 1 1 32 32 THR N N 32 119.775 119.775 120.635 -0.860 18081 2784 1 5 . 1 1 32 32 THR HA H 32 4.392 4.392 4.609 -0.217 18081 2785 1 5 . 1 1 32 32 THR C C 32 174.102 174.102 174.200 -0.098 18081 2786 1 5 . 1 1 32 32 THR CA C 32 61.678 61.678 61.423 0.255 18081 2787 1 5 . 1 1 32 32 THR CB C 32 68.775 68.775 69.686 -0.911 18081 2788 1 5 . 1 1 32 32 THR H H 32 8.266 8.266 8.207 0.059 18081 2789 1 5 . 1 1 33 33 GLY N N 33 111.761 111.761 109.656 2.105 18081 2790 1 5 . 1 1 33 33 GLY C C 33 170.586 170.586 172.689 -2.103 18081 2791 1 5 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.191 1.891 18081 2792 1 5 . 1 1 33 33 GLY H H 33 7.997 7.997 7.366 0.631 18081 2793 1 5 . 1 1 34 34 PRO C C 34 176.674 176.674 176.166 0.508 18081 2794 1 5 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.114 0.767 18081 2795 1 5 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.121 -0.760 18081 2796 1 5 . 1 1 35 35 ASN N N 35 117.681 117.681 113.942 3.739 18081 2797 1 5 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.800 0.054 18081 2798 1 5 . 1 1 35 35 ASN C C 35 173.262 173.262 172.889 0.373 18081 2799 1 5 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.062 -0.939 18081 2800 1 5 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.482 0.274 18081 2801 1 5 . 1 1 35 35 ASN H H 35 8.649 8.649 8.260 0.389 18081 2802 1 5 . 1 1 36 36 GLN N N 36 119.276 119.276 116.143 3.133 18081 2803 1 5 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.171 0.396 18081 2804 1 5 . 1 1 36 36 GLN C C 36 173.292 173.292 173.142 0.150 18081 2805 1 5 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.110 0.493 18081 2806 1 5 . 1 1 36 36 GLN CB C 36 33.874 33.874 32.824 1.050 18081 2807 1 5 . 1 1 36 36 GLN H H 36 6.953 6.953 6.844 0.109 18081 2808 1 5 . 1 1 37 37 TYR N N 37 125.339 125.339 117.941 7.398 18081 2809 1 5 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.121 -0.057 18081 2810 1 5 . 1 1 37 37 TYR C C 37 174.321 174.321 175.216 -0.895 18081 2811 1 5 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.373 0.099 18081 2812 1 5 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.230 -1.534 18081 2813 1 5 . 1 1 37 37 TYR H H 37 8.898 8.898 8.738 0.160 18081 2814 1 5 . 1 1 38 38 THR N N 38 121.935 121.935 120.757 1.178 18081 2815 1 5 . 1 1 38 38 THR HA H 38 5.098 5.098 4.483 0.615 18081 2816 1 5 . 1 1 38 38 THR C C 38 172.253 172.253 173.819 -1.566 18081 2817 1 5 . 1 1 38 38 THR CA C 38 61.589 61.589 62.151 -0.562 18081 2818 1 5 . 1 1 38 38 THR CB C 38 69.764 69.764 68.426 1.338 18081 2819 1 5 . 1 1 38 38 THR H H 38 9.592 9.592 9.049 0.543 18081 2820 1 5 . 1 1 39 39 VAL N N 39 126.189 126.189 127.520 -1.331 18081 2821 1 5 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.886 1.215 18081 2822 1 5 . 1 1 39 39 VAL C C 39 174.612 174.612 174.412 0.200 18081 2823 1 5 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.514 -1.883 18081 2824 1 5 . 1 1 39 39 VAL CB C 39 34.071 34.071 31.759 2.312 18081 2825 1 5 . 1 1 39 39 VAL H H 39 8.710 8.710 8.363 0.347 18081 2826 1 5 . 1 1 40 40 TYR N N 40 130.243 130.243 124.916 5.327 18081 2827 1 5 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.953 -0.312 18081 2828 1 5 . 1 1 40 40 TYR C C 40 174.840 174.840 175.510 -0.670 18081 2829 1 5 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.692 1.960 18081 2830 1 5 . 1 1 40 40 TYR CB C 40 36.840 36.840 40.211 -3.371 18081 2831 1 5 . 1 1 40 40 TYR H H 40 9.139 9.139 8.413 0.726 18081 2832 1 5 . 1 1 41 41 VAL N N 41 124.415 124.415 119.591 4.824 18081 2833 1 5 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.752 0.588 18081 2834 1 5 . 1 1 41 41 VAL C C 41 175.680 175.680 174.391 1.289 18081 2835 1 5 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.020 -0.766 18081 2836 1 5 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.706 0.156 18081 2837 1 5 . 1 1 41 41 VAL H H 41 8.686 8.686 9.166 -0.480 18081 2838 1 5 . 1 1 42 42 LEU N N 42 129.148 129.148 129.916 -0.768 18081 2839 1 5 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.002 0.144 18081 2840 1 5 . 1 1 42 42 LEU C C 42 175.161 175.161 175.159 0.002 18081 2841 1 5 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.631 -0.852 18081 2842 1 5 . 1 1 42 42 LEU CB C 42 45.639 45.639 44.761 0.878 18081 2843 1 5 . 1 1 42 42 LEU H H 42 9.694 9.694 8.803 0.891 18081 2844 1 5 . 1 1 43 43 ALA N N 43 130.434 130.434 128.446 1.988 18081 2845 1 5 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.426 0.296 18081 2846 1 5 . 1 1 43 43 ALA C C 43 173.292 173.292 174.806 -1.514 18081 2847 1 5 . 1 1 43 43 ALA CA C 43 50.154 50.154 52.045 -1.891 18081 2848 1 5 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.147 -1.017 18081 2849 1 5 . 1 1 43 43 ALA H H 43 8.679 8.679 7.912 0.767 18081 2850 1 5 . 1 1 44 44 PHE N N 44 118.472 118.472 117.071 1.401 18081 2851 1 5 . 1 1 44 44 PHE HA H 44 5.209 5.209 5.047 0.162 18081 2852 1 5 . 1 1 44 44 PHE C C 44 172.698 172.698 174.777 -2.079 18081 2853 1 5 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.267 -1.142 18081 2854 1 5 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.472 1.201 18081 2855 1 5 . 1 1 44 44 PHE H H 44 7.756 7.756 7.339 0.417 18081 2856 1 5 . 1 1 45 45 ALA N N 45 122.901 122.901 122.800 0.101 18081 2857 1 5 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.446 -1.033 18081 2858 1 5 . 1 1 45 45 ALA C C 45 177.267 177.267 177.285 -0.018 18081 2859 1 5 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.661 -6.378 18081 2860 1 5 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.929 -3.149 18081 2861 1 5 . 1 1 45 45 ALA H H 45 9.739 9.739 8.826 0.913 18081 2862 1 5 . 1 1 46 46 PHE N N 46 128.515 128.515 120.733 7.782 18081 2863 1 5 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.598 0.622 18081 2864 1 5 . 1 1 46 46 PHE C C 46 173.387 173.387 175.602 -2.215 18081 2865 1 5 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.757 3.274 18081 2866 1 5 . 1 1 46 46 PHE CB C 46 40.399 40.399 37.751 2.648 18081 2867 1 5 . 1 1 46 46 PHE H H 46 7.994 7.994 8.480 -0.486 18081 2868 1 5 . 1 1 47 47 GLY N N 47 113.741 113.741 111.863 1.878 18081 2869 1 5 . 1 1 47 47 GLY C C 47 167.774 167.774 172.406 -4.632 18081 2870 1 5 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.933 0.302 18081 2871 1 5 . 1 1 47 47 GLY H H 47 7.796 7.796 7.801 -0.005 18081 2872 1 5 . 1 1 48 48 TYR N N 48 119.637 119.637 118.498 1.139 18081 2873 1 5 . 1 1 48 48 TYR HA H 48 5.338 5.338 5.032 0.306 18081 2874 1 5 . 1 1 48 48 TYR C C 48 175.042 175.042 174.041 1.001 18081 2875 1 5 . 1 1 48 48 TYR CA C 48 56.294 56.294 56.132 0.162 18081 2876 1 5 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.138 1.824 18081 2877 1 5 . 1 1 48 48 TYR H H 48 8.370 8.370 8.277 0.093 18081 2878 1 5 . 1 1 49 49 GLN N N 49 121.776 121.776 121.323 0.453 18081 2879 1 5 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.651 0.166 18081 2880 1 5 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.219 -0.885 18081 2881 1 5 . 1 1 49 49 GLN CB C 49 33.874 33.874 30.278 3.596 18081 2882 1 5 . 1 1 49 49 GLN H H 49 9.163 9.163 8.328 0.835 18081 2883 1 5 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.606 0.136 18081 2884 1 5 . 1 1 50 50 PRO C C 50 174.271 174.271 175.768 -1.497 18081 2885 1 5 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.910 -0.120 18081 2886 1 5 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.467 2.198 18081 2887 1 5 . 1 1 51 51 ASN N N 51 113.755 113.755 117.373 -3.618 18081 2888 1 5 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.011 0.069 18081 2889 1 5 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.439 -0.440 18081 2890 1 5 . 1 1 51 51 ASN CB C 51 40.696 40.696 39.367 1.329 18081 2891 1 5 . 1 1 51 51 ASN H H 51 8.229 8.229 8.435 -0.206 18081 2892 1 5 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.469 0.802 18081 2893 1 5 . 1 1 52 52 PRO C C 52 176.525 176.525 175.198 1.327 18081 2894 1 5 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.828 0.763 18081 2895 1 5 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.811 3.096 18081 2896 1 5 . 1 1 53 53 ILE N N 53 120.452 120.452 122.552 -2.100 18081 2897 1 5 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.418 -0.352 18081 2898 1 5 . 1 1 53 53 ILE C C 53 174.236 174.236 175.138 -0.902 18081 2899 1 5 . 1 1 53 53 ILE CA C 53 61.500 61.500 58.943 2.557 18081 2900 1 5 . 1 1 53 53 ILE CB C 53 39.905 39.905 39.724 0.181 18081 2901 1 5 . 1 1 53 53 ILE H H 53 8.321 8.321 8.058 0.263 18081 2902 1 5 . 1 1 54 54 GLU N N 54 129.279 129.279 124.744 4.535 18081 2903 1 5 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.518 0.949 18081 2904 1 5 . 1 1 54 54 GLU C C 54 175.598 175.598 174.225 1.373 18081 2905 1 5 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.739 -0.735 18081 2906 1 5 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.164 -1.257 18081 2907 1 5 . 1 1 54 54 GLU H H 54 8.458 8.458 8.371 0.087 18081 2908 1 5 . 1 1 55 55 VAL N N 55 115.767 115.767 124.040 -8.273 18081 2909 1 5 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.570 0.086 18081 2910 1 5 . 1 1 55 55 VAL C C 55 172.453 172.453 173.176 -0.723 18081 2911 1 5 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.253 -1.514 18081 2912 1 5 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.918 -0.946 18081 2913 1 5 . 1 1 55 55 VAL H H 55 8.492 8.492 8.226 0.266 18081 2914 1 5 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.731 -0.064 18081 2915 1 5 . 1 1 56 56 PRO C C 56 177.445 177.445 176.912 0.533 18081 2916 1 5 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.361 -0.683 18081 2917 1 5 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.736 0.259 18081 2918 1 5 . 1 1 57 57 GLN N N 57 122.020 122.020 124.148 -2.128 18081 2919 1 5 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.102 -0.212 18081 2920 1 5 . 1 1 57 57 GLN C C 57 176.735 176.735 177.157 -0.422 18081 2921 1 5 . 1 1 57 57 GLN CA C 57 56.872 56.872 55.865 1.007 18081 2922 1 5 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.915 -1.073 18081 2923 1 5 . 1 1 57 57 GLN H H 57 8.466 8.466 8.061 0.405 18081 2924 1 5 . 1 1 58 58 GLY N N 58 112.805 112.805 109.339 3.466 18081 2925 1 5 . 1 1 58 58 GLY C C 58 172.686 172.686 173.384 -0.698 18081 2926 1 5 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.900 1.472 18081 2927 1 5 . 1 1 58 58 GLY H H 58 8.713 8.713 8.447 0.266 18081 2928 1 5 . 1 1 59 59 ALA N N 59 122.839 122.839 122.438 0.401 18081 2929 1 5 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.613 -0.062 18081 2930 1 5 . 1 1 59 59 ALA C C 59 176.659 176.659 175.257 1.402 18081 2931 1 5 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.950 -0.218 18081 2932 1 5 . 1 1 59 59 ALA CB C 59 20.724 20.724 22.011 -1.287 18081 2933 1 5 . 1 1 59 59 ALA H H 59 6.982 6.982 7.333 -0.351 18081 2934 1 5 . 1 1 60 60 GLU N N 60 123.390 123.390 119.123 4.267 18081 2935 1 5 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.318 -0.011 18081 2936 1 5 . 1 1 60 60 GLU C C 60 173.876 173.876 175.638 -1.762 18081 2937 1 5 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.876 -0.048 18081 2938 1 5 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.854 -0.540 18081 2939 1 5 . 1 1 60 60 GLU H H 60 8.260 8.260 8.285 -0.025 18081 2940 1 5 . 1 1 61 61 ILE N N 61 130.883 130.883 123.117 7.766 18081 2941 1 5 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.637 0.185 18081 2942 1 5 . 1 1 61 61 ILE C C 61 175.267 175.267 175.131 0.136 18081 2943 1 5 . 1 1 61 61 ILE CA C 61 57.423 57.423 59.263 -1.840 18081 2944 1 5 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.414 -3.662 18081 2945 1 5 . 1 1 61 61 ILE H H 61 9.103 9.103 8.443 0.660 18081 2946 1 5 . 1 1 62 62 VAL N N 62 127.879 127.879 127.638 0.241 18081 2947 1 5 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.792 -0.444 18081 2948 1 5 . 1 1 62 62 VAL C C 62 175.598 175.598 175.534 0.064 18081 2949 1 5 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.155 -0.412 18081 2950 1 5 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.738 -0.534 18081 2951 1 5 . 1 1 62 62 VAL H H 62 8.992 8.992 8.826 0.166 18081 2952 1 5 . 1 1 63 63 PHE N N 63 125.354 125.354 129.340 -3.986 18081 2953 1 5 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.569 0.424 18081 2954 1 5 . 1 1 63 63 PHE C C 63 175.507 175.507 174.845 0.662 18081 2955 1 5 . 1 1 63 63 PHE CA C 63 57.807 57.807 58.978 -1.171 18081 2956 1 5 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.733 -0.125 18081 2957 1 5 . 1 1 63 63 PHE H H 63 9.521 9.521 8.575 0.946 18081 2958 1 5 . 1 1 64 64 LYS N N 64 123.471 123.471 124.570 -1.099 18081 2959 1 5 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.018 0.075 18081 2960 1 5 . 1 1 64 64 LYS C C 64 175.877 175.877 175.452 0.425 18081 2961 1 5 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.446 -1.065 18081 2962 1 5 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.547 -0.478 18081 2963 1 5 . 1 1 64 64 LYS H H 64 8.977 8.977 8.879 0.098 18081 2964 1 5 . 1 1 65 65 ILE N N 65 125.792 125.792 125.735 0.057 18081 2965 1 5 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.162 0.641 18081 2966 1 5 . 1 1 65 65 ILE C C 65 175.724 175.724 175.216 0.508 18081 2967 1 5 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.462 -0.698 18081 2968 1 5 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.440 0.948 18081 2969 1 5 . 1 1 65 65 ILE H H 65 9.390 9.390 8.098 1.292 18081 2970 1 5 . 1 1 66 66 THR N N 66 119.455 119.455 117.990 1.465 18081 2971 1 5 . 1 1 66 66 THR HA H 66 4.583 4.583 4.507 0.076 18081 2972 1 5 . 1 1 66 66 THR C C 66 170.978 170.978 172.296 -1.318 18081 2973 1 5 . 1 1 66 66 THR CA C 66 61.233 61.233 61.274 -0.041 18081 2974 1 5 . 1 1 66 66 THR CB C 66 70.456 70.456 69.721 0.735 18081 2975 1 5 . 1 1 66 66 THR H H 66 8.176 8.176 7.860 0.316 18081 2976 1 5 . 1 1 67 67 SER N N 67 115.523 115.523 119.891 -4.368 18081 2977 1 5 . 1 1 67 67 SER HA H 67 6.316 6.316 5.122 1.194 18081 2978 1 5 . 1 1 67 67 SER C C 67 174.516 174.516 172.594 1.922 18081 2979 1 5 . 1 1 67 67 SER CA C 67 51.222 51.222 56.166 -4.944 18081 2980 1 5 . 1 1 67 67 SER CB C 67 66.501 66.501 65.689 0.812 18081 2981 1 5 . 1 1 67 67 SER H H 67 7.190 7.190 8.570 -1.380 18081 2982 1 5 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.293 0.535 18081 2983 1 5 . 1 1 68 68 PRO C C 68 174.360 174.360 175.642 -1.282 18081 2984 1 5 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.845 -2.277 18081 2985 1 5 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.915 0.574 18081 2986 1 5 . 1 1 69 69 ASP N N 69 120.505 120.505 117.303 3.202 18081 2987 1 5 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.880 -0.132 18081 2988 1 5 . 1 1 69 69 ASP C C 69 173.775 173.775 174.472 -0.697 18081 2989 1 5 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.264 1.185 18081 2990 1 5 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.075 -0.094 18081 2991 1 5 . 1 1 69 69 ASP H H 69 8.594 8.594 8.204 0.390 18081 2992 1 5 . 1 1 70 70 VAL N N 70 120.074 120.074 115.482 4.592 18081 2993 1 5 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.320 0.254 18081 2994 1 5 . 1 1 70 70 VAL C C 70 174.866 174.866 174.075 0.791 18081 2995 1 5 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.750 -1.519 18081 2996 1 5 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.022 0.038 18081 2997 1 5 . 1 1 70 70 VAL H H 70 10.855 10.855 7.636 3.219 18081 2998 1 5 . 1 1 71 71 ILE N N 71 121.272 121.272 123.971 -2.699 18081 2999 1 5 . 1 1 71 71 ILE HA H 71 4.438 4.438 3.851 0.587 18081 3000 1 5 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.928 1.506 18081 3001 1 5 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.167 1.354 18081 3002 1 5 . 1 1 71 71 ILE H H 71 7.670 7.670 8.562 -0.892 18081 3003 1 5 . 1 1 73 73 GLY C C 73 172.580 172.580 172.090 0.490 18081 3004 1 5 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.404 -0.990 18081 3005 1 5 . 1 1 74 74 PHE N N 74 123.714 123.714 118.775 4.939 18081 3006 1 5 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.020 -0.735 18081 3007 1 5 . 1 1 74 74 PHE C C 74 171.502 171.502 174.451 -2.949 18081 3008 1 5 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.073 3.624 18081 3009 1 5 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.153 -0.358 18081 3010 1 5 . 1 1 74 74 PHE H H 74 8.712 8.712 7.230 1.482 18081 3011 1 5 . 1 1 75 75 HIS N N 75 124.835 124.835 119.438 5.397 18081 3012 1 5 . 1 1 75 75 HIS HA H 75 5.458 5.458 5.009 0.449 18081 3013 1 5 . 1 1 75 75 HIS C C 75 172.817 172.817 174.542 -1.725 18081 3014 1 5 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.187 -1.764 18081 3015 1 5 . 1 1 75 75 HIS CB C 75 29.523 29.523 29.223 0.301 18081 3016 1 5 . 1 1 75 75 HIS H H 75 7.786 7.786 8.616 -0.830 18081 3017 1 5 . 1 1 76 76 VAL N N 76 124.569 124.569 124.411 0.158 18081 3018 1 5 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.892 0.401 18081 3019 1 5 . 1 1 76 76 VAL C C 76 175.843 175.843 176.440 -0.597 18081 3020 1 5 . 1 1 76 76 VAL CA C 76 60.699 60.699 61.415 -0.716 18081 3021 1 5 . 1 1 76 76 VAL CB C 76 30.368 30.368 32.404 -2.035 18081 3022 1 5 . 1 1 76 76 VAL H H 76 6.558 6.558 8.041 -1.483 18081 3023 1 5 . 1 1 77 77 GLU N N 77 132.091 132.091 124.866 7.225 18081 3024 1 5 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.167 -0.278 18081 3025 1 5 . 1 1 77 77 GLU C C 77 176.941 176.941 178.071 -1.130 18081 3026 1 5 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.598 2.099 18081 3027 1 5 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.196 0.019 18081 3028 1 5 . 1 1 77 77 GLU H H 77 8.977 8.977 8.000 0.977 18081 3029 1 5 . 1 1 78 78 GLY N N 78 111.143 111.143 107.595 3.548 18081 3030 1 5 . 1 1 78 78 GLY C C 78 174.152 174.152 174.243 -0.091 18081 3031 1 5 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.885 -0.625 18081 3032 1 5 . 1 1 78 78 GLY H H 78 8.052 8.052 8.872 -0.820 18081 3033 1 5 . 1 1 79 79 THR N N 79 109.705 109.705 115.686 -5.981 18081 3034 1 5 . 1 1 79 79 THR HA H 79 4.949 4.949 4.528 0.421 18081 3035 1 5 . 1 1 79 79 THR C C 79 173.397 173.397 173.685 -0.288 18081 3036 1 5 . 1 1 79 79 THR CA C 79 60.076 60.076 60.480 -0.404 18081 3037 1 5 . 1 1 79 79 THR CB C 79 72.829 72.829 71.134 1.695 18081 3038 1 5 . 1 1 79 79 THR H H 79 7.810 7.810 7.701 0.109 18081 3039 1 5 . 1 1 80 80 ASN N N 80 116.427 116.427 120.585 -4.158 18081 3040 1 5 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.807 0.113 18081 3041 1 5 . 1 1 80 80 ASN C C 80 175.665 175.665 174.228 1.437 18081 3042 1 5 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.109 -1.086 18081 3043 1 5 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.728 -0.196 18081 3044 1 5 . 1 1 80 80 ASN H H 80 7.856 7.856 8.758 -0.902 18081 3045 1 5 . 1 1 81 81 ILE N N 81 121.552 121.552 123.142 -1.590 18081 3046 1 5 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.036 -0.239 18081 3047 1 5 . 1 1 81 81 ILE C C 81 176.564 176.564 173.983 2.581 18081 3048 1 5 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.395 1.127 18081 3049 1 5 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.175 -0.074 18081 3050 1 5 . 1 1 81 81 ILE H H 81 8.493 8.493 7.504 0.989 18081 3051 1 5 . 1 1 82 82 ASN N N 82 131.507 131.507 127.318 4.189 18081 3052 1 5 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.975 0.176 18081 3053 1 5 . 1 1 82 82 ASN C C 82 173.025 173.025 174.374 -1.349 18081 3054 1 5 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.638 2.629 18081 3055 1 5 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.893 -0.087 18081 3056 1 5 . 1 1 82 82 ASN H H 82 8.911 8.911 8.147 0.764 18081 3057 1 5 . 1 1 83 83 VAL N N 83 120.866 120.866 118.866 2.000 18081 3058 1 5 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.403 0.262 18081 3059 1 5 . 1 1 83 83 VAL C C 83 173.954 173.954 174.114 -0.160 18081 3060 1 5 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.605 -1.485 18081 3061 1 5 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.714 1.939 18081 3062 1 5 . 1 1 83 83 VAL H H 83 8.356 8.356 8.288 0.068 18081 3063 1 5 . 1 1 84 84 GLU N N 84 125.997 125.997 123.917 2.080 18081 3064 1 5 . 1 1 84 84 GLU HA H 84 4.587 4.587 5.027 -0.440 18081 3065 1 5 . 1 1 84 84 GLU C C 84 174.600 174.600 175.123 -0.523 18081 3066 1 5 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.399 0.628 18081 3067 1 5 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.433 -0.624 18081 3068 1 5 . 1 1 84 84 GLU H H 84 8.534 8.534 8.179 0.355 18081 3069 1 5 . 1 1 85 85 VAL N N 85 125.888 125.888 122.596 3.292 18081 3070 1 5 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.344 -0.295 18081 3071 1 5 . 1 1 85 85 VAL C C 85 173.256 173.256 174.459 -1.203 18081 3072 1 5 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.721 0.796 18081 3073 1 5 . 1 1 85 85 VAL CB C 85 32.786 32.786 35.519 -2.733 18081 3074 1 5 . 1 1 85 85 VAL H H 85 8.782 8.782 7.821 0.961 18081 3075 1 5 . 1 1 86 86 LEU N N 86 128.745 128.745 125.813 2.932 18081 3076 1 5 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.212 0.589 18081 3077 1 5 . 1 1 86 86 LEU CA C 86 51.934 51.934 54.180 -2.246 18081 3078 1 5 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.330 1.080 18081 3079 1 5 . 1 1 86 86 LEU H H 86 9.131 9.131 8.448 0.683 18081 3080 1 5 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.423 0.241 18081 3081 1 5 . 1 1 87 87 PRO C C 87 178.454 178.454 177.381 1.073 18081 3082 1 5 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.044 -0.432 18081 3083 1 5 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.339 -1.134 18081 3084 1 5 . 1 1 88 88 GLY N N 88 112.804 112.804 108.594 4.210 18081 3085 1 5 . 1 1 88 88 GLY C C 88 173.451 173.451 173.199 0.252 18081 3086 1 5 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.120 -0.038 18081 3087 1 5 . 1 1 88 88 GLY H H 88 9.103 9.103 8.591 0.512 18081 3088 1 5 . 1 1 89 89 GLU N N 89 118.355 118.355 115.563 2.792 18081 3089 1 5 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.747 0.353 18081 3090 1 5 . 1 1 89 89 GLU C C 89 176.719 176.719 174.509 2.210 18081 3091 1 5 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.055 0.192 18081 3092 1 5 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.224 -0.361 18081 3093 1 5 . 1 1 89 89 GLU H H 89 7.764 7.764 7.457 0.307 18081 3094 1 5 . 1 1 90 90 VAL N N 90 127.142 127.142 120.615 6.527 18081 3095 1 5 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.154 -0.654 18081 3096 1 5 . 1 1 90 90 VAL C C 90 176.838 176.838 176.673 0.165 18081 3097 1 5 . 1 1 90 90 VAL CA C 90 61.856 61.856 60.388 1.468 18081 3098 1 5 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.349 -0.211 18081 3099 1 5 . 1 1 90 90 VAL H H 90 8.830 8.830 8.319 0.511 18081 3100 1 5 . 1 1 91 91 SER N N 91 127.859 127.859 121.361 6.498 18081 3101 1 5 . 1 1 91 91 SER HA H 91 4.924 4.924 4.764 0.160 18081 3102 1 5 . 1 1 91 91 SER C C 91 173.015 173.015 174.117 -1.102 18081 3103 1 5 . 1 1 91 91 SER CA C 91 58.118 58.118 56.944 1.174 18081 3104 1 5 . 1 1 91 91 SER CB C 91 63.931 63.931 63.936 -0.005 18081 3105 1 5 . 1 1 91 91 SER H H 91 9.710 9.710 8.481 1.229 18081 3106 1 5 . 1 1 92 92 THR N N 92 122.627 122.627 120.878 1.749 18081 3107 1 5 . 1 1 92 92 THR HA H 92 5.682 5.682 5.286 0.396 18081 3108 1 5 . 1 1 92 92 THR C C 92 174.480 174.480 174.243 0.237 18081 3109 1 5 . 1 1 92 92 THR CA C 92 61.856 61.856 62.764 -0.908 18081 3110 1 5 . 1 1 92 92 THR CB C 92 70.160 70.160 70.114 0.046 18081 3111 1 5 . 1 1 92 92 THR H H 92 8.864 8.864 8.569 0.295 18081 3112 1 5 . 1 1 93 93 VAL N N 93 126.698 126.698 125.735 0.963 18081 3113 1 5 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.547 -0.040 18081 3114 1 5 . 1 1 93 93 VAL C C 93 173.002 173.002 173.931 -0.929 18081 3115 1 5 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.791 -0.137 18081 3116 1 5 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.165 0.488 18081 3117 1 5 . 1 1 93 93 VAL H H 93 8.806 8.806 8.494 0.312 18081 3118 1 5 . 1 1 94 94 ARG N N 94 126.396 126.396 126.056 0.340 18081 3119 1 5 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.458 0.432 18081 3120 1 5 . 1 1 94 94 ARG C C 94 175.885 175.885 175.487 0.398 18081 3121 1 5 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.912 -0.531 18081 3122 1 5 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.741 1.847 18081 3123 1 5 . 1 1 94 94 ARG H H 94 8.630 8.630 8.523 0.107 18081 3124 1 5 . 1 1 95 95 TYR N N 95 126.390 126.390 126.476 -0.086 18081 3125 1 5 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.768 -0.448 18081 3126 1 5 . 1 1 95 95 TYR C C 95 172.683 172.683 173.897 -1.214 18081 3127 1 5 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.484 1.101 18081 3128 1 5 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.232 3.221 18081 3129 1 5 . 1 1 95 95 TYR H H 95 9.623 9.623 8.244 1.379 18081 3130 1 5 . 1 1 96 96 THR N N 96 121.396 121.396 120.941 0.455 18081 3131 1 5 . 1 1 96 96 THR HA H 96 4.684 4.684 4.689 -0.005 18081 3132 1 5 . 1 1 96 96 THR C C 96 172.729 172.729 173.417 -0.688 18081 3133 1 5 . 1 1 96 96 THR CA C 96 61.322 61.322 60.458 0.864 18081 3134 1 5 . 1 1 96 96 THR CB C 96 70.160 70.160 70.136 0.024 18081 3135 1 5 . 1 1 96 96 THR H H 96 6.742 6.742 7.839 -1.097 18081 3136 1 5 . 1 1 97 97 PHE N N 97 126.539 126.539 128.304 -1.765 18081 3137 1 5 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.548 -0.095 18081 3138 1 5 . 1 1 97 97 PHE C C 97 176.075 176.075 176.029 0.046 18081 3139 1 5 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.932 0.275 18081 3140 1 5 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.076 -1.168 18081 3141 1 5 . 1 1 97 97 PHE H H 97 8.933 8.933 8.789 0.144 18081 3142 1 5 . 1 1 98 98 LYS N N 98 123.417 123.417 119.154 4.263 18081 3143 1 5 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.363 0.030 18081 3144 1 5 . 1 1 98 98 LYS C C 98 175.939 175.939 175.984 -0.045 18081 3145 1 5 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.480 0.303 18081 3146 1 5 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.761 -0.777 18081 3147 1 5 . 1 1 98 98 LYS H H 98 8.604 8.604 8.618 -0.014 18081 3148 1 5 . 1 1 99 99 ARG N N 99 118.424 118.424 119.471 -1.047 18081 3149 1 5 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.737 0.283 18081 3150 1 5 . 1 1 99 99 ARG C C 99 174.332 174.332 173.598 0.734 18081 3151 1 5 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.880 -1.279 18081 3152 1 5 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.931 -0.331 18081 3153 1 5 . 1 1 99 99 ARG H H 99 7.801 7.801 8.000 -0.199 18081 3154 1 5 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.359 0.024 18081 3155 1 5 . 1 1 100 100 PRO C C 100 175.190 175.190 176.603 -1.413 18081 3156 1 5 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.633 -0.065 18081 3157 1 5 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.250 0.338 18081 3158 1 5 . 1 1 101 101 GLY N N 101 108.626 108.626 108.457 0.169 18081 3159 1 5 . 1 1 101 101 GLY C C 101 171.375 171.375 171.857 -0.482 18081 3160 1 5 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.922 -0.819 18081 3161 1 5 . 1 1 101 101 GLY H H 101 8.685 8.685 7.615 1.070 18081 3162 1 5 . 1 1 102 102 GLU N N 102 119.327 119.327 121.819 -2.492 18081 3163 1 5 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.702 0.449 18081 3164 1 5 . 1 1 102 102 GLU C C 102 176.066 176.066 175.369 0.697 18081 3165 1 5 . 1 1 102 102 GLU CA C 102 55.404 55.404 54.977 0.427 18081 3166 1 5 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.790 -0.586 18081 3167 1 5 . 1 1 102 102 GLU H H 102 8.144 8.144 8.410 -0.266 18081 3168 1 5 . 1 1 103 103 TYR N N 103 125.807 125.807 120.400 5.407 18081 3169 1 5 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.862 -0.216 18081 3170 1 5 . 1 1 103 103 TYR C C 103 174.711 174.711 173.822 0.889 18081 3171 1 5 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.180 0.158 18081 3172 1 5 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.853 -0.664 18081 3173 1 5 . 1 1 103 103 TYR H H 103 9.687 9.687 8.745 0.942 18081 3174 1 5 . 1 1 104 104 ARG N N 104 124.463 124.463 122.667 1.796 18081 3175 1 5 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.119 -0.492 18081 3176 1 5 . 1 1 104 104 ARG C C 104 174.570 174.570 174.459 0.111 18081 3177 1 5 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.252 1.514 18081 3178 1 5 . 1 1 104 104 ARG CB C 104 31.698 31.698 31.715 -0.017 18081 3179 1 5 . 1 1 104 104 ARG H H 104 8.902 8.902 8.642 0.260 18081 3180 1 5 . 1 1 105 105 ILE N N 105 124.589 124.589 125.022 -0.433 18081 3181 1 5 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.636 -0.267 18081 3182 1 5 . 1 1 105 105 ILE C C 105 175.576 175.576 173.315 2.261 18081 3183 1 5 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.393 -1.458 18081 3184 1 5 . 1 1 105 105 ILE CB C 105 39.811 39.811 41.685 -1.874 18081 3185 1 5 . 1 1 105 105 ILE H H 105 8.289 8.289 8.332 -0.043 18081 3186 1 5 . 1 1 106 106 ILE N N 106 121.777 121.777 127.705 -5.928 18081 3187 1 5 . 1 1 106 106 ILE HA H 106 5.038 5.038 5.443 -0.405 18081 3188 1 5 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.034 -0.811 18081 3189 1 5 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.611 2.864 18081 3190 1 5 . 1 1 106 106 ILE H H 106 8.765 8.765 8.532 0.233 18081 3191 1 5 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.408 -0.286 18081 3192 1 5 . 1 1 109 109 GLN C C 109 175.724 175.724 176.003 -0.279 18081 3193 1 5 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.167 0.305 18081 3194 1 5 . 1 1 109 109 GLN CB C 109 29.128 29.128 29.415 -0.287 18081 3195 1 5 . 1 1 110 110 TYR N N 110 120.856 120.856 119.117 1.739 18081 3196 1 5 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.127 0.362 18081 3197 1 5 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.219 -1.234 18081 3198 1 5 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.056 -0.129 18081 3199 1 5 . 1 1 110 110 TYR H H 110 8.191 8.191 8.240 -0.049 18081 3200 1 5 . 1 1 111 111 CYS N N 111 120.561 120.561 118.350 2.211 18081 3201 1 5 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.007 0.376 18081 3202 1 5 . 1 1 111 111 CYS C C 111 174.692 174.692 174.885 -0.193 18081 3203 1 5 . 1 1 111 111 CYS CA C 111 58.617 58.617 60.263 -1.646 18081 3204 1 5 . 1 1 111 111 CYS CB C 111 27.976 27.976 26.850 1.126 18081 3205 1 5 . 1 1 111 111 CYS H H 111 8.166 8.166 8.695 -0.529 18081 3206 1 5 . 1 1 112 112 GLY N N 112 111.467 111.467 107.262 4.205 18081 3207 1 5 . 1 1 112 112 GLY C C 112 173.900 173.900 174.302 -0.402 18081 3208 1 5 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.266 -0.121 18081 3209 1 5 . 1 1 112 112 GLY H H 112 8.239 8.239 8.162 0.077 18081 3210 1 5 . 1 1 113 113 LEU N N 113 122.150 122.150 120.418 1.732 18081 3211 1 5 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.212 0.112 18081 3212 1 5 . 1 1 113 113 LEU C C 113 178.068 178.068 177.998 0.070 18081 3213 1 5 . 1 1 113 113 LEU CA C 113 55.718 55.718 57.007 -1.289 18081 3214 1 5 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.307 -0.228 18081 3215 1 5 . 1 1 113 113 LEU H H 113 8.179 8.179 7.626 0.553 18081 3216 1 5 . 1 1 114 114 GLY N N 114 109.278 109.278 103.685 5.593 18081 3217 1 5 . 1 1 114 114 GLY C C 114 174.142 174.142 173.894 0.248 18081 3218 1 5 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.181 0.168 18081 3219 1 5 . 1 1 114 114 GLY H H 114 8.393 8.393 8.473 -0.080 18081 3220 1 5 . 1 1 117 117 ASN N N 117 120.387 120.387 117.328 3.059 18081 3221 1 5 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.632 0.046 18081 3222 1 5 . 1 1 117 117 ASN C C 117 174.422 174.422 175.382 -0.960 18081 3223 1 5 . 1 1 117 117 ASN CA C 117 53.179 53.179 52.984 0.195 18081 3224 1 5 . 1 1 117 117 ASN CB C 117 39.015 39.015 39.003 0.012 18081 3225 1 5 . 1 1 117 117 ASN H H 117 8.522 8.522 8.031 0.491 18081 3226 1 5 . 1 1 118 118 MET N N 118 120.526 120.526 117.804 2.722 18081 3227 1 5 . 1 1 118 118 MET C C 118 173.321 173.321 175.470 -2.149 18081 3228 1 5 . 1 1 118 118 MET CA C 118 55.360 55.360 56.005 -0.645 18081 3229 1 5 . 1 1 118 118 MET CB C 118 34.467 34.467 33.568 0.899 18081 3230 1 5 . 1 1 118 118 MET H H 118 7.981 7.981 8.400 -0.419 18081 3231 1 5 . 1 1 119 119 PHE N N 119 119.704 119.704 117.140 2.564 18081 3232 1 5 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.711 1.111 18081 3233 1 5 . 1 1 119 119 PHE C C 119 174.894 174.894 176.683 -1.789 18081 3234 1 5 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.227 -1.111 18081 3235 1 5 . 1 1 119 119 PHE CB C 119 42.377 42.377 40.858 1.519 18081 3236 1 5 . 1 1 119 119 PHE H H 119 8.068 8.068 8.720 -0.652 18081 3237 1 5 . 1 1 120 120 GLY N N 120 109.869 109.869 110.862 -0.993 18081 3238 1 5 . 1 1 120 120 GLY C C 120 172.817 172.817 174.149 -1.332 18081 3239 1 5 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.914 -0.634 18081 3240 1 5 . 1 1 120 120 GLY H H 120 8.984 8.984 8.798 0.186 18081 3241 1 5 . 1 1 121 121 THR N N 121 115.820 115.820 118.954 -3.134 18081 3242 1 5 . 1 1 121 121 THR HA H 121 5.068 5.068 4.528 0.540 18081 3243 1 5 . 1 1 121 121 THR C C 121 173.062 173.062 173.721 -0.659 18081 3244 1 5 . 1 1 121 121 THR CA C 121 62.745 62.745 62.670 0.075 18081 3245 1 5 . 1 1 121 121 THR CB C 121 72.533 72.533 69.985 2.548 18081 3246 1 5 . 1 1 121 121 THR H H 121 8.123 8.123 8.149 -0.026 18081 3247 1 5 . 1 1 122 122 ILE N N 122 127.420 127.420 127.479 -0.059 18081 3248 1 5 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.145 0.690 18081 3249 1 5 . 1 1 122 122 ILE C C 122 174.260 174.260 172.780 1.480 18081 3250 1 5 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.410 -0.334 18081 3251 1 5 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.655 -2.256 18081 3252 1 5 . 1 1 122 122 ILE H H 122 9.152 9.152 8.593 0.559 18081 3253 1 5 . 1 1 123 123 VAL N N 123 130.032 130.032 125.571 4.461 18081 3254 1 5 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.183 0.196 18081 3255 1 5 . 1 1 123 123 VAL C C 123 174.012 174.012 173.420 0.592 18081 3256 1 5 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.736 2.075 18081 3257 1 5 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.299 -2.019 18081 3258 1 5 . 1 1 123 123 VAL H H 123 9.601 9.601 8.187 1.414 18081 3259 1 5 . 1 1 124 124 VAL N N 124 128.765 128.765 127.642 1.123 18081 3260 1 5 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.429 0.270 18081 3261 1 5 . 1 1 124 124 VAL C C 124 177.239 177.239 175.189 2.050 18081 3262 1 5 . 1 1 124 124 VAL CA C 124 60.565 60.565 60.559 0.006 18081 3263 1 5 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.644 -2.341 18081 3264 1 5 . 1 1 124 124 VAL H H 124 9.056 9.056 7.988 1.068 18081 3265 1 5 . 1 1 125 125 LYS N N 125 129.953 129.953 126.214 3.739 18081 3266 1 5 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.650 -0.309 18081 3267 1 5 . 1 1 125 125 LYS C C 125 175.317 175.317 175.712 -0.395 18081 3268 1 5 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.901 1.548 18081 3269 1 5 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.568 0.009 18081 3270 1 5 . 1 1 125 125 LYS H H 125 8.854 8.854 8.508 0.346 18081 3271 1 6 . 1 1 2 2 VAL N N 2 126.137 126.137 120.050 6.087 18081 3272 1 6 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.454 -0.428 18081 3273 1 6 . 1 1 2 2 VAL C C 2 176.484 176.484 174.415 2.069 18081 3274 1 6 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.167 0.401 18081 3275 1 6 . 1 1 2 2 VAL CB C 2 32.391 32.391 30.854 1.538 18081 3276 1 6 . 1 1 2 2 VAL H H 2 8.035 8.035 8.000 0.035 18081 3277 1 6 . 1 1 3 3 ILE N N 3 124.059 124.059 119.772 4.287 18081 3278 1 6 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.726 -0.231 18081 3279 1 6 . 1 1 3 3 ILE C C 3 174.606 174.606 174.878 -0.272 18081 3280 1 6 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.925 -0.540 18081 3281 1 6 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.390 1.131 18081 3282 1 6 . 1 1 3 3 ILE H H 3 7.856 7.856 7.952 -0.096 18081 3283 1 6 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.437 -0.064 18081 3284 1 6 . 1 1 4 4 PRO C C 4 176.585 176.585 175.667 0.918 18081 3285 1 6 . 1 1 4 4 PRO CA C 4 63.190 63.190 63.028 0.162 18081 3286 1 6 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.470 -0.506 18081 3287 1 6 . 1 1 5 5 ALA N N 5 125.371 125.371 123.471 1.900 18081 3288 1 6 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.511 -0.224 18081 3289 1 6 . 1 1 5 5 ALA C C 5 178.454 178.454 176.804 1.650 18081 3290 1 6 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.780 -0.045 18081 3291 1 6 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.370 -0.327 18081 3292 1 6 . 1 1 5 5 ALA H H 5 8.458 8.458 8.274 0.184 18081 3293 1 6 . 1 1 6 6 GLY N N 6 108.626 108.626 109.604 -0.978 18081 3294 1 6 . 1 1 6 6 GLY C C 6 173.996 173.996 173.510 0.486 18081 3295 1 6 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.454 -0.283 18081 3296 1 6 . 1 1 6 6 GLY H H 6 8.378 8.378 8.295 0.083 18081 3297 1 6 . 1 1 7 7 LYS N N 7 121.320 121.320 119.785 1.535 18081 3298 1 6 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.471 -0.142 18081 3299 1 6 . 1 1 7 7 LYS C C 7 176.362 176.362 175.367 0.995 18081 3300 1 6 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.707 0.409 18081 3301 1 6 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.782 -0.798 18081 3302 1 6 . 1 1 7 7 LYS H H 7 7.976 7.976 8.193 -0.217 18081 3303 1 6 . 1 1 8 8 LEU N N 8 124.548 124.548 119.486 5.062 18081 3304 1 6 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.282 0.109 18081 3305 1 6 . 1 1 8 8 LEU C C 8 176.772 176.772 175.221 1.551 18081 3306 1 6 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.533 -0.351 18081 3307 1 6 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.344 0.131 18081 3308 1 6 . 1 1 8 8 LEU H H 8 8.283 8.283 8.420 -0.137 18081 3309 1 6 . 1 1 9 9 GLU N N 9 124.888 124.888 119.537 5.351 18081 3310 1 6 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.624 -0.234 18081 3311 1 6 . 1 1 9 9 GLU C C 9 174.919 174.919 175.231 -0.312 18081 3312 1 6 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.945 1.527 18081 3313 1 6 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.222 -1.611 18081 3314 1 6 . 1 1 9 9 GLU H H 9 8.679 8.679 8.537 0.142 18081 3315 1 6 . 1 1 10 10 ARG N N 10 123.557 123.557 122.991 0.566 18081 3316 1 6 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.480 0.492 18081 3317 1 6 . 1 1 10 10 ARG C C 10 175.727 175.727 176.237 -0.510 18081 3318 1 6 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.892 -0.807 18081 3319 1 6 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.018 1.527 18081 3320 1 6 . 1 1 10 10 ARG H H 10 8.248 8.248 8.553 -0.305 18081 3321 1 6 . 1 1 11 11 VAL N N 11 118.077 118.077 120.232 -2.155 18081 3322 1 6 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.374 0.006 18081 3323 1 6 . 1 1 11 11 VAL C C 11 173.297 173.297 174.551 -1.254 18081 3324 1 6 . 1 1 11 11 VAL CA C 11 59.586 59.586 60.129 -0.543 18081 3325 1 6 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.314 0.449 18081 3326 1 6 . 1 1 11 11 VAL H H 11 8.039 8.039 7.869 0.170 18081 3327 1 6 . 1 1 12 12 ASP N N 12 123.786 123.786 116.875 6.911 18081 3328 1 6 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.978 -0.027 18081 3329 1 6 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.906 -1.307 18081 3330 1 6 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.769 -2.381 18081 3331 1 6 . 1 1 12 12 ASP H H 12 8.313 8.313 8.176 0.137 18081 3332 1 6 . 1 1 13 13 PRO C C 13 177.705 177.705 177.325 0.380 18081 3333 1 6 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.053 0.686 18081 3334 1 6 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.892 -0.270 18081 3335 1 6 . 1 1 14 14 THR N N 14 109.188 109.188 115.891 -6.703 18081 3336 1 6 . 1 1 14 14 THR HA H 14 4.252 4.252 4.074 0.178 18081 3337 1 6 . 1 1 14 14 THR C C 14 176.733 176.733 175.410 1.323 18081 3338 1 6 . 1 1 14 14 THR CA C 14 63.996 63.996 65.298 -1.302 18081 3339 1 6 . 1 1 14 14 THR CB C 14 69.270 69.270 68.740 0.530 18081 3340 1 6 . 1 1 14 14 THR H H 14 8.413 8.413 8.188 0.225 18081 3341 1 6 . 1 1 15 15 THR N N 15 108.904 108.904 111.379 -2.475 18081 3342 1 6 . 1 1 15 15 THR HA H 15 4.733 4.733 4.467 0.266 18081 3343 1 6 . 1 1 15 15 THR C C 15 177.174 177.174 174.287 2.887 18081 3344 1 6 . 1 1 15 15 THR CA C 15 61.589 61.589 61.461 0.128 18081 3345 1 6 . 1 1 15 15 THR CB C 15 70.654 70.654 68.887 1.767 18081 3346 1 6 . 1 1 15 15 THR H H 15 7.413 7.413 7.962 -0.549 18081 3347 1 6 . 1 1 16 16 VAL N N 16 122.387 122.387 123.484 -1.097 18081 3348 1 6 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.895 0.303 18081 3349 1 6 . 1 1 16 16 VAL C C 16 175.683 175.683 175.211 0.472 18081 3350 1 6 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.867 -0.414 18081 3351 1 6 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.221 -0.720 18081 3352 1 6 . 1 1 16 16 VAL H H 16 7.143 7.143 7.295 -0.152 18081 3353 1 6 . 1 1 17 17 ARG N N 17 115.917 115.917 115.887 0.030 18081 3354 1 6 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.342 -0.071 18081 3355 1 6 . 1 1 17 17 ARG C C 17 175.861 175.861 178.091 -2.230 18081 3356 1 6 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.797 -0.747 18081 3357 1 6 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.712 0.313 18081 3358 1 6 . 1 1 17 17 ARG H H 17 8.227 8.227 8.422 -0.195 18081 3359 1 6 . 1 1 18 18 GLN N N 18 117.044 117.044 118.033 -0.989 18081 3360 1 6 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.305 0.094 18081 3361 1 6 . 1 1 18 18 GLN C C 18 175.506 175.506 175.475 0.031 18081 3362 1 6 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.651 -0.512 18081 3363 1 6 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.504 1.305 18081 3364 1 6 . 1 1 18 18 GLN H H 18 7.765 7.765 8.113 -0.348 18081 3365 1 6 . 1 1 19 19 GLU N N 19 118.659 118.659 119.158 -0.499 18081 3366 1 6 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.455 0.104 18081 3367 1 6 . 1 1 19 19 GLU C C 19 175.081 175.081 174.927 0.154 18081 3368 1 6 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.662 -0.480 18081 3369 1 6 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.924 0.467 18081 3370 1 6 . 1 1 19 19 GLU H H 19 8.070 8.070 7.691 0.379 18081 3371 1 6 . 1 1 20 20 GLY N N 20 113.694 113.694 112.611 1.083 18081 3372 1 6 . 1 1 20 20 GLY C C 20 174.150 174.150 172.369 1.781 18081 3373 1 6 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.837 -0.289 18081 3374 1 6 . 1 1 20 20 GLY H H 20 8.933 8.933 8.097 0.836 18081 3375 1 6 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.174 -0.501 18081 3376 1 6 . 1 1 21 21 PRO C C 21 176.703 176.703 176.528 0.175 18081 3377 1 6 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.522 0.358 18081 3378 1 6 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.100 -1.063 18081 3379 1 6 . 1 1 22 22 TRP N N 22 117.898 117.898 116.002 1.896 18081 3380 1 6 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.581 -0.266 18081 3381 1 6 . 1 1 22 22 TRP C C 22 174.965 174.965 176.772 -1.807 18081 3382 1 6 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.795 2.725 18081 3383 1 6 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.730 0.541 18081 3384 1 6 . 1 1 22 22 TRP H H 22 8.759 8.759 8.041 0.718 18081 3385 1 6 . 1 1 23 23 ALA N N 23 120.887 120.887 121.992 -1.105 18081 3386 1 6 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.532 -0.609 18081 3387 1 6 . 1 1 23 23 ALA C C 23 177.520 177.520 178.346 -0.826 18081 3388 1 6 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.250 1.531 18081 3389 1 6 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.422 -0.874 18081 3390 1 6 . 1 1 23 23 ALA H H 23 7.232 7.232 7.019 0.213 18081 3391 1 6 . 1 1 24 24 ASP N N 24 115.176 115.176 118.050 -2.874 18081 3392 1 6 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.078 0.108 18081 3393 1 6 . 1 1 24 24 ASP C C 24 176.860 176.860 175.932 0.928 18081 3394 1 6 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.328 -1.708 18081 3395 1 6 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.376 -0.889 18081 3396 1 6 . 1 1 24 24 ASP H H 24 7.718 7.718 7.524 0.194 18081 3397 1 6 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.375 -0.076 18081 3398 1 6 . 1 1 25 25 PRO C C 25 177.445 177.445 177.418 0.027 18081 3399 1 6 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.810 -0.329 18081 3400 1 6 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.057 -0.161 18081 3401 1 6 . 1 1 26 26 ALA N N 26 120.150 120.150 121.030 -0.880 18081 3402 1 6 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.268 0.037 18081 3403 1 6 . 1 1 26 26 ALA C C 26 179.061 179.061 178.594 0.467 18081 3404 1 6 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.095 -0.248 18081 3405 1 6 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.287 -0.035 18081 3406 1 6 . 1 1 26 26 ALA H H 26 8.158 8.158 8.058 0.100 18081 3407 1 6 . 1 1 27 27 GLN N N 27 117.617 117.617 116.219 1.398 18081 3408 1 6 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.342 0.353 18081 3409 1 6 . 1 1 27 27 GLN C C 27 175.309 175.309 176.208 -0.899 18081 3410 1 6 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.291 -1.033 18081 3411 1 6 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.208 0.524 18081 3412 1 6 . 1 1 27 27 GLN H H 27 7.732 7.732 7.544 0.188 18081 3413 1 6 . 1 1 28 28 ALA N N 28 122.069 122.069 122.694 -0.625 18081 3414 1 6 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.166 0.215 18081 3415 1 6 . 1 1 28 28 ALA C C 28 176.358 176.358 177.334 -0.976 18081 3416 1 6 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.729 0.853 18081 3417 1 6 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.168 1.754 18081 3418 1 6 . 1 1 28 28 ALA H H 28 6.996 6.996 7.295 -0.299 18081 3419 1 6 . 1 1 29 29 VAL N N 29 114.478 114.478 117.520 -3.042 18081 3420 1 6 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.757 -0.050 18081 3421 1 6 . 1 1 29 29 VAL C C 29 176.252 176.252 174.948 1.304 18081 3422 1 6 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.634 1.355 18081 3423 1 6 . 1 1 29 29 VAL CB C 29 31.600 31.600 33.351 -1.751 18081 3424 1 6 . 1 1 29 29 VAL H H 29 7.868 7.868 7.742 0.126 18081 3425 1 6 . 1 1 30 30 VAL N N 30 129.718 129.718 126.772 2.946 18081 3426 1 6 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.531 -0.144 18081 3427 1 6 . 1 1 30 30 VAL C C 30 175.107 175.107 174.614 0.493 18081 3428 1 6 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.514 0.229 18081 3429 1 6 . 1 1 30 30 VAL CB C 30 35.258 35.258 36.016 -0.758 18081 3430 1 6 . 1 1 30 30 VAL H H 30 9.556 9.556 8.384 1.172 18081 3431 1 6 . 1 1 31 31 GLN N N 31 129.372 129.372 127.113 2.259 18081 3432 1 6 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.225 -0.084 18081 3433 1 6 . 1 1 31 31 GLN C C 31 176.413 176.413 175.744 0.669 18081 3434 1 6 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.001 0.049 18081 3435 1 6 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.927 -1.876 18081 3436 1 6 . 1 1 31 31 GLN H H 31 9.153 9.153 8.830 0.323 18081 3437 1 6 . 1 1 32 32 THR N N 32 119.775 119.775 121.432 -1.657 18081 3438 1 6 . 1 1 32 32 THR HA H 32 4.392 4.392 4.615 -0.223 18081 3439 1 6 . 1 1 32 32 THR C C 32 174.102 174.102 174.022 0.080 18081 3440 1 6 . 1 1 32 32 THR CA C 32 61.678 61.678 61.273 0.405 18081 3441 1 6 . 1 1 32 32 THR CB C 32 68.775 68.775 69.822 -1.047 18081 3442 1 6 . 1 1 32 32 THR H H 32 8.266 8.266 8.217 0.049 18081 3443 1 6 . 1 1 33 33 GLY N N 33 111.761 111.761 110.578 1.183 18081 3444 1 6 . 1 1 33 33 GLY C C 33 170.586 170.586 172.383 -1.797 18081 3445 1 6 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.840 1.242 18081 3446 1 6 . 1 1 33 33 GLY H H 33 7.997 7.997 7.368 0.629 18081 3447 1 6 . 1 1 34 34 PRO C C 34 176.674 176.674 176.153 0.521 18081 3448 1 6 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.755 0.126 18081 3449 1 6 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.185 -0.824 18081 3450 1 6 . 1 1 35 35 ASN N N 35 117.681 117.681 113.206 4.475 18081 3451 1 6 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.606 0.248 18081 3452 1 6 . 1 1 35 35 ASN C C 35 173.262 173.262 172.961 0.301 18081 3453 1 6 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.904 -0.781 18081 3454 1 6 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.289 0.467 18081 3455 1 6 . 1 1 35 35 ASN H H 35 8.649 8.649 8.240 0.409 18081 3456 1 6 . 1 1 36 36 GLN N N 36 119.276 119.276 117.134 2.142 18081 3457 1 6 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.835 0.732 18081 3458 1 6 . 1 1 36 36 GLN C C 36 173.292 173.292 173.806 -0.514 18081 3459 1 6 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.283 0.320 18081 3460 1 6 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.609 3.265 18081 3461 1 6 . 1 1 36 36 GLN H H 36 6.953 6.953 7.485 -0.532 18081 3462 1 6 . 1 1 37 37 TYR N N 37 125.339 125.339 124.468 0.871 18081 3463 1 6 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.814 0.250 18081 3464 1 6 . 1 1 37 37 TYR C C 37 174.321 174.321 175.796 -1.475 18081 3465 1 6 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.431 0.041 18081 3466 1 6 . 1 1 37 37 TYR CB C 37 40.696 40.696 40.180 0.516 18081 3467 1 6 . 1 1 37 37 TYR H H 37 8.898 8.898 8.797 0.101 18081 3468 1 6 . 1 1 38 38 THR N N 38 121.935 121.935 121.138 0.797 18081 3469 1 6 . 1 1 38 38 THR HA H 38 5.098 5.098 4.473 0.625 18081 3470 1 6 . 1 1 38 38 THR C C 38 172.253 172.253 173.835 -1.582 18081 3471 1 6 . 1 1 38 38 THR CA C 38 61.589 61.589 62.950 -1.361 18081 3472 1 6 . 1 1 38 38 THR CB C 38 69.764 69.764 68.416 1.348 18081 3473 1 6 . 1 1 38 38 THR H H 38 9.592 9.592 9.036 0.556 18081 3474 1 6 . 1 1 39 39 VAL N N 39 126.189 126.189 127.763 -1.574 18081 3475 1 6 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.015 1.086 18081 3476 1 6 . 1 1 39 39 VAL C C 39 174.612 174.612 174.236 0.376 18081 3477 1 6 . 1 1 39 39 VAL CA C 39 59.631 59.631 62.148 -2.517 18081 3478 1 6 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.612 1.459 18081 3479 1 6 . 1 1 39 39 VAL H H 39 8.710 8.710 7.878 0.832 18081 3480 1 6 . 1 1 40 40 TYR N N 40 130.243 130.243 124.106 6.137 18081 3481 1 6 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.118 -0.477 18081 3482 1 6 . 1 1 40 40 TYR C C 40 174.840 174.840 175.809 -0.969 18081 3483 1 6 . 1 1 40 40 TYR CA C 40 58.652 58.652 57.050 1.601 18081 3484 1 6 . 1 1 40 40 TYR CB C 40 36.840 36.840 40.846 -4.006 18081 3485 1 6 . 1 1 40 40 TYR H H 40 9.139 9.139 8.430 0.709 18081 3486 1 6 . 1 1 41 41 VAL N N 41 124.415 124.415 123.850 0.565 18081 3487 1 6 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.630 0.710 18081 3488 1 6 . 1 1 41 41 VAL C C 41 175.680 175.680 174.422 1.258 18081 3489 1 6 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.394 -1.140 18081 3490 1 6 . 1 1 41 41 VAL CB C 41 34.862 34.862 35.795 -0.933 18081 3491 1 6 . 1 1 41 41 VAL H H 41 8.686 8.686 9.538 -0.852 18081 3492 1 6 . 1 1 42 42 LEU N N 42 129.148 129.148 128.362 0.786 18081 3493 1 6 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.943 0.203 18081 3494 1 6 . 1 1 42 42 LEU C C 42 175.161 175.161 174.439 0.722 18081 3495 1 6 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.256 -1.477 18081 3496 1 6 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.642 -1.004 18081 3497 1 6 . 1 1 42 42 LEU H H 42 9.694 9.694 8.588 1.106 18081 3498 1 6 . 1 1 43 43 ALA N N 43 130.434 130.434 126.653 3.781 18081 3499 1 6 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.204 0.518 18081 3500 1 6 . 1 1 43 43 ALA C C 43 173.292 173.292 174.919 -1.627 18081 3501 1 6 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.691 -1.537 18081 3502 1 6 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.135 -0.005 18081 3503 1 6 . 1 1 43 43 ALA H H 43 8.679 8.679 8.091 0.588 18081 3504 1 6 . 1 1 44 44 PHE N N 44 118.472 118.472 118.002 0.470 18081 3505 1 6 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.904 0.305 18081 3506 1 6 . 1 1 44 44 PHE C C 44 172.698 172.698 174.973 -2.275 18081 3507 1 6 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.120 -1.994 18081 3508 1 6 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.892 1.781 18081 3509 1 6 . 1 1 44 44 PHE H H 44 7.756 7.756 7.359 0.397 18081 3510 1 6 . 1 1 45 45 ALA N N 45 122.901 122.901 123.148 -0.247 18081 3511 1 6 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.450 -1.037 18081 3512 1 6 . 1 1 45 45 ALA C C 45 177.267 177.267 177.022 0.245 18081 3513 1 6 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.589 -6.306 18081 3514 1 6 . 1 1 45 45 ALA CB C 45 15.780 15.780 19.262 -3.482 18081 3515 1 6 . 1 1 45 45 ALA H H 45 9.739 9.739 8.811 0.928 18081 3516 1 6 . 1 1 46 46 PHE N N 46 128.515 128.515 119.071 9.444 18081 3517 1 6 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.520 0.700 18081 3518 1 6 . 1 1 46 46 PHE C C 46 173.387 173.387 176.079 -2.692 18081 3519 1 6 . 1 1 46 46 PHE CA C 46 60.031 60.031 57.079 2.952 18081 3520 1 6 . 1 1 46 46 PHE CB C 46 40.399 40.399 37.325 3.074 18081 3521 1 6 . 1 1 46 46 PHE H H 46 7.994 7.994 8.376 -0.382 18081 3522 1 6 . 1 1 47 47 GLY N N 47 113.741 113.741 113.226 0.515 18081 3523 1 6 . 1 1 47 47 GLY C C 47 167.774 167.774 172.613 -4.839 18081 3524 1 6 . 1 1 47 47 GLY CA C 47 45.235 45.235 45.091 0.144 18081 3525 1 6 . 1 1 47 47 GLY H H 47 7.796 7.796 7.898 -0.102 18081 3526 1 6 . 1 1 48 48 TYR N N 48 119.637 119.637 118.247 1.390 18081 3527 1 6 . 1 1 48 48 TYR HA H 48 5.338 5.338 5.001 0.337 18081 3528 1 6 . 1 1 48 48 TYR C C 48 175.042 175.042 173.567 1.475 18081 3529 1 6 . 1 1 48 48 TYR CA C 48 56.294 56.294 56.453 -0.159 18081 3530 1 6 . 1 1 48 48 TYR CB C 48 41.962 41.962 39.782 2.179 18081 3531 1 6 . 1 1 48 48 TYR H H 48 8.370 8.370 8.334 0.036 18081 3532 1 6 . 1 1 49 49 GLN N N 49 121.776 121.776 121.631 0.145 18081 3533 1 6 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.636 0.181 18081 3534 1 6 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.312 -0.978 18081 3535 1 6 . 1 1 49 49 GLN CB C 49 33.874 33.874 30.390 3.484 18081 3536 1 6 . 1 1 49 49 GLN H H 49 9.163 9.163 8.335 0.828 18081 3537 1 6 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.604 0.138 18081 3538 1 6 . 1 1 50 50 PRO C C 50 174.271 174.271 175.754 -1.483 18081 3539 1 6 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.837 -0.047 18081 3540 1 6 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.364 2.301 18081 3541 1 6 . 1 1 51 51 ASN N N 51 113.755 113.755 117.370 -3.615 18081 3542 1 6 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.983 0.097 18081 3543 1 6 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.404 -0.405 18081 3544 1 6 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.652 2.044 18081 3545 1 6 . 1 1 51 51 ASN H H 51 8.229 8.229 8.388 -0.159 18081 3546 1 6 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.468 0.803 18081 3547 1 6 . 1 1 52 52 PRO C C 52 176.525 176.525 175.711 0.814 18081 3548 1 6 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.985 0.606 18081 3549 1 6 . 1 1 52 52 PRO CB C 52 34.907 34.907 32.082 2.825 18081 3550 1 6 . 1 1 53 53 ILE N N 53 120.452 120.452 122.764 -2.312 18081 3551 1 6 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.516 -0.450 18081 3552 1 6 . 1 1 53 53 ILE C C 53 174.236 174.236 174.947 -0.711 18081 3553 1 6 . 1 1 53 53 ILE CA C 53 61.500 61.500 59.029 2.471 18081 3554 1 6 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.964 -1.059 18081 3555 1 6 . 1 1 53 53 ILE H H 53 8.321 8.321 8.038 0.283 18081 3556 1 6 . 1 1 54 54 GLU N N 54 129.279 129.279 122.542 6.737 18081 3557 1 6 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.454 1.013 18081 3558 1 6 . 1 1 54 54 GLU C C 54 175.598 175.598 174.614 0.984 18081 3559 1 6 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.843 -0.839 18081 3560 1 6 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.098 -1.191 18081 3561 1 6 . 1 1 54 54 GLU H H 54 8.458 8.458 8.360 0.098 18081 3562 1 6 . 1 1 55 55 VAL N N 55 115.767 115.767 124.425 -8.658 18081 3563 1 6 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.491 0.165 18081 3564 1 6 . 1 1 55 55 VAL C C 55 172.453 172.453 173.513 -1.060 18081 3565 1 6 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.234 -2.495 18081 3566 1 6 . 1 1 55 55 VAL CB C 55 33.972 33.972 33.465 0.507 18081 3567 1 6 . 1 1 55 55 VAL H H 55 8.492 8.492 8.493 -0.001 18081 3568 1 6 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.772 -0.105 18081 3569 1 6 . 1 1 56 56 PRO C C 56 177.445 177.445 177.405 0.040 18081 3570 1 6 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.163 -0.485 18081 3571 1 6 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.458 0.537 18081 3572 1 6 . 1 1 57 57 GLN N N 57 122.020 122.020 124.759 -2.739 18081 3573 1 6 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.063 -0.173 18081 3574 1 6 . 1 1 57 57 GLN C C 57 176.735 176.735 176.680 0.055 18081 3575 1 6 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.238 0.634 18081 3576 1 6 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.827 -0.985 18081 3577 1 6 . 1 1 57 57 GLN H H 57 8.466 8.466 8.057 0.409 18081 3578 1 6 . 1 1 58 58 GLY N N 58 112.805 112.805 111.184 1.621 18081 3579 1 6 . 1 1 58 58 GLY C C 58 172.686 172.686 173.399 -0.713 18081 3580 1 6 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.029 1.343 18081 3581 1 6 . 1 1 58 58 GLY H H 58 8.713 8.713 8.686 0.027 18081 3582 1 6 . 1 1 59 59 ALA N N 59 122.839 122.839 125.174 -2.335 18081 3583 1 6 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.536 0.015 18081 3584 1 6 . 1 1 59 59 ALA C C 59 176.659 176.659 175.997 0.662 18081 3585 1 6 . 1 1 59 59 ALA CA C 59 50.732 50.732 51.153 -0.421 18081 3586 1 6 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.298 -0.574 18081 3587 1 6 . 1 1 59 59 ALA H H 59 6.982 6.982 7.358 -0.376 18081 3588 1 6 . 1 1 60 60 GLU N N 60 123.390 123.390 118.951 4.439 18081 3589 1 6 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.339 -0.032 18081 3590 1 6 . 1 1 60 60 GLU C C 60 173.876 173.876 175.558 -1.682 18081 3591 1 6 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.546 0.282 18081 3592 1 6 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.961 -0.647 18081 3593 1 6 . 1 1 60 60 GLU H H 60 8.260 8.260 8.263 -0.003 18081 3594 1 6 . 1 1 61 61 ILE N N 61 130.883 130.883 122.319 8.564 18081 3595 1 6 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.614 0.208 18081 3596 1 6 . 1 1 61 61 ILE C C 61 175.267 175.267 175.116 0.151 18081 3597 1 6 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.675 -1.252 18081 3598 1 6 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.018 -3.266 18081 3599 1 6 . 1 1 61 61 ILE H H 61 9.103 9.103 8.421 0.682 18081 3600 1 6 . 1 1 62 62 VAL N N 62 127.879 127.879 128.085 -0.206 18081 3601 1 6 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.847 -0.499 18081 3602 1 6 . 1 1 62 62 VAL C C 62 175.598 175.598 175.732 -0.134 18081 3603 1 6 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.286 0.457 18081 3604 1 6 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.076 0.128 18081 3605 1 6 . 1 1 62 62 VAL H H 62 8.992 8.992 8.809 0.183 18081 3606 1 6 . 1 1 63 63 PHE N N 63 125.354 125.354 128.833 -3.479 18081 3607 1 6 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.440 0.553 18081 3608 1 6 . 1 1 63 63 PHE C C 63 175.507 175.507 175.007 0.500 18081 3609 1 6 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.311 -1.504 18081 3610 1 6 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.730 -0.122 18081 3611 1 6 . 1 1 63 63 PHE H H 63 9.521 9.521 8.376 1.145 18081 3612 1 6 . 1 1 64 64 LYS N N 64 123.471 123.471 122.726 0.745 18081 3613 1 6 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.233 -0.140 18081 3614 1 6 . 1 1 64 64 LYS C C 64 175.877 175.877 175.489 0.388 18081 3615 1 6 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.464 -1.083 18081 3616 1 6 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.294 -1.225 18081 3617 1 6 . 1 1 64 64 LYS H H 64 8.977 8.977 8.303 0.674 18081 3618 1 6 . 1 1 65 65 ILE N N 65 125.792 125.792 125.817 -0.025 18081 3619 1 6 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.699 0.104 18081 3620 1 6 . 1 1 65 65 ILE C C 65 175.724 175.724 175.761 -0.037 18081 3621 1 6 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.185 -0.421 18081 3622 1 6 . 1 1 65 65 ILE CB C 65 41.388 41.388 41.430 -0.042 18081 3623 1 6 . 1 1 65 65 ILE H H 65 9.390 9.390 8.432 0.958 18081 3624 1 6 . 1 1 66 66 THR N N 66 119.455 119.455 120.541 -1.086 18081 3625 1 6 . 1 1 66 66 THR HA H 66 4.583 4.583 4.576 0.007 18081 3626 1 6 . 1 1 66 66 THR C C 66 170.978 170.978 172.319 -1.341 18081 3627 1 6 . 1 1 66 66 THR CA C 66 61.233 61.233 61.141 0.092 18081 3628 1 6 . 1 1 66 66 THR CB C 66 70.456 70.456 69.538 0.918 18081 3629 1 6 . 1 1 66 66 THR H H 66 8.176 8.176 8.157 0.019 18081 3630 1 6 . 1 1 67 67 SER N N 67 115.523 115.523 121.200 -5.677 18081 3631 1 6 . 1 1 67 67 SER HA H 67 6.316 6.316 5.029 1.287 18081 3632 1 6 . 1 1 67 67 SER C C 67 174.516 174.516 172.814 1.702 18081 3633 1 6 . 1 1 67 67 SER CA C 67 51.222 51.222 55.167 -3.945 18081 3634 1 6 . 1 1 67 67 SER CB C 67 66.501 66.501 65.199 1.302 18081 3635 1 6 . 1 1 67 67 SER H H 67 7.190 7.190 8.302 -1.112 18081 3636 1 6 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.281 0.547 18081 3637 1 6 . 1 1 68 68 PRO C C 68 174.360 174.360 175.802 -1.442 18081 3638 1 6 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.697 -2.128 18081 3639 1 6 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.966 0.523 18081 3640 1 6 . 1 1 69 69 ASP N N 69 120.505 120.505 117.219 3.286 18081 3641 1 6 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.914 -0.166 18081 3642 1 6 . 1 1 69 69 ASP C C 69 173.775 173.775 174.556 -0.781 18081 3643 1 6 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.730 1.718 18081 3644 1 6 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.368 -0.387 18081 3645 1 6 . 1 1 69 69 ASP H H 69 8.594 8.594 8.401 0.193 18081 3646 1 6 . 1 1 70 70 VAL N N 70 120.074 120.074 113.792 6.282 18081 3647 1 6 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.441 0.133 18081 3648 1 6 . 1 1 70 70 VAL C C 70 174.866 174.866 174.268 0.598 18081 3649 1 6 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.267 -1.036 18081 3650 1 6 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.043 1.017 18081 3651 1 6 . 1 1 70 70 VAL H H 70 10.855 10.855 7.586 3.269 18081 3652 1 6 . 1 1 71 71 ILE N N 71 121.272 121.272 124.209 -2.937 18081 3653 1 6 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.161 0.277 18081 3654 1 6 . 1 1 71 71 ILE CA C 71 62.434 62.434 61.284 1.150 18081 3655 1 6 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.850 0.671 18081 3656 1 6 . 1 1 71 71 ILE H H 71 7.670 7.670 8.415 -0.745 18081 3657 1 6 . 1 1 73 73 GLY C C 73 172.580 172.580 172.448 0.132 18081 3658 1 6 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.136 0.278 18081 3659 1 6 . 1 1 74 74 PHE N N 74 123.714 123.714 117.603 6.111 18081 3660 1 6 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.806 -0.521 18081 3661 1 6 . 1 1 74 74 PHE C C 74 171.502 171.502 173.721 -2.219 18081 3662 1 6 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.076 3.621 18081 3663 1 6 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.116 -0.321 18081 3664 1 6 . 1 1 74 74 PHE H H 74 8.712 8.712 7.183 1.529 18081 3665 1 6 . 1 1 75 75 HIS N N 75 124.835 124.835 123.438 1.397 18081 3666 1 6 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.746 0.712 18081 3667 1 6 . 1 1 75 75 HIS C C 75 172.817 172.817 174.232 -1.415 18081 3668 1 6 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.226 -2.803 18081 3669 1 6 . 1 1 75 75 HIS CB C 75 29.523 29.523 29.968 -0.445 18081 3670 1 6 . 1 1 75 75 HIS H H 75 7.786 7.786 8.828 -1.042 18081 3671 1 6 . 1 1 76 76 VAL N N 76 124.569 124.569 126.039 -1.470 18081 3672 1 6 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.849 0.444 18081 3673 1 6 . 1 1 76 76 VAL C C 76 175.843 175.843 175.819 0.024 18081 3674 1 6 . 1 1 76 76 VAL CA C 76 60.699 60.699 62.053 -1.354 18081 3675 1 6 . 1 1 76 76 VAL CB C 76 30.368 30.368 32.601 -2.233 18081 3676 1 6 . 1 1 76 76 VAL H H 76 6.558 6.558 8.108 -1.550 18081 3677 1 6 . 1 1 77 77 GLU N N 77 132.091 132.091 125.297 6.794 18081 3678 1 6 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.167 -0.278 18081 3679 1 6 . 1 1 77 77 GLU C C 77 176.941 176.941 178.046 -1.105 18081 3680 1 6 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.775 1.922 18081 3681 1 6 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.087 0.128 18081 3682 1 6 . 1 1 77 77 GLU H H 77 8.977 8.977 8.199 0.778 18081 3683 1 6 . 1 1 78 78 GLY N N 78 111.143 111.143 108.013 3.130 18081 3684 1 6 . 1 1 78 78 GLY C C 78 174.152 174.152 174.224 -0.072 18081 3685 1 6 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.993 -0.733 18081 3686 1 6 . 1 1 78 78 GLY H H 78 8.052 8.052 8.771 -0.719 18081 3687 1 6 . 1 1 79 79 THR N N 79 109.705 109.705 118.410 -8.705 18081 3688 1 6 . 1 1 79 79 THR HA H 79 4.949 4.949 4.564 0.385 18081 3689 1 6 . 1 1 79 79 THR C C 79 173.397 173.397 174.078 -0.681 18081 3690 1 6 . 1 1 79 79 THR CA C 79 60.076 60.076 60.795 -0.719 18081 3691 1 6 . 1 1 79 79 THR CB C 79 72.829 72.829 71.416 1.413 18081 3692 1 6 . 1 1 79 79 THR H H 79 7.810 7.810 7.874 -0.064 18081 3693 1 6 . 1 1 80 80 ASN N N 80 116.427 116.427 122.102 -5.675 18081 3694 1 6 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.776 0.144 18081 3695 1 6 . 1 1 80 80 ASN C C 80 175.665 175.665 174.333 1.332 18081 3696 1 6 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.179 -1.156 18081 3697 1 6 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.371 0.161 18081 3698 1 6 . 1 1 80 80 ASN H H 80 7.856 7.856 8.807 -0.951 18081 3699 1 6 . 1 1 81 81 ILE N N 81 121.552 121.552 122.634 -1.082 18081 3700 1 6 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.938 -0.141 18081 3701 1 6 . 1 1 81 81 ILE C C 81 176.564 176.564 173.579 2.985 18081 3702 1 6 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.073 1.450 18081 3703 1 6 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.096 0.005 18081 3704 1 6 . 1 1 81 81 ILE H H 81 8.493 8.493 7.781 0.712 18081 3705 1 6 . 1 1 82 82 ASN N N 82 131.507 131.507 127.472 4.035 18081 3706 1 6 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.820 0.331 18081 3707 1 6 . 1 1 82 82 ASN C C 82 173.025 173.025 174.072 -1.047 18081 3708 1 6 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.737 2.530 18081 3709 1 6 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.208 0.598 18081 3710 1 6 . 1 1 82 82 ASN H H 82 8.911 8.911 8.407 0.504 18081 3711 1 6 . 1 1 83 83 VAL N N 83 120.866 120.866 120.108 0.758 18081 3712 1 6 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.386 0.279 18081 3713 1 6 . 1 1 83 83 VAL C C 83 173.954 173.954 174.546 -0.592 18081 3714 1 6 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.491 -1.371 18081 3715 1 6 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.566 3.087 18081 3716 1 6 . 1 1 83 83 VAL H H 83 8.356 8.356 8.159 0.197 18081 3717 1 6 . 1 1 84 84 GLU N N 84 125.997 125.997 126.656 -0.659 18081 3718 1 6 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.537 0.050 18081 3719 1 6 . 1 1 84 84 GLU C C 84 174.600 174.600 174.906 -0.306 18081 3720 1 6 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.952 0.075 18081 3721 1 6 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.087 -0.278 18081 3722 1 6 . 1 1 84 84 GLU H H 84 8.534 8.534 8.508 0.026 18081 3723 1 6 . 1 1 85 85 VAL N N 85 125.888 125.888 123.555 2.333 18081 3724 1 6 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.443 -0.394 18081 3725 1 6 . 1 1 85 85 VAL C C 85 173.256 173.256 175.101 -1.845 18081 3726 1 6 . 1 1 85 85 VAL CA C 85 61.517 61.517 61.041 0.475 18081 3727 1 6 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.311 -1.525 18081 3728 1 6 . 1 1 85 85 VAL H H 85 8.782 8.782 8.208 0.574 18081 3729 1 6 . 1 1 86 86 LEU N N 86 128.745 128.745 125.598 3.147 18081 3730 1 6 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.577 0.224 18081 3731 1 6 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.312 -1.379 18081 3732 1 6 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.552 1.858 18081 3733 1 6 . 1 1 86 86 LEU H H 86 9.131 9.131 8.305 0.826 18081 3734 1 6 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.207 0.457 18081 3735 1 6 . 1 1 87 87 PRO C C 87 178.454 178.454 177.310 1.144 18081 3736 1 6 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.092 -0.480 18081 3737 1 6 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.092 -0.886 18081 3738 1 6 . 1 1 88 88 GLY N N 88 112.804 112.804 108.570 4.234 18081 3739 1 6 . 1 1 88 88 GLY C C 88 173.451 173.451 173.058 0.393 18081 3740 1 6 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.106 -0.024 18081 3741 1 6 . 1 1 88 88 GLY H H 88 9.103 9.103 8.531 0.572 18081 3742 1 6 . 1 1 89 89 GLU N N 89 118.355 118.355 116.798 1.557 18081 3743 1 6 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.509 0.591 18081 3744 1 6 . 1 1 89 89 GLU C C 89 176.719 176.719 174.881 1.838 18081 3745 1 6 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.631 -0.384 18081 3746 1 6 . 1 1 89 89 GLU CB C 89 32.863 32.863 31.843 1.020 18081 3747 1 6 . 1 1 89 89 GLU H H 89 7.764 7.764 7.418 0.346 18081 3748 1 6 . 1 1 90 90 VAL N N 90 127.142 127.142 124.708 2.434 18081 3749 1 6 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.532 -0.032 18081 3750 1 6 . 1 1 90 90 VAL C C 90 176.838 176.838 175.052 1.786 18081 3751 1 6 . 1 1 90 90 VAL CA C 90 61.856 61.856 62.491 -0.635 18081 3752 1 6 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.958 0.180 18081 3753 1 6 . 1 1 90 90 VAL H H 90 8.830 8.830 8.057 0.773 18081 3754 1 6 . 1 1 91 91 SER N N 91 127.859 127.859 122.113 5.746 18081 3755 1 6 . 1 1 91 91 SER HA H 91 4.924 4.924 4.797 0.127 18081 3756 1 6 . 1 1 91 91 SER C C 91 173.015 173.015 173.264 -0.249 18081 3757 1 6 . 1 1 91 91 SER CA C 91 58.118 58.118 57.589 0.529 18081 3758 1 6 . 1 1 91 91 SER CB C 91 63.931 63.931 65.074 -1.143 18081 3759 1 6 . 1 1 91 91 SER H H 91 9.710 9.710 8.331 1.379 18081 3760 1 6 . 1 1 92 92 THR N N 92 122.627 122.627 118.637 3.990 18081 3761 1 6 . 1 1 92 92 THR HA H 92 5.682 5.682 5.311 0.371 18081 3762 1 6 . 1 1 92 92 THR C C 92 174.480 174.480 173.186 1.294 18081 3763 1 6 . 1 1 92 92 THR CA C 92 61.856 61.856 61.791 0.065 18081 3764 1 6 . 1 1 92 92 THR CB C 92 70.160 70.160 70.576 -0.416 18081 3765 1 6 . 1 1 92 92 THR H H 92 8.864 8.864 8.366 0.498 18081 3766 1 6 . 1 1 93 93 VAL N N 93 126.698 126.698 124.539 2.159 18081 3767 1 6 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.549 -0.042 18081 3768 1 6 . 1 1 93 93 VAL C C 93 173.002 173.002 174.099 -1.097 18081 3769 1 6 . 1 1 93 93 VAL CA C 93 60.654 60.654 59.935 0.719 18081 3770 1 6 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.292 0.360 18081 3771 1 6 . 1 1 93 93 VAL H H 93 8.806 8.806 8.258 0.548 18081 3772 1 6 . 1 1 94 94 ARG N N 94 126.396 126.396 126.698 -0.302 18081 3773 1 6 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.350 0.540 18081 3774 1 6 . 1 1 94 94 ARG C C 94 175.885 175.885 175.459 0.426 18081 3775 1 6 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.819 -0.438 18081 3776 1 6 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.016 2.572 18081 3777 1 6 . 1 1 94 94 ARG H H 94 8.630 8.630 8.650 -0.020 18081 3778 1 6 . 1 1 95 95 TYR N N 95 126.390 126.390 127.261 -0.871 18081 3779 1 6 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.770 -0.450 18081 3780 1 6 . 1 1 95 95 TYR C C 95 172.683 172.683 173.915 -1.232 18081 3781 1 6 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.054 1.532 18081 3782 1 6 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.410 4.043 18081 3783 1 6 . 1 1 95 95 TYR H H 95 9.623 9.623 8.223 1.400 18081 3784 1 6 . 1 1 96 96 THR N N 96 121.396 121.396 121.898 -0.502 18081 3785 1 6 . 1 1 96 96 THR HA H 96 4.684 4.684 4.669 0.015 18081 3786 1 6 . 1 1 96 96 THR C C 96 172.729 172.729 173.458 -0.729 18081 3787 1 6 . 1 1 96 96 THR CA C 96 61.322 61.322 60.927 0.395 18081 3788 1 6 . 1 1 96 96 THR CB C 96 70.160 70.160 70.872 -0.712 18081 3789 1 6 . 1 1 96 96 THR H H 96 6.742 6.742 7.869 -1.127 18081 3790 1 6 . 1 1 97 97 PHE N N 97 126.539 126.539 125.428 1.111 18081 3791 1 6 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.463 -0.010 18081 3792 1 6 . 1 1 97 97 PHE C C 97 176.075 176.075 175.808 0.267 18081 3793 1 6 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.498 0.709 18081 3794 1 6 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.515 -1.607 18081 3795 1 6 . 1 1 97 97 PHE H H 97 8.933 8.933 8.706 0.227 18081 3796 1 6 . 1 1 98 98 LYS N N 98 123.417 123.417 118.716 4.701 18081 3797 1 6 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.397 -0.004 18081 3798 1 6 . 1 1 98 98 LYS C C 98 175.939 175.939 175.904 0.035 18081 3799 1 6 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.290 0.493 18081 3800 1 6 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.728 -0.744 18081 3801 1 6 . 1 1 98 98 LYS H H 98 8.604 8.604 8.415 0.189 18081 3802 1 6 . 1 1 99 99 ARG N N 99 118.424 118.424 119.826 -1.402 18081 3803 1 6 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.684 0.337 18081 3804 1 6 . 1 1 99 99 ARG C C 99 174.332 174.332 173.422 0.910 18081 3805 1 6 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.852 -1.251 18081 3806 1 6 . 1 1 99 99 ARG CB C 99 31.600 31.600 32.144 -0.544 18081 3807 1 6 . 1 1 99 99 ARG H H 99 7.801 7.801 7.907 -0.106 18081 3808 1 6 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.350 0.033 18081 3809 1 6 . 1 1 100 100 PRO C C 100 175.190 175.190 176.622 -1.432 18081 3810 1 6 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.635 -0.067 18081 3811 1 6 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.316 0.272 18081 3812 1 6 . 1 1 101 101 GLY N N 101 108.626 108.626 108.309 0.317 18081 3813 1 6 . 1 1 101 101 GLY C C 101 171.375 171.375 172.435 -1.060 18081 3814 1 6 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.855 -0.752 18081 3815 1 6 . 1 1 101 101 GLY H H 101 8.685 8.685 7.696 0.989 18081 3816 1 6 . 1 1 102 102 GLU N N 102 119.327 119.327 123.547 -4.220 18081 3817 1 6 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.394 0.757 18081 3818 1 6 . 1 1 102 102 GLU C C 102 176.066 176.066 174.963 1.103 18081 3819 1 6 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.157 0.247 18081 3820 1 6 . 1 1 102 102 GLU CB C 102 31.204 31.204 30.777 0.427 18081 3821 1 6 . 1 1 102 102 GLU H H 102 8.144 8.144 8.328 -0.184 18081 3822 1 6 . 1 1 103 103 TYR N N 103 125.807 125.807 121.014 4.793 18081 3823 1 6 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.916 -0.270 18081 3824 1 6 . 1 1 103 103 TYR C C 103 174.711 174.711 173.701 1.010 18081 3825 1 6 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.655 -0.317 18081 3826 1 6 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.645 -0.456 18081 3827 1 6 . 1 1 103 103 TYR H H 103 9.687 9.687 8.433 1.254 18081 3828 1 6 . 1 1 104 104 ARG N N 104 124.463 124.463 121.035 3.428 18081 3829 1 6 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.187 -0.560 18081 3830 1 6 . 1 1 104 104 ARG C C 104 174.570 174.570 175.374 -0.804 18081 3831 1 6 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.077 1.688 18081 3832 1 6 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.677 -0.979 18081 3833 1 6 . 1 1 104 104 ARG H H 104 8.902 8.902 8.241 0.661 18081 3834 1 6 . 1 1 105 105 ILE N N 105 124.589 124.589 118.571 6.018 18081 3835 1 6 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.669 0.700 18081 3836 1 6 . 1 1 105 105 ILE C C 105 175.576 175.576 173.990 1.586 18081 3837 1 6 . 1 1 105 105 ILE CA C 105 59.935 59.935 62.184 -2.249 18081 3838 1 6 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.993 0.818 18081 3839 1 6 . 1 1 105 105 ILE H H 105 8.289 8.289 8.307 -0.018 18081 3840 1 6 . 1 1 106 106 ILE N N 106 121.777 121.777 124.803 -3.026 18081 3841 1 6 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.434 0.604 18081 3842 1 6 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.376 -1.153 18081 3843 1 6 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.040 3.435 18081 3844 1 6 . 1 1 106 106 ILE H H 106 8.765 8.765 8.030 0.735 18081 3845 1 6 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.213 -0.091 18081 3846 1 6 . 1 1 109 109 GLN C C 109 175.724 175.724 175.959 -0.235 18081 3847 1 6 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.715 -0.243 18081 3848 1 6 . 1 1 109 109 GLN CB C 109 29.128 29.128 29.303 -0.175 18081 3849 1 6 . 1 1 110 110 TYR N N 110 120.856 120.856 116.044 4.812 18081 3850 1 6 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.579 -0.090 18081 3851 1 6 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.644 -0.659 18081 3852 1 6 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.368 -0.441 18081 3853 1 6 . 1 1 110 110 TYR H H 110 8.191 8.191 8.375 -0.184 18081 3854 1 6 . 1 1 111 111 CYS N N 111 120.561 120.561 119.522 1.039 18081 3855 1 6 . 1 1 111 111 CYS HA H 111 4.383 4.383 3.602 0.781 18081 3856 1 6 . 1 1 111 111 CYS C C 111 174.692 174.692 175.038 -0.346 18081 3857 1 6 . 1 1 111 111 CYS CA C 111 58.617 58.617 60.131 -1.514 18081 3858 1 6 . 1 1 111 111 CYS CB C 111 27.976 27.976 27.055 0.921 18081 3859 1 6 . 1 1 111 111 CYS H H 111 8.166 8.166 7.761 0.405 18081 3860 1 6 . 1 1 112 112 GLY N N 112 111.467 111.467 103.816 7.651 18081 3861 1 6 . 1 1 112 112 GLY C C 112 173.900 173.900 172.333 1.567 18081 3862 1 6 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.435 0.710 18081 3863 1 6 . 1 1 112 112 GLY H H 112 8.239 8.239 7.737 0.502 18081 3864 1 6 . 1 1 113 113 LEU N N 113 122.150 122.150 114.737 7.413 18081 3865 1 6 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.868 -0.544 18081 3866 1 6 . 1 1 113 113 LEU C C 113 178.068 178.068 175.570 2.498 18081 3867 1 6 . 1 1 113 113 LEU CA C 113 55.718 55.718 54.592 1.126 18081 3868 1 6 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.432 -0.353 18081 3869 1 6 . 1 1 113 113 LEU H H 113 8.179 8.179 8.502 -0.323 18081 3870 1 6 . 1 1 114 114 GLY N N 114 109.278 109.278 108.940 0.338 18081 3871 1 6 . 1 1 114 114 GLY C C 114 174.142 174.142 173.853 0.289 18081 3872 1 6 . 1 1 114 114 GLY CA C 114 45.349 45.349 46.039 -0.690 18081 3873 1 6 . 1 1 114 114 GLY H H 114 8.393 8.393 7.875 0.518 18081 3874 1 6 . 1 1 117 117 ASN N N 117 120.387 120.387 116.305 4.082 18081 3875 1 6 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.469 0.209 18081 3876 1 6 . 1 1 117 117 ASN C C 117 174.422 174.422 175.122 -0.700 18081 3877 1 6 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.312 -0.133 18081 3878 1 6 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.755 0.260 18081 3879 1 6 . 1 1 117 117 ASN H H 117 8.522 8.522 8.501 0.021 18081 3880 1 6 . 1 1 118 118 MET N N 118 120.526 120.526 118.902 1.624 18081 3881 1 6 . 1 1 118 118 MET C C 118 173.321 173.321 176.170 -2.849 18081 3882 1 6 . 1 1 118 118 MET CA C 118 55.360 55.360 56.377 -1.017 18081 3883 1 6 . 1 1 118 118 MET CB C 118 34.467 34.467 33.672 0.795 18081 3884 1 6 . 1 1 118 118 MET H H 118 7.981 7.981 8.351 -0.370 18081 3885 1 6 . 1 1 119 119 PHE N N 119 119.704 119.704 119.041 0.663 18081 3886 1 6 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.612 1.210 18081 3887 1 6 . 1 1 119 119 PHE C C 119 174.894 174.894 175.989 -1.095 18081 3888 1 6 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.306 -0.190 18081 3889 1 6 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.642 2.735 18081 3890 1 6 . 1 1 119 119 PHE H H 119 8.068 8.068 8.044 0.024 18081 3891 1 6 . 1 1 120 120 GLY N N 120 109.869 109.869 106.483 3.386 18081 3892 1 6 . 1 1 120 120 GLY C C 120 172.817 172.817 172.868 -0.051 18081 3893 1 6 . 1 1 120 120 GLY CA C 120 44.281 44.281 43.557 0.724 18081 3894 1 6 . 1 1 120 120 GLY H H 120 8.984 8.984 8.369 0.615 18081 3895 1 6 . 1 1 121 121 THR N N 121 115.820 115.820 114.375 1.445 18081 3896 1 6 . 1 1 121 121 THR HA H 121 5.068 5.068 4.668 0.400 18081 3897 1 6 . 1 1 121 121 THR C C 121 173.062 173.062 173.060 0.002 18081 3898 1 6 . 1 1 121 121 THR CA C 121 62.745 62.745 61.838 0.907 18081 3899 1 6 . 1 1 121 121 THR CB C 121 72.533 72.533 71.232 1.301 18081 3900 1 6 . 1 1 121 121 THR H H 121 8.123 8.123 8.378 -0.255 18081 3901 1 6 . 1 1 122 122 ILE N N 122 127.420 127.420 124.682 2.738 18081 3902 1 6 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.508 0.327 18081 3903 1 6 . 1 1 122 122 ILE C C 122 174.260 174.260 173.401 0.859 18081 3904 1 6 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.300 -0.223 18081 3905 1 6 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.951 -2.552 18081 3906 1 6 . 1 1 122 122 ILE H H 122 9.152 9.152 8.853 0.299 18081 3907 1 6 . 1 1 123 123 VAL N N 123 130.032 130.032 119.271 10.761 18081 3908 1 6 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.263 0.116 18081 3909 1 6 . 1 1 123 123 VAL C C 123 174.012 174.012 173.397 0.615 18081 3910 1 6 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.723 2.088 18081 3911 1 6 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.407 -2.127 18081 3912 1 6 . 1 1 123 123 VAL H H 123 9.601 9.601 8.117 1.484 18081 3913 1 6 . 1 1 124 124 VAL N N 124 128.765 128.765 124.314 4.451 18081 3914 1 6 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.515 0.184 18081 3915 1 6 . 1 1 124 124 VAL C C 124 177.239 177.239 175.569 1.670 18081 3916 1 6 . 1 1 124 124 VAL CA C 124 60.565 60.565 60.936 -0.371 18081 3917 1 6 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.621 -2.318 18081 3918 1 6 . 1 1 124 124 VAL H H 124 9.056 9.056 7.726 1.330 18081 3919 1 6 . 1 1 125 125 LYS N N 125 129.953 129.953 127.243 2.710 18081 3920 1 6 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.614 -0.273 18081 3921 1 6 . 1 1 125 125 LYS C C 125 175.317 175.317 175.999 -0.682 18081 3922 1 6 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.822 1.627 18081 3923 1 6 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.292 0.285 18081 3924 1 6 . 1 1 125 125 LYS H H 125 8.854 8.854 8.611 0.243 18081 3925 1 7 . 1 1 2 2 VAL N N 2 126.137 126.137 122.171 3.966 18081 3926 1 7 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.434 -0.408 18081 3927 1 7 . 1 1 2 2 VAL C C 2 176.484 176.484 173.962 2.522 18081 3928 1 7 . 1 1 2 2 VAL CA C 2 62.568 62.568 61.938 0.631 18081 3929 1 7 . 1 1 2 2 VAL CB C 2 32.391 32.391 33.340 -0.949 18081 3930 1 7 . 1 1 2 2 VAL H H 2 8.035 8.035 7.823 0.212 18081 3931 1 7 . 1 1 3 3 ILE N N 3 124.059 124.059 123.386 0.673 18081 3932 1 7 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.776 -0.281 18081 3933 1 7 . 1 1 3 3 ILE C C 3 174.606 174.606 174.044 0.562 18081 3934 1 7 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.535 -0.151 18081 3935 1 7 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.449 0.072 18081 3936 1 7 . 1 1 3 3 ILE H H 3 7.856 7.856 8.094 -0.238 18081 3937 1 7 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.430 -0.057 18081 3938 1 7 . 1 1 4 4 PRO C C 4 176.585 176.585 175.404 1.181 18081 3939 1 7 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.960 0.230 18081 3940 1 7 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.344 -0.380 18081 3941 1 7 . 1 1 5 5 ALA N N 5 125.371 125.371 121.221 4.150 18081 3942 1 7 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.334 -0.047 18081 3943 1 7 . 1 1 5 5 ALA C C 5 178.454 178.454 177.492 0.962 18081 3944 1 7 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.176 0.559 18081 3945 1 7 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.018 0.024 18081 3946 1 7 . 1 1 5 5 ALA H H 5 8.458 8.458 8.457 0.001 18081 3947 1 7 . 1 1 6 6 GLY N N 6 108.626 108.626 108.379 0.247 18081 3948 1 7 . 1 1 6 6 GLY C C 6 173.996 173.996 174.579 -0.583 18081 3949 1 7 . 1 1 6 6 GLY CA C 6 45.171 45.171 44.894 0.277 18081 3950 1 7 . 1 1 6 6 GLY H H 6 8.378 8.378 8.392 -0.014 18081 3951 1 7 . 1 1 7 7 LYS N N 7 121.320 121.320 119.580 1.740 18081 3952 1 7 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.638 -0.309 18081 3953 1 7 . 1 1 7 7 LYS C C 7 176.362 176.362 176.785 -0.423 18081 3954 1 7 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.324 0.792 18081 3955 1 7 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.013 -1.029 18081 3956 1 7 . 1 1 7 7 LYS H H 7 7.976 7.976 7.554 0.422 18081 3957 1 7 . 1 1 8 8 LEU N N 8 124.548 124.548 118.248 6.300 18081 3958 1 7 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.349 0.042 18081 3959 1 7 . 1 1 8 8 LEU C C 8 176.772 176.772 176.397 0.375 18081 3960 1 7 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.183 -0.001 18081 3961 1 7 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.364 0.111 18081 3962 1 7 . 1 1 8 8 LEU H H 8 8.283 8.283 8.262 0.021 18081 3963 1 7 . 1 1 9 9 GLU N N 9 124.888 124.888 118.376 6.512 18081 3964 1 7 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.348 0.042 18081 3965 1 7 . 1 1 9 9 GLU C C 9 174.919 174.919 176.009 -1.090 18081 3966 1 7 . 1 1 9 9 GLU CA C 9 56.472 56.472 56.219 0.253 18081 3967 1 7 . 1 1 9 9 GLU CB C 9 30.611 30.611 30.441 0.170 18081 3968 1 7 . 1 1 9 9 GLU H H 9 8.679 8.679 8.559 0.120 18081 3969 1 7 . 1 1 10 10 ARG N N 10 123.557 123.557 123.521 0.036 18081 3970 1 7 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.896 0.076 18081 3971 1 7 . 1 1 10 10 ARG C C 10 175.727 175.727 175.881 -0.154 18081 3972 1 7 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.455 -0.370 18081 3973 1 7 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.934 0.611 18081 3974 1 7 . 1 1 10 10 ARG H H 10 8.248 8.248 8.571 -0.323 18081 3975 1 7 . 1 1 11 11 VAL N N 11 118.077 118.077 118.933 -0.856 18081 3976 1 7 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.339 0.041 18081 3977 1 7 . 1 1 11 11 VAL C C 11 173.297 173.297 174.330 -1.033 18081 3978 1 7 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.624 -0.038 18081 3979 1 7 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.606 0.157 18081 3980 1 7 . 1 1 11 11 VAL H H 11 8.039 8.039 7.924 0.115 18081 3981 1 7 . 1 1 12 12 ASP N N 12 123.786 123.786 114.259 9.527 18081 3982 1 7 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.915 0.036 18081 3983 1 7 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.185 -0.586 18081 3984 1 7 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.657 -0.269 18081 3985 1 7 . 1 1 12 12 ASP H H 12 8.313 8.313 7.954 0.359 18081 3986 1 7 . 1 1 13 13 PRO C C 13 177.705 177.705 177.139 0.566 18081 3987 1 7 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.044 0.695 18081 3988 1 7 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.783 -0.161 18081 3989 1 7 . 1 1 14 14 THR N N 14 109.188 109.188 114.702 -5.514 18081 3990 1 7 . 1 1 14 14 THR HA H 14 4.252 4.252 4.059 0.193 18081 3991 1 7 . 1 1 14 14 THR C C 14 176.733 176.733 175.631 1.102 18081 3992 1 7 . 1 1 14 14 THR CA C 14 63.996 63.996 64.882 -0.886 18081 3993 1 7 . 1 1 14 14 THR CB C 14 69.270 69.270 69.049 0.221 18081 3994 1 7 . 1 1 14 14 THR H H 14 8.413 8.413 7.795 0.618 18081 3995 1 7 . 1 1 15 15 THR N N 15 108.904 108.904 109.479 -0.575 18081 3996 1 7 . 1 1 15 15 THR HA H 15 4.733 4.733 4.561 0.172 18081 3997 1 7 . 1 1 15 15 THR C C 15 177.174 177.174 174.532 2.642 18081 3998 1 7 . 1 1 15 15 THR CA C 15 61.589 61.589 61.929 -0.340 18081 3999 1 7 . 1 1 15 15 THR CB C 15 70.654 70.654 69.353 1.301 18081 4000 1 7 . 1 1 15 15 THR H H 15 7.413 7.413 7.897 -0.484 18081 4001 1 7 . 1 1 16 16 VAL N N 16 122.387 122.387 123.482 -1.095 18081 4002 1 7 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.847 0.351 18081 4003 1 7 . 1 1 16 16 VAL C C 16 175.683 175.683 175.418 0.265 18081 4004 1 7 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.356 0.096 18081 4005 1 7 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.112 -0.611 18081 4006 1 7 . 1 1 16 16 VAL H H 16 7.143 7.143 7.401 -0.258 18081 4007 1 7 . 1 1 17 17 ARG N N 17 115.917 115.917 115.465 0.452 18081 4008 1 7 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.478 -0.207 18081 4009 1 7 . 1 1 17 17 ARG C C 17 175.861 175.861 178.388 -2.527 18081 4010 1 7 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.594 -0.545 18081 4011 1 7 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.959 0.067 18081 4012 1 7 . 1 1 17 17 ARG H H 17 8.227 8.227 8.303 -0.076 18081 4013 1 7 . 1 1 18 18 GLN N N 18 117.044 117.044 118.481 -1.437 18081 4014 1 7 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.351 0.048 18081 4015 1 7 . 1 1 18 18 GLN C C 18 175.506 175.506 175.530 -0.024 18081 4016 1 7 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.505 -0.366 18081 4017 1 7 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.676 1.133 18081 4018 1 7 . 1 1 18 18 GLN H H 18 7.765 7.765 8.024 -0.259 18081 4019 1 7 . 1 1 19 19 GLU N N 19 118.659 118.659 119.338 -0.679 18081 4020 1 7 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.466 0.093 18081 4021 1 7 . 1 1 19 19 GLU C C 19 175.081 175.081 174.899 0.182 18081 4022 1 7 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.908 -0.726 18081 4023 1 7 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.045 0.346 18081 4024 1 7 . 1 1 19 19 GLU H H 19 8.070 8.070 8.112 -0.042 18081 4025 1 7 . 1 1 20 20 GLY N N 20 113.694 113.694 112.676 1.018 18081 4026 1 7 . 1 1 20 20 GLY C C 20 174.150 174.150 172.382 1.768 18081 4027 1 7 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.800 -0.252 18081 4028 1 7 . 1 1 20 20 GLY H H 20 8.933 8.933 8.110 0.823 18081 4029 1 7 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.176 -0.503 18081 4030 1 7 . 1 1 21 21 PRO C C 21 176.703 176.703 176.519 0.184 18081 4031 1 7 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.470 0.411 18081 4032 1 7 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.102 -1.065 18081 4033 1 7 . 1 1 22 22 TRP N N 22 117.898 117.898 115.971 1.927 18081 4034 1 7 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.624 -0.309 18081 4035 1 7 . 1 1 22 22 TRP C C 22 174.965 174.965 176.807 -1.842 18081 4036 1 7 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.765 2.756 18081 4037 1 7 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.748 0.523 18081 4038 1 7 . 1 1 22 22 TRP H H 22 8.759 8.759 8.053 0.706 18081 4039 1 7 . 1 1 23 23 ALA N N 23 120.887 120.887 122.067 -1.180 18081 4040 1 7 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.431 -0.507 18081 4041 1 7 . 1 1 23 23 ALA C C 23 177.520 177.520 178.330 -0.810 18081 4042 1 7 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.423 1.358 18081 4043 1 7 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.399 -0.851 18081 4044 1 7 . 1 1 23 23 ALA H H 23 7.232 7.232 7.061 0.171 18081 4045 1 7 . 1 1 24 24 ASP N N 24 115.176 115.176 117.815 -2.639 18081 4046 1 7 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.095 0.091 18081 4047 1 7 . 1 1 24 24 ASP C C 24 176.860 176.860 175.917 0.943 18081 4048 1 7 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.424 -1.804 18081 4049 1 7 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.462 -0.975 18081 4050 1 7 . 1 1 24 24 ASP H H 24 7.718 7.718 7.615 0.103 18081 4051 1 7 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.377 -0.078 18081 4052 1 7 . 1 1 25 25 PRO C C 25 177.445 177.445 177.495 -0.050 18081 4053 1 7 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.463 0.018 18081 4054 1 7 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.038 -0.142 18081 4055 1 7 . 1 1 26 26 ALA N N 26 120.150 120.150 119.958 0.192 18081 4056 1 7 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.245 0.060 18081 4057 1 7 . 1 1 26 26 ALA C C 26 179.061 179.061 178.135 0.926 18081 4058 1 7 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.579 0.268 18081 4059 1 7 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.165 0.087 18081 4060 1 7 . 1 1 26 26 ALA H H 26 8.158 8.158 8.062 0.096 18081 4061 1 7 . 1 1 27 27 GLN N N 27 117.617 117.617 116.132 1.485 18081 4062 1 7 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.449 0.246 18081 4063 1 7 . 1 1 27 27 GLN C C 27 175.309 175.309 176.310 -1.001 18081 4064 1 7 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.876 -0.618 18081 4065 1 7 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.908 -0.176 18081 4066 1 7 . 1 1 27 27 GLN H H 27 7.732 7.732 7.454 0.278 18081 4067 1 7 . 1 1 28 28 ALA N N 28 122.069 122.069 122.741 -0.672 18081 4068 1 7 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.197 0.184 18081 4069 1 7 . 1 1 28 28 ALA C C 28 176.358 176.358 177.660 -1.302 18081 4070 1 7 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.710 0.872 18081 4071 1 7 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.183 1.738 18081 4072 1 7 . 1 1 28 28 ALA H H 28 6.996 6.996 7.402 -0.406 18081 4073 1 7 . 1 1 29 29 VAL N N 29 114.478 114.478 117.824 -3.346 18081 4074 1 7 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.480 0.227 18081 4075 1 7 . 1 1 29 29 VAL C C 29 176.252 176.252 175.186 1.066 18081 4076 1 7 . 1 1 29 29 VAL CA C 29 61.989 61.989 61.046 0.943 18081 4077 1 7 . 1 1 29 29 VAL CB C 29 31.600 31.600 32.285 -0.685 18081 4078 1 7 . 1 1 29 29 VAL H H 29 7.868 7.868 7.861 0.007 18081 4079 1 7 . 1 1 30 30 VAL N N 30 129.718 129.718 127.950 1.768 18081 4080 1 7 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.450 -0.063 18081 4081 1 7 . 1 1 30 30 VAL C C 30 175.107 175.107 175.292 -0.185 18081 4082 1 7 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.312 0.431 18081 4083 1 7 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.089 0.169 18081 4084 1 7 . 1 1 30 30 VAL H H 30 9.556 9.556 8.196 1.360 18081 4085 1 7 . 1 1 31 31 GLN N N 31 129.372 129.372 124.948 4.424 18081 4086 1 7 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.242 -0.101 18081 4087 1 7 . 1 1 31 31 GLN C C 31 176.413 176.413 175.733 0.680 18081 4088 1 7 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.416 -0.366 18081 4089 1 7 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.711 -1.660 18081 4090 1 7 . 1 1 31 31 GLN H H 31 9.153 9.153 8.703 0.450 18081 4091 1 7 . 1 1 32 32 THR N N 32 119.775 119.775 120.260 -0.485 18081 4092 1 7 . 1 1 32 32 THR HA H 32 4.392 4.392 4.508 -0.116 18081 4093 1 7 . 1 1 32 32 THR C C 32 174.102 174.102 174.158 -0.056 18081 4094 1 7 . 1 1 32 32 THR CA C 32 61.678 61.678 61.317 0.361 18081 4095 1 7 . 1 1 32 32 THR CB C 32 68.775 68.775 70.236 -1.460 18081 4096 1 7 . 1 1 32 32 THR H H 32 8.266 8.266 8.022 0.244 18081 4097 1 7 . 1 1 33 33 GLY N N 33 111.761 111.761 109.757 2.004 18081 4098 1 7 . 1 1 33 33 GLY C C 33 170.586 170.586 172.829 -2.243 18081 4099 1 7 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.464 1.618 18081 4100 1 7 . 1 1 33 33 GLY H H 33 7.997 7.997 7.357 0.640 18081 4101 1 7 . 1 1 34 34 PRO C C 34 176.674 176.674 176.186 0.488 18081 4102 1 7 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.317 0.564 18081 4103 1 7 . 1 1 34 34 PRO CB C 34 31.361 31.361 31.991 -0.630 18081 4104 1 7 . 1 1 35 35 ASN N N 35 117.681 117.681 114.953 2.728 18081 4105 1 7 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.749 0.105 18081 4106 1 7 . 1 1 35 35 ASN C C 35 173.262 173.262 173.020 0.242 18081 4107 1 7 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.939 -0.816 18081 4108 1 7 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.277 0.479 18081 4109 1 7 . 1 1 35 35 ASN H H 35 8.649 8.649 8.082 0.567 18081 4110 1 7 . 1 1 36 36 GLN N N 36 119.276 119.276 115.385 3.891 18081 4111 1 7 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.065 0.502 18081 4112 1 7 . 1 1 36 36 GLN C C 36 173.292 173.292 173.028 0.264 18081 4113 1 7 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.431 0.172 18081 4114 1 7 . 1 1 36 36 GLN CB C 36 33.874 33.874 32.655 1.219 18081 4115 1 7 . 1 1 36 36 GLN H H 36 6.953 6.953 7.058 -0.105 18081 4116 1 7 . 1 1 37 37 TYR N N 37 125.339 125.339 117.323 8.016 18081 4117 1 7 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.997 0.067 18081 4118 1 7 . 1 1 37 37 TYR C C 37 174.321 174.321 175.105 -0.784 18081 4119 1 7 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.767 -0.295 18081 4120 1 7 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.549 -1.853 18081 4121 1 7 . 1 1 37 37 TYR H H 37 8.898 8.898 8.600 0.298 18081 4122 1 7 . 1 1 38 38 THR N N 38 121.935 121.935 120.700 1.235 18081 4123 1 7 . 1 1 38 38 THR HA H 38 5.098 5.098 4.509 0.589 18081 4124 1 7 . 1 1 38 38 THR C C 38 172.253 172.253 173.472 -1.219 18081 4125 1 7 . 1 1 38 38 THR CA C 38 61.589 61.589 62.253 -0.664 18081 4126 1 7 . 1 1 38 38 THR CB C 38 69.764 69.764 68.884 0.880 18081 4127 1 7 . 1 1 38 38 THR H H 38 9.592 9.592 8.767 0.825 18081 4128 1 7 . 1 1 39 39 VAL N N 39 126.189 126.189 127.202 -1.013 18081 4129 1 7 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.953 1.148 18081 4130 1 7 . 1 1 39 39 VAL C C 39 174.612 174.612 174.623 -0.011 18081 4131 1 7 . 1 1 39 39 VAL CA C 39 59.631 59.631 60.757 -1.126 18081 4132 1 7 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.240 1.831 18081 4133 1 7 . 1 1 39 39 VAL H H 39 8.710 8.710 8.115 0.595 18081 4134 1 7 . 1 1 40 40 TYR N N 40 130.243 130.243 124.972 5.271 18081 4135 1 7 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.072 -0.431 18081 4136 1 7 . 1 1 40 40 TYR C C 40 174.840 174.840 175.855 -1.015 18081 4137 1 7 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.660 1.992 18081 4138 1 7 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.396 -2.556 18081 4139 1 7 . 1 1 40 40 TYR H H 40 9.139 9.139 8.272 0.867 18081 4140 1 7 . 1 1 41 41 VAL N N 41 124.415 124.415 124.686 -0.271 18081 4141 1 7 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.573 0.767 18081 4142 1 7 . 1 1 41 41 VAL C C 41 175.680 175.680 174.354 1.326 18081 4143 1 7 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.652 -1.398 18081 4144 1 7 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.550 0.312 18081 4145 1 7 . 1 1 41 41 VAL H H 41 8.686 8.686 9.285 -0.599 18081 4146 1 7 . 1 1 42 42 LEU N N 42 129.148 129.148 128.996 0.152 18081 4147 1 7 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.948 0.198 18081 4148 1 7 . 1 1 42 42 LEU C C 42 175.161 175.161 174.578 0.583 18081 4149 1 7 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.394 -1.615 18081 4150 1 7 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.315 -0.676 18081 4151 1 7 . 1 1 42 42 LEU H H 42 9.694 9.694 8.675 1.019 18081 4152 1 7 . 1 1 43 43 ALA N N 43 130.434 130.434 127.533 2.901 18081 4153 1 7 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.282 0.440 18081 4154 1 7 . 1 1 43 43 ALA C C 43 173.292 173.292 174.962 -1.670 18081 4155 1 7 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.577 -1.423 18081 4156 1 7 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.182 -1.052 18081 4157 1 7 . 1 1 43 43 ALA H H 43 8.679 8.679 8.356 0.323 18081 4158 1 7 . 1 1 44 44 PHE N N 44 118.472 118.472 117.650 0.822 18081 4159 1 7 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.957 0.252 18081 4160 1 7 . 1 1 44 44 PHE C C 44 172.698 172.698 175.621 -2.923 18081 4161 1 7 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.431 -2.306 18081 4162 1 7 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.177 1.496 18081 4163 1 7 . 1 1 44 44 PHE H H 44 7.756 7.756 7.385 0.371 18081 4164 1 7 . 1 1 45 45 ALA N N 45 122.901 122.901 125.953 -3.052 18081 4165 1 7 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.526 -1.113 18081 4166 1 7 . 1 1 45 45 ALA C C 45 177.267 177.267 176.077 1.190 18081 4167 1 7 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.198 -5.915 18081 4168 1 7 . 1 1 45 45 ALA CB C 45 15.780 15.780 17.113 -1.333 18081 4169 1 7 . 1 1 45 45 ALA H H 45 9.739 9.739 8.955 0.784 18081 4170 1 7 . 1 1 46 46 PHE N N 46 128.515 128.515 118.500 10.015 18081 4171 1 7 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.762 0.458 18081 4172 1 7 . 1 1 46 46 PHE C C 46 173.387 173.387 176.804 -3.417 18081 4173 1 7 . 1 1 46 46 PHE CA C 46 60.031 60.031 58.715 1.316 18081 4174 1 7 . 1 1 46 46 PHE CB C 46 40.399 40.399 40.372 0.027 18081 4175 1 7 . 1 1 46 46 PHE H H 46 7.994 7.994 8.516 -0.522 18081 4176 1 7 . 1 1 47 47 GLY N N 47 113.741 113.741 106.697 7.044 18081 4177 1 7 . 1 1 47 47 GLY C C 47 167.774 167.774 173.257 -5.483 18081 4178 1 7 . 1 1 47 47 GLY CA C 47 45.235 45.235 45.765 -0.530 18081 4179 1 7 . 1 1 47 47 GLY H H 47 7.796 7.796 8.387 -0.591 18081 4180 1 7 . 1 1 48 48 TYR N N 48 119.637 119.637 121.188 -1.551 18081 4181 1 7 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.855 0.483 18081 4182 1 7 . 1 1 48 48 TYR C C 48 175.042 175.042 174.398 0.644 18081 4183 1 7 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.847 -1.553 18081 4184 1 7 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.440 1.522 18081 4185 1 7 . 1 1 48 48 TYR H H 48 8.370 8.370 8.562 -0.192 18081 4186 1 7 . 1 1 49 49 GLN N N 49 121.776 121.776 124.831 -3.055 18081 4187 1 7 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.846 -0.029 18081 4188 1 7 . 1 1 49 49 GLN CA C 49 52.334 52.334 52.508 -0.174 18081 4189 1 7 . 1 1 49 49 GLN CB C 49 33.874 33.874 28.297 5.577 18081 4190 1 7 . 1 1 49 49 GLN H H 49 9.163 9.163 7.752 1.411 18081 4191 1 7 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.421 0.321 18081 4192 1 7 . 1 1 50 50 PRO C C 50 174.271 174.271 176.145 -1.874 18081 4193 1 7 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.687 0.103 18081 4194 1 7 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.431 2.234 18081 4195 1 7 . 1 1 51 51 ASN N N 51 113.755 113.755 116.090 -2.335 18081 4196 1 7 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.908 0.172 18081 4197 1 7 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.404 -0.405 18081 4198 1 7 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.945 1.751 18081 4199 1 7 . 1 1 51 51 ASN H H 51 8.229 8.229 8.260 -0.031 18081 4200 1 7 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.370 0.901 18081 4201 1 7 . 1 1 52 52 PRO C C 52 176.525 176.525 176.709 -0.184 18081 4202 1 7 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.965 0.626 18081 4203 1 7 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.658 3.249 18081 4204 1 7 . 1 1 53 53 ILE N N 53 120.452 120.452 119.653 0.799 18081 4205 1 7 . 1 1 53 53 ILE HA H 53 4.066 4.066 3.950 0.116 18081 4206 1 7 . 1 1 53 53 ILE C C 53 174.236 174.236 175.571 -1.335 18081 4207 1 7 . 1 1 53 53 ILE CA C 53 61.500 61.500 62.829 -1.329 18081 4208 1 7 . 1 1 53 53 ILE CB C 53 39.905 39.905 38.313 1.592 18081 4209 1 7 . 1 1 53 53 ILE H H 53 8.321 8.321 7.527 0.794 18081 4210 1 7 . 1 1 54 54 GLU N N 54 129.279 129.279 126.940 2.339 18081 4211 1 7 . 1 1 54 54 GLU HA H 54 5.467 5.467 5.039 0.428 18081 4212 1 7 . 1 1 54 54 GLU C C 54 175.598 175.598 175.101 0.497 18081 4213 1 7 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.938 0.066 18081 4214 1 7 . 1 1 54 54 GLU CB C 54 30.907 30.907 33.660 -2.753 18081 4215 1 7 . 1 1 54 54 GLU H H 54 8.458 8.458 8.155 0.303 18081 4216 1 7 . 1 1 55 55 VAL N N 55 115.767 115.767 121.744 -5.977 18081 4217 1 7 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.370 0.286 18081 4218 1 7 . 1 1 55 55 VAL C C 55 172.453 172.453 173.457 -1.004 18081 4219 1 7 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.851 -3.112 18081 4220 1 7 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.045 -0.073 18081 4221 1 7 . 1 1 55 55 VAL H H 55 8.492 8.492 8.460 0.032 18081 4222 1 7 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.643 0.024 18081 4223 1 7 . 1 1 56 56 PRO C C 56 177.445 177.445 176.975 0.470 18081 4224 1 7 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.195 -0.517 18081 4225 1 7 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.533 0.462 18081 4226 1 7 . 1 1 57 57 GLN N N 57 122.020 122.020 124.266 -2.246 18081 4227 1 7 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.016 -0.126 18081 4228 1 7 . 1 1 57 57 GLN C C 57 176.735 176.735 177.087 -0.352 18081 4229 1 7 . 1 1 57 57 GLN CA C 57 56.872 56.872 55.816 1.056 18081 4230 1 7 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.868 -1.026 18081 4231 1 7 . 1 1 57 57 GLN H H 57 8.466 8.466 8.109 0.357 18081 4232 1 7 . 1 1 58 58 GLY N N 58 112.805 112.805 109.336 3.469 18081 4233 1 7 . 1 1 58 58 GLY C C 58 172.686 172.686 173.340 -0.654 18081 4234 1 7 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.893 1.479 18081 4235 1 7 . 1 1 58 58 GLY H H 58 8.713 8.713 8.396 0.317 18081 4236 1 7 . 1 1 59 59 ALA N N 59 122.839 122.839 122.395 0.444 18081 4237 1 7 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.655 -0.104 18081 4238 1 7 . 1 1 59 59 ALA C C 59 176.659 176.659 175.269 1.390 18081 4239 1 7 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.848 -0.116 18081 4240 1 7 . 1 1 59 59 ALA CB C 59 20.724 20.724 22.000 -1.276 18081 4241 1 7 . 1 1 59 59 ALA H H 59 6.982 6.982 7.336 -0.354 18081 4242 1 7 . 1 1 60 60 GLU N N 60 123.390 123.390 119.344 4.046 18081 4243 1 7 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.279 0.028 18081 4244 1 7 . 1 1 60 60 GLU C C 60 173.876 173.876 175.509 -1.633 18081 4245 1 7 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.428 0.399 18081 4246 1 7 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.996 -0.682 18081 4247 1 7 . 1 1 60 60 GLU H H 60 8.260 8.260 8.364 -0.104 18081 4248 1 7 . 1 1 61 61 ILE N N 61 130.883 130.883 122.394 8.489 18081 4249 1 7 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.523 0.299 18081 4250 1 7 . 1 1 61 61 ILE C C 61 175.267 175.267 175.229 0.038 18081 4251 1 7 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.598 -1.175 18081 4252 1 7 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.692 -2.940 18081 4253 1 7 . 1 1 61 61 ILE H H 61 9.103 9.103 8.400 0.703 18081 4254 1 7 . 1 1 62 62 VAL N N 62 127.879 127.879 128.275 -0.396 18081 4255 1 7 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.492 -0.144 18081 4256 1 7 . 1 1 62 62 VAL C C 62 175.598 175.598 175.234 0.364 18081 4257 1 7 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.601 0.142 18081 4258 1 7 . 1 1 62 62 VAL CB C 62 31.204 31.204 30.782 0.423 18081 4259 1 7 . 1 1 62 62 VAL H H 62 8.992 8.992 8.795 0.197 18081 4260 1 7 . 1 1 63 63 PHE N N 63 125.354 125.354 129.143 -3.789 18081 4261 1 7 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.522 0.470 18081 4262 1 7 . 1 1 63 63 PHE C C 63 175.507 175.507 175.198 0.309 18081 4263 1 7 . 1 1 63 63 PHE CA C 63 57.807 57.807 58.966 -1.159 18081 4264 1 7 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.956 -0.348 18081 4265 1 7 . 1 1 63 63 PHE H H 63 9.521 9.521 8.359 1.162 18081 4266 1 7 . 1 1 64 64 LYS N N 64 123.471 123.471 123.168 0.303 18081 4267 1 7 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.277 -0.184 18081 4268 1 7 . 1 1 64 64 LYS C C 64 175.877 175.877 175.720 0.157 18081 4269 1 7 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.370 -0.989 18081 4270 1 7 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.291 -1.222 18081 4271 1 7 . 1 1 64 64 LYS H H 64 8.977 8.977 8.604 0.373 18081 4272 1 7 . 1 1 65 65 ILE N N 65 125.792 125.792 125.444 0.348 18081 4273 1 7 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.515 0.288 18081 4274 1 7 . 1 1 65 65 ILE C C 65 175.724 175.724 175.615 0.109 18081 4275 1 7 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.095 -0.331 18081 4276 1 7 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.850 0.538 18081 4277 1 7 . 1 1 65 65 ILE H H 65 9.390 9.390 8.404 0.986 18081 4278 1 7 . 1 1 66 66 THR N N 66 119.455 119.455 117.967 1.488 18081 4279 1 7 . 1 1 66 66 THR HA H 66 4.583 4.583 4.425 0.158 18081 4280 1 7 . 1 1 66 66 THR C C 66 170.978 170.978 172.285 -1.307 18081 4281 1 7 . 1 1 66 66 THR CA C 66 61.233 61.233 61.429 -0.196 18081 4282 1 7 . 1 1 66 66 THR CB C 66 70.456 70.456 69.380 1.076 18081 4283 1 7 . 1 1 66 66 THR H H 66 8.176 8.176 7.930 0.246 18081 4284 1 7 . 1 1 67 67 SER N N 67 115.523 115.523 122.017 -6.494 18081 4285 1 7 . 1 1 67 67 SER HA H 67 6.316 6.316 5.114 1.202 18081 4286 1 7 . 1 1 67 67 SER C C 67 174.516 174.516 173.018 1.498 18081 4287 1 7 . 1 1 67 67 SER CA C 67 51.222 51.222 55.243 -4.021 18081 4288 1 7 . 1 1 67 67 SER CB C 67 66.501 66.501 65.055 1.446 18081 4289 1 7 . 1 1 67 67 SER H H 67 7.190 7.190 8.251 -1.061 18081 4290 1 7 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.366 0.462 18081 4291 1 7 . 1 1 68 68 PRO C C 68 174.360 174.360 175.855 -1.495 18081 4292 1 7 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.979 -2.411 18081 4293 1 7 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.994 0.495 18081 4294 1 7 . 1 1 69 69 ASP N N 69 120.505 120.505 117.450 3.055 18081 4295 1 7 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.895 -0.147 18081 4296 1 7 . 1 1 69 69 ASP C C 69 173.775 173.775 174.421 -0.646 18081 4297 1 7 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.676 1.773 18081 4298 1 7 . 1 1 69 69 ASP CB C 69 41.981 41.981 41.980 0.001 18081 4299 1 7 . 1 1 69 69 ASP H H 69 8.594 8.594 8.470 0.124 18081 4300 1 7 . 1 1 70 70 VAL N N 70 120.074 120.074 114.860 5.214 18081 4301 1 7 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.396 0.178 18081 4302 1 7 . 1 1 70 70 VAL C C 70 174.866 174.866 174.329 0.537 18081 4303 1 7 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.142 -0.910 18081 4304 1 7 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.656 0.404 18081 4305 1 7 . 1 1 70 70 VAL H H 70 10.855 10.855 7.669 3.186 18081 4306 1 7 . 1 1 71 71 ILE N N 71 121.272 121.272 121.712 -0.440 18081 4307 1 7 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.267 0.171 18081 4308 1 7 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.138 2.296 18081 4309 1 7 . 1 1 71 71 ILE CB C 71 38.521 38.521 38.311 0.210 18081 4310 1 7 . 1 1 71 71 ILE H H 71 7.670 7.670 8.379 -0.709 18081 4311 1 7 . 1 1 73 73 GLY C C 73 172.580 172.580 173.869 -1.289 18081 4312 1 7 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.187 -0.773 18081 4313 1 7 . 1 1 74 74 PHE N N 74 123.714 123.714 119.634 4.080 18081 4314 1 7 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.800 -0.515 18081 4315 1 7 . 1 1 74 74 PHE C C 74 171.502 171.502 173.858 -2.356 18081 4316 1 7 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.224 3.473 18081 4317 1 7 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.223 -0.428 18081 4318 1 7 . 1 1 74 74 PHE H H 74 8.712 8.712 7.012 1.700 18081 4319 1 7 . 1 1 75 75 HIS N N 75 124.835 124.835 121.726 3.109 18081 4320 1 7 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.887 0.571 18081 4321 1 7 . 1 1 75 75 HIS C C 75 172.817 172.817 173.598 -0.781 18081 4322 1 7 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.225 -2.802 18081 4323 1 7 . 1 1 75 75 HIS CB C 75 29.523 29.523 33.148 -3.626 18081 4324 1 7 . 1 1 75 75 HIS H H 75 7.786 7.786 8.541 -0.755 18081 4325 1 7 . 1 1 76 76 VAL N N 76 124.569 124.569 123.789 0.780 18081 4326 1 7 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.961 0.332 18081 4327 1 7 . 1 1 76 76 VAL C C 76 175.843 175.843 174.977 0.866 18081 4328 1 7 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.680 0.019 18081 4329 1 7 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.508 -5.140 18081 4330 1 7 . 1 1 76 76 VAL H H 76 6.558 6.558 7.855 -1.297 18081 4331 1 7 . 1 1 77 77 GLU N N 77 132.091 132.091 124.919 7.172 18081 4332 1 7 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.118 -0.229 18081 4333 1 7 . 1 1 77 77 GLU C C 77 176.941 176.941 178.041 -1.100 18081 4334 1 7 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.654 1.042 18081 4335 1 7 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.207 0.008 18081 4336 1 7 . 1 1 77 77 GLU H H 77 8.977 8.977 8.449 0.528 18081 4337 1 7 . 1 1 78 78 GLY N N 78 111.143 111.143 108.258 2.885 18081 4338 1 7 . 1 1 78 78 GLY C C 78 174.152 174.152 174.069 0.083 18081 4339 1 7 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.899 -0.639 18081 4340 1 7 . 1 1 78 78 GLY H H 78 8.052 8.052 8.850 -0.798 18081 4341 1 7 . 1 1 79 79 THR N N 79 109.705 109.705 116.849 -7.144 18081 4342 1 7 . 1 1 79 79 THR HA H 79 4.949 4.949 4.433 0.516 18081 4343 1 7 . 1 1 79 79 THR C C 79 173.397 173.397 172.798 0.599 18081 4344 1 7 . 1 1 79 79 THR CA C 79 60.076 60.076 60.807 -0.731 18081 4345 1 7 . 1 1 79 79 THR CB C 79 72.829 72.829 71.131 1.698 18081 4346 1 7 . 1 1 79 79 THR H H 79 7.810 7.810 7.695 0.115 18081 4347 1 7 . 1 1 80 80 ASN N N 80 116.427 116.427 121.641 -5.214 18081 4348 1 7 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.710 0.210 18081 4349 1 7 . 1 1 80 80 ASN C C 80 175.665 175.665 174.341 1.324 18081 4350 1 7 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.032 -1.009 18081 4351 1 7 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.845 -0.313 18081 4352 1 7 . 1 1 80 80 ASN H H 80 7.856 7.856 8.603 -0.747 18081 4353 1 7 . 1 1 81 81 ILE N N 81 121.552 121.552 123.009 -1.457 18081 4354 1 7 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.952 -0.155 18081 4355 1 7 . 1 1 81 81 ILE C C 81 176.564 176.564 174.473 2.091 18081 4356 1 7 . 1 1 81 81 ILE CA C 81 62.523 62.523 60.986 1.537 18081 4357 1 7 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.734 -0.633 18081 4358 1 7 . 1 1 81 81 ILE H H 81 8.493 8.493 7.369 1.124 18081 4359 1 7 . 1 1 82 82 ASN N N 82 131.507 131.507 127.540 3.967 18081 4360 1 7 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.908 0.243 18081 4361 1 7 . 1 1 82 82 ASN C C 82 173.025 173.025 174.078 -1.053 18081 4362 1 7 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.798 2.469 18081 4363 1 7 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.671 1.135 18081 4364 1 7 . 1 1 82 82 ASN H H 82 8.911 8.911 8.555 0.356 18081 4365 1 7 . 1 1 83 83 VAL N N 83 120.866 120.866 117.812 3.054 18081 4366 1 7 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.381 0.284 18081 4367 1 7 . 1 1 83 83 VAL C C 83 173.954 173.954 174.643 -0.689 18081 4368 1 7 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.226 -1.106 18081 4369 1 7 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.251 3.402 18081 4370 1 7 . 1 1 83 83 VAL H H 83 8.356 8.356 8.214 0.142 18081 4371 1 7 . 1 1 84 84 GLU N N 84 125.997 125.997 126.695 -0.698 18081 4372 1 7 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.350 0.237 18081 4373 1 7 . 1 1 84 84 GLU C C 84 174.600 174.600 174.525 0.075 18081 4374 1 7 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.979 0.048 18081 4375 1 7 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.735 -0.926 18081 4376 1 7 . 1 1 84 84 GLU H H 84 8.534 8.534 8.583 -0.049 18081 4377 1 7 . 1 1 85 85 VAL N N 85 125.888 125.888 123.436 2.452 18081 4378 1 7 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.410 -0.361 18081 4379 1 7 . 1 1 85 85 VAL C C 85 173.256 173.256 174.341 -1.085 18081 4380 1 7 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.790 0.727 18081 4381 1 7 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.968 -2.182 18081 4382 1 7 . 1 1 85 85 VAL H H 85 8.782 8.782 8.229 0.553 18081 4383 1 7 . 1 1 86 86 LEU N N 86 128.745 128.745 126.643 2.102 18081 4384 1 7 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.540 0.261 18081 4385 1 7 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.739 -1.805 18081 4386 1 7 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.962 0.448 18081 4387 1 7 . 1 1 86 86 LEU H H 86 9.131 9.131 8.410 0.721 18081 4388 1 7 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.182 0.482 18081 4389 1 7 . 1 1 87 87 PRO C C 87 178.454 178.454 177.474 0.980 18081 4390 1 7 . 1 1 87 87 PRO CA C 87 62.612 62.612 62.909 -0.297 18081 4391 1 7 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.270 -1.065 18081 4392 1 7 . 1 1 88 88 GLY N N 88 112.804 112.804 108.279 4.525 18081 4393 1 7 . 1 1 88 88 GLY C C 88 173.451 173.451 173.466 -0.015 18081 4394 1 7 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.234 -0.152 18081 4395 1 7 . 1 1 88 88 GLY H H 88 9.103 9.103 8.569 0.534 18081 4396 1 7 . 1 1 89 89 GLU N N 89 118.355 118.355 118.422 -0.067 18081 4397 1 7 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.602 0.498 18081 4398 1 7 . 1 1 89 89 GLU C C 89 176.719 176.719 174.551 2.168 18081 4399 1 7 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.733 -0.486 18081 4400 1 7 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.834 -0.971 18081 4401 1 7 . 1 1 89 89 GLU H H 89 7.764 7.764 7.433 0.331 18081 4402 1 7 . 1 1 90 90 VAL N N 90 127.142 127.142 123.448 3.694 18081 4403 1 7 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.689 -0.189 18081 4404 1 7 . 1 1 90 90 VAL C C 90 176.838 176.838 175.830 1.008 18081 4405 1 7 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.720 0.136 18081 4406 1 7 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.402 0.736 18081 4407 1 7 . 1 1 90 90 VAL H H 90 8.830 8.830 7.975 0.855 18081 4408 1 7 . 1 1 91 91 SER N N 91 127.859 127.859 123.493 4.366 18081 4409 1 7 . 1 1 91 91 SER HA H 91 4.924 4.924 4.748 0.176 18081 4410 1 7 . 1 1 91 91 SER C C 91 173.015 173.015 173.546 -0.531 18081 4411 1 7 . 1 1 91 91 SER CA C 91 58.118 58.118 57.727 0.391 18081 4412 1 7 . 1 1 91 91 SER CB C 91 63.931 63.931 64.742 -0.811 18081 4413 1 7 . 1 1 91 91 SER H H 91 9.710 9.710 8.345 1.365 18081 4414 1 7 . 1 1 92 92 THR N N 92 122.627 122.627 116.507 6.120 18081 4415 1 7 . 1 1 92 92 THR HA H 92 5.682 5.682 5.584 0.098 18081 4416 1 7 . 1 1 92 92 THR C C 92 174.480 174.480 173.290 1.190 18081 4417 1 7 . 1 1 92 92 THR CA C 92 61.856 61.856 60.607 1.249 18081 4418 1 7 . 1 1 92 92 THR CB C 92 70.160 70.160 70.609 -0.448 18081 4419 1 7 . 1 1 92 92 THR H H 92 8.864 8.864 8.282 0.582 18081 4420 1 7 . 1 1 93 93 VAL N N 93 126.698 126.698 124.647 2.051 18081 4421 1 7 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.592 -0.085 18081 4422 1 7 . 1 1 93 93 VAL C C 93 173.002 173.002 173.687 -0.685 18081 4423 1 7 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.412 -0.758 18081 4424 1 7 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.465 0.188 18081 4425 1 7 . 1 1 93 93 VAL H H 93 8.806 8.806 8.624 0.182 18081 4426 1 7 . 1 1 94 94 ARG N N 94 126.396 126.396 129.084 -2.688 18081 4427 1 7 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.234 0.656 18081 4428 1 7 . 1 1 94 94 ARG C C 94 175.885 175.885 175.438 0.447 18081 4429 1 7 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.998 -0.617 18081 4430 1 7 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.046 2.542 18081 4431 1 7 . 1 1 94 94 ARG H H 94 8.630 8.630 8.594 0.036 18081 4432 1 7 . 1 1 95 95 TYR N N 95 126.390 126.390 127.839 -1.449 18081 4433 1 7 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.749 -0.429 18081 4434 1 7 . 1 1 95 95 TYR C C 95 172.683 172.683 173.781 -1.098 18081 4435 1 7 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.233 2.353 18081 4436 1 7 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.754 3.699 18081 4437 1 7 . 1 1 95 95 TYR H H 95 9.623 9.623 8.231 1.392 18081 4438 1 7 . 1 1 96 96 THR N N 96 121.396 121.396 121.692 -0.296 18081 4439 1 7 . 1 1 96 96 THR HA H 96 4.684 4.684 4.384 0.300 18081 4440 1 7 . 1 1 96 96 THR C C 96 172.729 172.729 173.113 -0.384 18081 4441 1 7 . 1 1 96 96 THR CA C 96 61.322 61.322 60.502 0.820 18081 4442 1 7 . 1 1 96 96 THR CB C 96 70.160 70.160 69.582 0.578 18081 4443 1 7 . 1 1 96 96 THR H H 96 6.742 6.742 8.140 -1.398 18081 4444 1 7 . 1 1 97 97 PHE N N 97 126.539 126.539 127.454 -0.915 18081 4445 1 7 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.480 -0.027 18081 4446 1 7 . 1 1 97 97 PHE C C 97 176.075 176.075 175.029 1.046 18081 4447 1 7 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.780 0.427 18081 4448 1 7 . 1 1 97 97 PHE CB C 97 39.908 39.908 40.640 -0.732 18081 4449 1 7 . 1 1 97 97 PHE H H 97 8.933 8.933 8.550 0.383 18081 4450 1 7 . 1 1 98 98 LYS N N 98 123.417 123.417 120.154 3.263 18081 4451 1 7 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.487 -0.094 18081 4452 1 7 . 1 1 98 98 LYS C C 98 175.939 175.939 175.593 0.346 18081 4453 1 7 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.611 0.173 18081 4454 1 7 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.634 -0.650 18081 4455 1 7 . 1 1 98 98 LYS H H 98 8.604 8.604 8.710 -0.106 18081 4456 1 7 . 1 1 99 99 ARG N N 99 118.424 118.424 118.381 0.043 18081 4457 1 7 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.825 0.195 18081 4458 1 7 . 1 1 99 99 ARG C C 99 174.332 174.332 173.477 0.855 18081 4459 1 7 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.472 -0.871 18081 4460 1 7 . 1 1 99 99 ARG CB C 99 31.600 31.600 32.964 -1.363 18081 4461 1 7 . 1 1 99 99 ARG H H 99 7.801 7.801 8.233 -0.432 18081 4462 1 7 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.411 -0.028 18081 4463 1 7 . 1 1 100 100 PRO C C 100 175.190 175.190 176.330 -1.140 18081 4464 1 7 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.862 -0.294 18081 4465 1 7 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.217 0.371 18081 4466 1 7 . 1 1 101 101 GLY N N 101 108.626 108.626 110.229 -1.603 18081 4467 1 7 . 1 1 101 101 GLY C C 101 171.375 171.375 171.586 -0.211 18081 4468 1 7 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.336 -0.233 18081 4469 1 7 . 1 1 101 101 GLY H H 101 8.685 8.685 7.884 0.801 18081 4470 1 7 . 1 1 102 102 GLU N N 102 119.327 119.327 120.948 -1.621 18081 4471 1 7 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.718 0.433 18081 4472 1 7 . 1 1 102 102 GLU C C 102 176.066 176.066 174.917 1.149 18081 4473 1 7 . 1 1 102 102 GLU CA C 102 55.404 55.404 53.880 1.524 18081 4474 1 7 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.163 0.041 18081 4475 1 7 . 1 1 102 102 GLU H H 102 8.144 8.144 7.995 0.149 18081 4476 1 7 . 1 1 103 103 TYR N N 103 125.807 125.807 120.730 5.077 18081 4477 1 7 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.821 -0.175 18081 4478 1 7 . 1 1 103 103 TYR C C 103 174.711 174.711 174.127 0.584 18081 4479 1 7 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.556 -0.218 18081 4480 1 7 . 1 1 103 103 TYR CB C 103 40.189 40.189 42.114 -1.925 18081 4481 1 7 . 1 1 103 103 TYR H H 103 9.687 9.687 8.354 1.333 18081 4482 1 7 . 1 1 104 104 ARG N N 104 124.463 124.463 121.780 2.683 18081 4483 1 7 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.781 -0.154 18081 4484 1 7 . 1 1 104 104 ARG C C 104 174.570 174.570 174.629 -0.059 18081 4485 1 7 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.721 1.044 18081 4486 1 7 . 1 1 104 104 ARG CB C 104 31.698 31.698 33.369 -1.671 18081 4487 1 7 . 1 1 104 104 ARG H H 104 8.902 8.902 8.526 0.376 18081 4488 1 7 . 1 1 105 105 ILE N N 105 124.589 124.589 120.167 4.422 18081 4489 1 7 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.731 0.638 18081 4490 1 7 . 1 1 105 105 ILE C C 105 175.576 175.576 174.244 1.332 18081 4491 1 7 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.997 -2.062 18081 4492 1 7 . 1 1 105 105 ILE CB C 105 39.811 39.811 37.725 2.086 18081 4493 1 7 . 1 1 105 105 ILE H H 105 8.289 8.289 8.512 -0.223 18081 4494 1 7 . 1 1 106 106 ILE N N 106 121.777 121.777 125.788 -4.011 18081 4495 1 7 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.430 0.608 18081 4496 1 7 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.296 -1.073 18081 4497 1 7 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.411 3.064 18081 4498 1 7 . 1 1 106 106 ILE H H 106 8.765 8.765 8.549 0.216 18081 4499 1 7 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.285 -0.163 18081 4500 1 7 . 1 1 109 109 GLN C C 109 175.724 175.724 174.048 1.676 18081 4501 1 7 . 1 1 109 109 GLN CA C 109 56.472 56.472 54.592 1.880 18081 4502 1 7 . 1 1 109 109 GLN CB C 109 29.128 29.128 29.396 -0.268 18081 4503 1 7 . 1 1 110 110 TYR N N 110 120.856 120.856 121.580 -0.724 18081 4504 1 7 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.304 0.185 18081 4505 1 7 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.811 -1.826 18081 4506 1 7 . 1 1 110 110 TYR CB C 110 37.927 37.927 36.539 1.388 18081 4507 1 7 . 1 1 110 110 TYR H H 110 8.191 8.191 8.703 -0.512 18081 4508 1 7 . 1 1 111 111 CYS N N 111 120.561 120.561 122.943 -2.382 18081 4509 1 7 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.446 -0.063 18081 4510 1 7 . 1 1 111 111 CYS C C 111 174.692 174.692 173.847 0.845 18081 4511 1 7 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.161 -0.544 18081 4512 1 7 . 1 1 111 111 CYS CB C 111 27.976 27.976 30.366 -2.390 18081 4513 1 7 . 1 1 111 111 CYS H H 111 8.166 8.166 8.146 0.020 18081 4514 1 7 . 1 1 112 112 GLY N N 112 111.467 111.467 109.318 2.149 18081 4515 1 7 . 1 1 112 112 GLY C C 112 173.900 173.900 174.028 -0.128 18081 4516 1 7 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.279 -0.134 18081 4517 1 7 . 1 1 112 112 GLY H H 112 8.239 8.239 8.193 0.046 18081 4518 1 7 . 1 1 113 113 LEU N N 113 122.150 122.150 119.487 2.663 18081 4519 1 7 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.078 0.246 18081 4520 1 7 . 1 1 113 113 LEU C C 113 178.068 178.068 175.867 2.201 18081 4521 1 7 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.259 0.459 18081 4522 1 7 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.515 0.564 18081 4523 1 7 . 1 1 113 113 LEU H H 113 8.179 8.179 8.077 0.102 18081 4524 1 7 . 1 1 114 114 GLY N N 114 109.278 109.278 113.402 -4.124 18081 4525 1 7 . 1 1 114 114 GLY C C 114 174.142 174.142 174.250 -0.108 18081 4526 1 7 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.722 0.627 18081 4527 1 7 . 1 1 114 114 GLY H H 114 8.393 8.393 8.480 -0.087 18081 4528 1 7 . 1 1 117 117 ASN N N 117 120.387 120.387 116.763 3.624 18081 4529 1 7 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.928 -0.250 18081 4530 1 7 . 1 1 117 117 ASN C C 117 174.422 174.422 173.904 0.518 18081 4531 1 7 . 1 1 117 117 ASN CA C 117 53.179 53.179 52.689 0.490 18081 4532 1 7 . 1 1 117 117 ASN CB C 117 39.015 39.015 41.495 -2.480 18081 4533 1 7 . 1 1 117 117 ASN H H 117 8.522 8.522 8.055 0.467 18081 4534 1 7 . 1 1 118 118 MET N N 118 120.526 120.526 118.282 2.244 18081 4535 1 7 . 1 1 118 118 MET C C 118 173.321 173.321 174.619 -1.298 18081 4536 1 7 . 1 1 118 118 MET CA C 118 55.360 55.360 53.818 1.542 18081 4537 1 7 . 1 1 118 118 MET CB C 118 34.467 34.467 35.524 -1.057 18081 4538 1 7 . 1 1 118 118 MET H H 118 7.981 7.981 8.353 -0.372 18081 4539 1 7 . 1 1 119 119 PHE N N 119 119.704 119.704 118.264 1.440 18081 4540 1 7 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.755 1.067 18081 4541 1 7 . 1 1 119 119 PHE C C 119 174.894 174.894 175.800 -0.906 18081 4542 1 7 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.627 -0.510 18081 4543 1 7 . 1 1 119 119 PHE CB C 119 42.377 42.377 40.266 2.111 18081 4544 1 7 . 1 1 119 119 PHE H H 119 8.068 8.068 8.022 0.046 18081 4545 1 7 . 1 1 120 120 GLY N N 120 109.869 109.869 110.149 -0.280 18081 4546 1 7 . 1 1 120 120 GLY C C 120 172.817 172.817 173.632 -0.815 18081 4547 1 7 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.800 -0.519 18081 4548 1 7 . 1 1 120 120 GLY H H 120 8.984 8.984 8.368 0.616 18081 4549 1 7 . 1 1 121 121 THR N N 121 115.820 115.820 120.364 -4.544 18081 4550 1 7 . 1 1 121 121 THR HA H 121 5.068 5.068 5.039 0.029 18081 4551 1 7 . 1 1 121 121 THR C C 121 173.062 173.062 174.268 -1.206 18081 4552 1 7 . 1 1 121 121 THR CA C 121 62.745 62.745 62.124 0.620 18081 4553 1 7 . 1 1 121 121 THR CB C 121 72.533 72.533 70.072 2.461 18081 4554 1 7 . 1 1 121 121 THR H H 121 8.123 8.123 8.418 -0.295 18081 4555 1 7 . 1 1 122 122 ILE N N 122 127.420 127.420 127.260 0.160 18081 4556 1 7 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.375 0.460 18081 4557 1 7 . 1 1 122 122 ILE C C 122 174.260 174.260 173.710 0.550 18081 4558 1 7 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.948 -0.872 18081 4559 1 7 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.346 -1.947 18081 4560 1 7 . 1 1 122 122 ILE H H 122 9.152 9.152 9.030 0.122 18081 4561 1 7 . 1 1 123 123 VAL N N 123 130.032 130.032 127.459 2.573 18081 4562 1 7 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.458 -0.079 18081 4563 1 7 . 1 1 123 123 VAL C C 123 174.012 174.012 173.836 0.176 18081 4564 1 7 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.589 2.222 18081 4565 1 7 . 1 1 123 123 VAL CB C 123 33.280 33.280 34.357 -1.077 18081 4566 1 7 . 1 1 123 123 VAL H H 123 9.601 9.601 8.057 1.544 18081 4567 1 7 . 1 1 124 124 VAL N N 124 128.765 128.765 129.229 -0.464 18081 4568 1 7 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.252 0.447 18081 4569 1 7 . 1 1 124 124 VAL C C 124 177.239 177.239 174.980 2.259 18081 4570 1 7 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.468 -0.903 18081 4571 1 7 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.580 -1.277 18081 4572 1 7 . 1 1 124 124 VAL H H 124 9.056 9.056 7.693 1.363 18081 4573 1 7 . 1 1 125 125 LYS N N 125 129.953 129.953 127.105 2.848 18081 4574 1 7 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.539 -0.198 18081 4575 1 7 . 1 1 125 125 LYS C C 125 175.317 175.317 175.999 -0.682 18081 4576 1 7 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.763 1.686 18081 4577 1 7 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.916 0.660 18081 4578 1 7 . 1 1 125 125 LYS H H 125 8.854 8.854 8.498 0.356 18081 4579 1 8 . 1 1 2 2 VAL N N 2 126.137 126.137 119.625 6.512 18081 4580 1 8 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.427 -0.401 18081 4581 1 8 . 1 1 2 2 VAL C C 2 176.484 176.484 174.850 1.634 18081 4582 1 8 . 1 1 2 2 VAL CA C 2 62.568 62.568 61.256 1.312 18081 4583 1 8 . 1 1 2 2 VAL CB C 2 32.391 32.391 32.489 -0.098 18081 4584 1 8 . 1 1 2 2 VAL H H 2 8.035 8.035 7.645 0.390 18081 4585 1 8 . 1 1 3 3 ILE N N 3 124.059 124.059 121.965 2.094 18081 4586 1 8 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.649 -0.154 18081 4587 1 8 . 1 1 3 3 ILE C C 3 174.606 174.606 174.196 0.410 18081 4588 1 8 . 1 1 3 3 ILE CA C 3 58.385 58.385 59.406 -1.021 18081 4589 1 8 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.849 0.672 18081 4590 1 8 . 1 1 3 3 ILE H H 3 7.856 7.856 8.046 -0.190 18081 4591 1 8 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.550 -0.177 18081 4592 1 8 . 1 1 4 4 PRO C C 4 176.585 176.585 175.847 0.738 18081 4593 1 8 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.491 0.699 18081 4594 1 8 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.487 -0.523 18081 4595 1 8 . 1 1 5 5 ALA N N 5 125.371 125.371 122.681 2.690 18081 4596 1 8 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.586 -0.299 18081 4597 1 8 . 1 1 5 5 ALA C C 5 178.454 178.454 176.371 2.083 18081 4598 1 8 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.289 0.445 18081 4599 1 8 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.635 -0.592 18081 4600 1 8 . 1 1 5 5 ALA H H 5 8.458 8.458 8.454 0.004 18081 4601 1 8 . 1 1 6 6 GLY N N 6 108.626 108.626 110.885 -2.259 18081 4602 1 8 . 1 1 6 6 GLY C C 6 173.996 173.996 173.470 0.526 18081 4603 1 8 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.467 -0.296 18081 4604 1 8 . 1 1 6 6 GLY H H 6 8.378 8.378 8.377 0.001 18081 4605 1 8 . 1 1 7 7 LYS N N 7 121.320 121.320 121.726 -0.406 18081 4606 1 8 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.823 -0.494 18081 4607 1 8 . 1 1 7 7 LYS C C 7 176.362 176.362 175.641 0.721 18081 4608 1 8 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.832 0.284 18081 4609 1 8 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.965 -0.981 18081 4610 1 8 . 1 1 7 7 LYS H H 7 7.976 7.976 8.404 -0.428 18081 4611 1 8 . 1 1 8 8 LEU N N 8 124.548 124.548 117.608 6.940 18081 4612 1 8 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.115 0.276 18081 4613 1 8 . 1 1 8 8 LEU C C 8 176.772 176.772 175.103 1.669 18081 4614 1 8 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.727 -0.545 18081 4615 1 8 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.151 0.324 18081 4616 1 8 . 1 1 8 8 LEU H H 8 8.283 8.283 8.475 -0.192 18081 4617 1 8 . 1 1 9 9 GLU N N 9 124.888 124.888 119.457 5.431 18081 4618 1 8 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.646 -0.256 18081 4619 1 8 . 1 1 9 9 GLU C C 9 174.919 174.919 175.466 -0.547 18081 4620 1 8 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.890 1.582 18081 4621 1 8 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.273 -1.662 18081 4622 1 8 . 1 1 9 9 GLU H H 9 8.679 8.679 8.602 0.077 18081 4623 1 8 . 1 1 10 10 ARG N N 10 123.557 123.557 123.206 0.351 18081 4624 1 8 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.423 0.549 18081 4625 1 8 . 1 1 10 10 ARG C C 10 175.727 175.727 176.515 -0.788 18081 4626 1 8 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.925 -0.840 18081 4627 1 8 . 1 1 10 10 ARG CB C 10 32.545 32.545 30.812 1.733 18081 4628 1 8 . 1 1 10 10 ARG H H 10 8.248 8.248 8.552 -0.304 18081 4629 1 8 . 1 1 11 11 VAL N N 11 118.077 118.077 120.371 -2.294 18081 4630 1 8 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.378 0.002 18081 4631 1 8 . 1 1 11 11 VAL C C 11 173.297 173.297 174.438 -1.141 18081 4632 1 8 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.740 -0.154 18081 4633 1 8 . 1 1 11 11 VAL CB C 11 34.763 34.763 35.013 -0.250 18081 4634 1 8 . 1 1 11 11 VAL H H 11 8.039 8.039 7.952 0.087 18081 4635 1 8 . 1 1 12 12 ASP N N 12 123.786 123.786 114.777 9.009 18081 4636 1 8 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.944 0.007 18081 4637 1 8 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.195 -0.596 18081 4638 1 8 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.556 -0.168 18081 4639 1 8 . 1 1 12 12 ASP H H 12 8.313 8.313 8.057 0.256 18081 4640 1 8 . 1 1 13 13 PRO C C 13 177.705 177.705 177.438 0.267 18081 4641 1 8 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.109 0.630 18081 4642 1 8 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.979 -0.357 18081 4643 1 8 . 1 1 14 14 THR N N 14 109.188 109.188 115.716 -6.528 18081 4644 1 8 . 1 1 14 14 THR HA H 14 4.252 4.252 4.103 0.149 18081 4645 1 8 . 1 1 14 14 THR C C 14 176.733 176.733 175.718 1.015 18081 4646 1 8 . 1 1 14 14 THR CA C 14 63.996 63.996 65.552 -1.556 18081 4647 1 8 . 1 1 14 14 THR CB C 14 69.270 69.270 68.776 0.494 18081 4648 1 8 . 1 1 14 14 THR H H 14 8.413 8.413 8.315 0.098 18081 4649 1 8 . 1 1 15 15 THR N N 15 108.904 108.904 109.805 -0.901 18081 4650 1 8 . 1 1 15 15 THR HA H 15 4.733 4.733 4.531 0.202 18081 4651 1 8 . 1 1 15 15 THR C C 15 177.174 177.174 174.543 2.631 18081 4652 1 8 . 1 1 15 15 THR CA C 15 61.589 61.589 61.911 -0.322 18081 4653 1 8 . 1 1 15 15 THR CB C 15 70.654 70.654 69.535 1.119 18081 4654 1 8 . 1 1 15 15 THR H H 15 7.413 7.413 7.937 -0.524 18081 4655 1 8 . 1 1 16 16 VAL N N 16 122.387 122.387 123.224 -0.837 18081 4656 1 8 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.784 0.414 18081 4657 1 8 . 1 1 16 16 VAL C C 16 175.683 175.683 175.111 0.572 18081 4658 1 8 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.838 -1.386 18081 4659 1 8 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.851 -0.350 18081 4660 1 8 . 1 1 16 16 VAL H H 16 7.143 7.143 7.406 -0.263 18081 4661 1 8 . 1 1 17 17 ARG N N 17 115.917 115.917 113.139 2.778 18081 4662 1 8 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.563 -0.292 18081 4663 1 8 . 1 1 17 17 ARG C C 17 175.861 175.861 178.199 -2.338 18081 4664 1 8 . 1 1 17 17 ARG CA C 17 57.050 57.050 56.732 0.318 18081 4665 1 8 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.112 -0.086 18081 4666 1 8 . 1 1 17 17 ARG H H 17 8.227 8.227 8.294 -0.067 18081 4667 1 8 . 1 1 18 18 GLN N N 18 117.044 117.044 118.551 -1.507 18081 4668 1 8 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.364 0.035 18081 4669 1 8 . 1 1 18 18 GLN C C 18 175.506 175.506 176.133 -0.627 18081 4670 1 8 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.394 -0.255 18081 4671 1 8 . 1 1 18 18 GLN CB C 18 30.809 30.809 30.652 0.157 18081 4672 1 8 . 1 1 18 18 GLN H H 18 7.765 7.765 7.732 0.033 18081 4673 1 8 . 1 1 19 19 GLU N N 19 118.659 118.659 117.775 0.884 18081 4674 1 8 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.476 0.083 18081 4675 1 8 . 1 1 19 19 GLU C C 19 175.081 175.081 175.183 -0.102 18081 4676 1 8 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.459 -0.277 18081 4677 1 8 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.469 -0.078 18081 4678 1 8 . 1 1 19 19 GLU H H 19 8.070 8.070 8.167 -0.097 18081 4679 1 8 . 1 1 20 20 GLY N N 20 113.694 113.694 109.761 3.933 18081 4680 1 8 . 1 1 20 20 GLY C C 20 174.150 174.150 172.642 1.508 18081 4681 1 8 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.611 -0.063 18081 4682 1 8 . 1 1 20 20 GLY H H 20 8.933 8.933 8.285 0.648 18081 4683 1 8 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.154 -0.481 18081 4684 1 8 . 1 1 21 21 PRO C C 21 176.703 176.703 176.840 -0.137 18081 4685 1 8 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.515 0.366 18081 4686 1 8 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.041 -1.004 18081 4687 1 8 . 1 1 22 22 TRP N N 22 117.898 117.898 116.266 1.632 18081 4688 1 8 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.565 -0.250 18081 4689 1 8 . 1 1 22 22 TRP C C 22 174.965 174.965 176.885 -1.920 18081 4690 1 8 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.868 2.653 18081 4691 1 8 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.591 0.680 18081 4692 1 8 . 1 1 22 22 TRP H H 22 8.759 8.759 8.115 0.644 18081 4693 1 8 . 1 1 23 23 ALA N N 23 120.887 120.887 120.399 0.488 18081 4694 1 8 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.398 -0.474 18081 4695 1 8 . 1 1 23 23 ALA C C 23 177.520 177.520 177.964 -0.444 18081 4696 1 8 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.591 1.190 18081 4697 1 8 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.212 -0.664 18081 4698 1 8 . 1 1 23 23 ALA H H 23 7.232 7.232 7.019 0.213 18081 4699 1 8 . 1 1 24 24 ASP N N 24 115.176 115.176 115.908 -0.732 18081 4700 1 8 . 1 1 24 24 ASP HA H 24 5.186 5.186 4.997 0.189 18081 4701 1 8 . 1 1 24 24 ASP C C 24 176.860 176.860 175.211 1.649 18081 4702 1 8 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.451 -1.831 18081 4703 1 8 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.975 -1.488 18081 4704 1 8 . 1 1 24 24 ASP H H 24 7.718 7.718 7.673 0.045 18081 4705 1 8 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.441 -0.142 18081 4706 1 8 . 1 1 25 25 PRO C C 25 177.445 177.445 177.144 0.301 18081 4707 1 8 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.582 -0.101 18081 4708 1 8 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.169 -0.273 18081 4709 1 8 . 1 1 26 26 ALA N N 26 120.150 120.150 121.906 -1.756 18081 4710 1 8 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.248 0.057 18081 4711 1 8 . 1 1 26 26 ALA C C 26 179.061 179.061 178.319 0.742 18081 4712 1 8 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.154 -0.307 18081 4713 1 8 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.534 -0.282 18081 4714 1 8 . 1 1 26 26 ALA H H 26 8.158 8.158 7.945 0.213 18081 4715 1 8 . 1 1 27 27 GLN N N 27 117.617 117.617 116.757 0.860 18081 4716 1 8 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.349 0.346 18081 4717 1 8 . 1 1 27 27 GLN C C 27 175.309 175.309 175.469 -0.160 18081 4718 1 8 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.989 -0.731 18081 4719 1 8 . 1 1 27 27 GLN CB C 27 28.732 28.732 27.783 0.949 18081 4720 1 8 . 1 1 27 27 GLN H H 27 7.732 7.732 7.733 -0.001 18081 4721 1 8 . 1 1 28 28 ALA N N 28 122.069 122.069 123.268 -1.199 18081 4722 1 8 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.231 0.150 18081 4723 1 8 . 1 1 28 28 ALA C C 28 176.358 176.358 177.485 -1.127 18081 4724 1 8 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.482 1.100 18081 4725 1 8 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.040 1.881 18081 4726 1 8 . 1 1 28 28 ALA H H 28 6.996 6.996 7.454 -0.458 18081 4727 1 8 . 1 1 29 29 VAL N N 29 114.478 114.478 118.152 -3.674 18081 4728 1 8 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.844 -0.137 18081 4729 1 8 . 1 1 29 29 VAL C C 29 176.252 176.252 175.042 1.210 18081 4730 1 8 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.737 1.252 18081 4731 1 8 . 1 1 29 29 VAL CB C 29 31.600 31.600 32.565 -0.965 18081 4732 1 8 . 1 1 29 29 VAL H H 29 7.868 7.868 7.836 0.032 18081 4733 1 8 . 1 1 30 30 VAL N N 30 129.718 129.718 126.116 3.602 18081 4734 1 8 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.491 -0.104 18081 4735 1 8 . 1 1 30 30 VAL C C 30 175.107 175.107 174.577 0.530 18081 4736 1 8 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.660 0.083 18081 4737 1 8 . 1 1 30 30 VAL CB C 30 35.258 35.258 36.039 -0.782 18081 4738 1 8 . 1 1 30 30 VAL H H 30 9.556 9.556 8.610 0.946 18081 4739 1 8 . 1 1 31 31 GLN N N 31 129.372 129.372 127.130 2.242 18081 4740 1 8 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.185 -0.044 18081 4741 1 8 . 1 1 31 31 GLN C C 31 176.413 176.413 176.145 0.268 18081 4742 1 8 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.786 0.264 18081 4743 1 8 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.685 -1.634 18081 4744 1 8 . 1 1 31 31 GLN H H 31 9.153 9.153 8.905 0.248 18081 4745 1 8 . 1 1 32 32 THR N N 32 119.775 119.775 117.892 1.883 18081 4746 1 8 . 1 1 32 32 THR HA H 32 4.392 4.392 4.672 -0.280 18081 4747 1 8 . 1 1 32 32 THR C C 32 174.102 174.102 174.623 -0.521 18081 4748 1 8 . 1 1 32 32 THR CA C 32 61.678 61.678 61.425 0.253 18081 4749 1 8 . 1 1 32 32 THR CB C 32 68.775 68.775 69.976 -1.201 18081 4750 1 8 . 1 1 32 32 THR H H 32 8.266 8.266 8.315 -0.049 18081 4751 1 8 . 1 1 33 33 GLY N N 33 111.761 111.761 110.514 1.247 18081 4752 1 8 . 1 1 33 33 GLY C C 33 170.586 170.586 172.483 -1.897 18081 4753 1 8 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.435 1.647 18081 4754 1 8 . 1 1 33 33 GLY H H 33 7.997 7.997 7.432 0.565 18081 4755 1 8 . 1 1 34 34 PRO C C 34 176.674 176.674 176.377 0.297 18081 4756 1 8 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.717 0.164 18081 4757 1 8 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.240 -0.879 18081 4758 1 8 . 1 1 35 35 ASN N N 35 117.681 117.681 112.855 4.826 18081 4759 1 8 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.660 0.194 18081 4760 1 8 . 1 1 35 35 ASN C C 35 173.262 173.262 172.887 0.375 18081 4761 1 8 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.025 -0.902 18081 4762 1 8 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.373 0.383 18081 4763 1 8 . 1 1 35 35 ASN H H 35 8.649 8.649 8.339 0.310 18081 4764 1 8 . 1 1 36 36 GLN N N 36 119.276 119.276 117.244 2.032 18081 4765 1 8 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.013 0.554 18081 4766 1 8 . 1 1 36 36 GLN C C 36 173.292 173.292 174.013 -0.721 18081 4767 1 8 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.199 0.404 18081 4768 1 8 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.464 3.410 18081 4769 1 8 . 1 1 36 36 GLN H H 36 6.953 6.953 7.471 -0.518 18081 4770 1 8 . 1 1 37 37 TYR N N 37 125.339 125.339 124.789 0.550 18081 4771 1 8 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.581 0.483 18081 4772 1 8 . 1 1 37 37 TYR C C 37 174.321 174.321 175.512 -1.191 18081 4773 1 8 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.847 -0.375 18081 4774 1 8 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.917 0.779 18081 4775 1 8 . 1 1 37 37 TYR H H 37 8.898 8.898 8.611 0.287 18081 4776 1 8 . 1 1 38 38 THR N N 38 121.935 121.935 120.866 1.069 18081 4777 1 8 . 1 1 38 38 THR HA H 38 5.098 5.098 4.477 0.621 18081 4778 1 8 . 1 1 38 38 THR C C 38 172.253 172.253 173.846 -1.593 18081 4779 1 8 . 1 1 38 38 THR CA C 38 61.589 61.589 62.496 -0.907 18081 4780 1 8 . 1 1 38 38 THR CB C 38 69.764 69.764 68.144 1.620 18081 4781 1 8 . 1 1 38 38 THR H H 38 9.592 9.592 8.984 0.608 18081 4782 1 8 . 1 1 39 39 VAL N N 39 126.189 126.189 128.267 -2.078 18081 4783 1 8 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.755 1.346 18081 4784 1 8 . 1 1 39 39 VAL C C 39 174.612 174.612 173.845 0.767 18081 4785 1 8 . 1 1 39 39 VAL CA C 39 59.631 59.631 62.216 -2.585 18081 4786 1 8 . 1 1 39 39 VAL CB C 39 34.071 34.071 31.814 2.257 18081 4787 1 8 . 1 1 39 39 VAL H H 39 8.710 8.710 7.866 0.844 18081 4788 1 8 . 1 1 40 40 TYR N N 40 130.243 130.243 126.027 4.216 18081 4789 1 8 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.946 -0.305 18081 4790 1 8 . 1 1 40 40 TYR C C 40 174.840 174.840 175.732 -0.892 18081 4791 1 8 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.526 2.126 18081 4792 1 8 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.608 -2.768 18081 4793 1 8 . 1 1 40 40 TYR H H 40 9.139 9.139 8.064 1.075 18081 4794 1 8 . 1 1 41 41 VAL N N 41 124.415 124.415 120.610 3.805 18081 4795 1 8 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.626 0.714 18081 4796 1 8 . 1 1 41 41 VAL C C 41 175.680 175.680 173.990 1.690 18081 4797 1 8 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.550 -1.296 18081 4798 1 8 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.079 0.783 18081 4799 1 8 . 1 1 41 41 VAL H H 41 8.686 8.686 9.354 -0.668 18081 4800 1 8 . 1 1 42 42 LEU N N 42 129.148 129.148 129.135 0.013 18081 4801 1 8 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.912 0.234 18081 4802 1 8 . 1 1 42 42 LEU C C 42 175.161 175.161 174.897 0.264 18081 4803 1 8 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.102 -0.323 18081 4804 1 8 . 1 1 42 42 LEU CB C 42 45.639 45.639 44.644 0.995 18081 4805 1 8 . 1 1 42 42 LEU H H 42 9.694 9.694 8.514 1.180 18081 4806 1 8 . 1 1 43 43 ALA N N 43 130.434 130.434 128.944 1.490 18081 4807 1 8 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.124 0.598 18081 4808 1 8 . 1 1 43 43 ALA C C 43 173.292 173.292 174.615 -1.323 18081 4809 1 8 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.605 -1.451 18081 4810 1 8 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.164 -1.034 18081 4811 1 8 . 1 1 43 43 ALA H H 43 8.679 8.679 7.932 0.747 18081 4812 1 8 . 1 1 44 44 PHE N N 44 118.472 118.472 117.363 1.109 18081 4813 1 8 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.600 0.609 18081 4814 1 8 . 1 1 44 44 PHE C C 44 172.698 172.698 174.468 -1.770 18081 4815 1 8 . 1 1 44 44 PHE CA C 44 54.125 54.125 54.579 -0.454 18081 4816 1 8 . 1 1 44 44 PHE CB C 44 42.673 42.673 39.968 2.704 18081 4817 1 8 . 1 1 44 44 PHE H H 44 7.756 7.756 6.980 0.776 18081 4818 1 8 . 1 1 45 45 ALA N N 45 122.901 122.901 121.808 1.093 18081 4819 1 8 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.344 -0.931 18081 4820 1 8 . 1 1 45 45 ALA C C 45 177.267 177.267 176.781 0.486 18081 4821 1 8 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.488 -6.205 18081 4822 1 8 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.954 -3.174 18081 4823 1 8 . 1 1 45 45 ALA H H 45 9.739 9.739 8.370 1.369 18081 4824 1 8 . 1 1 46 46 PHE N N 46 128.515 128.515 116.417 12.098 18081 4825 1 8 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.918 0.302 18081 4826 1 8 . 1 1 46 46 PHE C C 46 173.387 173.387 175.076 -1.689 18081 4827 1 8 . 1 1 46 46 PHE CA C 46 60.031 60.031 55.821 4.210 18081 4828 1 8 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.482 1.917 18081 4829 1 8 . 1 1 46 46 PHE H H 46 7.994 7.994 7.323 0.671 18081 4830 1 8 . 1 1 47 47 GLY N N 47 113.741 113.741 110.359 3.382 18081 4831 1 8 . 1 1 47 47 GLY C C 47 167.774 167.774 172.297 -4.523 18081 4832 1 8 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.516 0.719 18081 4833 1 8 . 1 1 47 47 GLY H H 47 7.796 7.796 8.188 -0.392 18081 4834 1 8 . 1 1 48 48 TYR N N 48 119.637 119.637 120.532 -0.895 18081 4835 1 8 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.670 0.668 18081 4836 1 8 . 1 1 48 48 TYR C C 48 175.042 175.042 175.250 -0.208 18081 4837 1 8 . 1 1 48 48 TYR CA C 48 56.294 56.294 58.171 -1.877 18081 4838 1 8 . 1 1 48 48 TYR CB C 48 41.962 41.962 39.871 2.091 18081 4839 1 8 . 1 1 48 48 TYR H H 48 8.370 8.370 8.686 -0.316 18081 4840 1 8 . 1 1 49 49 GLN N N 49 121.776 121.776 125.045 -3.269 18081 4841 1 8 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.887 -0.070 18081 4842 1 8 . 1 1 49 49 GLN CA C 49 52.334 52.334 52.960 -0.626 18081 4843 1 8 . 1 1 49 49 GLN CB C 49 33.874 33.874 29.527 4.346 18081 4844 1 8 . 1 1 49 49 GLN H H 49 9.163 9.163 8.124 1.039 18081 4845 1 8 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.603 0.139 18081 4846 1 8 . 1 1 50 50 PRO C C 50 174.271 174.271 176.091 -1.820 18081 4847 1 8 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.822 -0.032 18081 4848 1 8 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.582 2.083 18081 4849 1 8 . 1 1 51 51 ASN N N 51 113.755 113.755 117.197 -3.442 18081 4850 1 8 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.973 0.107 18081 4851 1 8 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.594 -0.595 18081 4852 1 8 . 1 1 51 51 ASN CB C 51 40.696 40.696 39.251 1.445 18081 4853 1 8 . 1 1 51 51 ASN H H 51 8.229 8.229 8.437 -0.208 18081 4854 1 8 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.465 0.806 18081 4855 1 8 . 1 1 52 52 PRO C C 52 176.525 176.525 175.796 0.729 18081 4856 1 8 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.742 0.849 18081 4857 1 8 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.459 3.447 18081 4858 1 8 . 1 1 53 53 ILE N N 53 120.452 120.452 123.487 -3.035 18081 4859 1 8 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.317 -0.251 18081 4860 1 8 . 1 1 53 53 ILE C C 53 174.236 174.236 175.036 -0.800 18081 4861 1 8 . 1 1 53 53 ILE CA C 53 61.500 61.500 59.006 2.494 18081 4862 1 8 . 1 1 53 53 ILE CB C 53 39.905 39.905 39.533 0.372 18081 4863 1 8 . 1 1 53 53 ILE H H 53 8.321 8.321 7.729 0.592 18081 4864 1 8 . 1 1 54 54 GLU N N 54 129.279 129.279 121.399 7.880 18081 4865 1 8 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.716 0.751 18081 4866 1 8 . 1 1 54 54 GLU C C 54 175.598 175.598 174.749 0.849 18081 4867 1 8 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.169 -0.165 18081 4868 1 8 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.288 -1.381 18081 4869 1 8 . 1 1 54 54 GLU H H 54 8.458 8.458 8.125 0.333 18081 4870 1 8 . 1 1 55 55 VAL N N 55 115.767 115.767 120.186 -4.419 18081 4871 1 8 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.595 0.061 18081 4872 1 8 . 1 1 55 55 VAL C C 55 172.453 172.453 173.537 -1.084 18081 4873 1 8 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.887 -2.148 18081 4874 1 8 . 1 1 55 55 VAL CB C 55 33.972 33.972 32.632 1.340 18081 4875 1 8 . 1 1 55 55 VAL H H 55 8.492 8.492 8.867 -0.375 18081 4876 1 8 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.839 -0.172 18081 4877 1 8 . 1 1 56 56 PRO C C 56 177.445 177.445 177.527 -0.082 18081 4878 1 8 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.184 -0.506 18081 4879 1 8 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.760 0.235 18081 4880 1 8 . 1 1 57 57 GLN N N 57 122.020 122.020 125.004 -2.984 18081 4881 1 8 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.108 -0.218 18081 4882 1 8 . 1 1 57 57 GLN C C 57 176.735 176.735 177.053 -0.318 18081 4883 1 8 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.720 0.152 18081 4884 1 8 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.562 -0.720 18081 4885 1 8 . 1 1 57 57 GLN H H 57 8.466 8.466 7.984 0.482 18081 4886 1 8 . 1 1 58 58 GLY N N 58 112.805 112.805 108.716 4.089 18081 4887 1 8 . 1 1 58 58 GLY C C 58 172.686 172.686 173.354 -0.668 18081 4888 1 8 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.474 0.898 18081 4889 1 8 . 1 1 58 58 GLY H H 58 8.713 8.713 8.442 0.271 18081 4890 1 8 . 1 1 59 59 ALA N N 59 122.839 122.839 122.818 0.021 18081 4891 1 8 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.559 -0.008 18081 4892 1 8 . 1 1 59 59 ALA C C 59 176.659 176.659 176.068 0.591 18081 4893 1 8 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.860 -0.128 18081 4894 1 8 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.672 -0.948 18081 4895 1 8 . 1 1 59 59 ALA H H 59 6.982 6.982 7.307 -0.325 18081 4896 1 8 . 1 1 60 60 GLU N N 60 123.390 123.390 121.081 2.309 18081 4897 1 8 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.349 -0.042 18081 4898 1 8 . 1 1 60 60 GLU C C 60 173.876 173.876 175.289 -1.413 18081 4899 1 8 . 1 1 60 60 GLU CA C 60 56.828 56.828 57.116 -0.288 18081 4900 1 8 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.733 -0.419 18081 4901 1 8 . 1 1 60 60 GLU H H 60 8.260 8.260 8.268 -0.009 18081 4902 1 8 . 1 1 61 61 ILE N N 61 130.883 130.883 122.516 8.367 18081 4903 1 8 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.648 0.174 18081 4904 1 8 . 1 1 61 61 ILE C C 61 175.267 175.267 175.585 -0.318 18081 4905 1 8 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.726 -1.303 18081 4906 1 8 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.127 -3.375 18081 4907 1 8 . 1 1 61 61 ILE H H 61 9.103 9.103 8.391 0.712 18081 4908 1 8 . 1 1 62 62 VAL N N 62 127.879 127.879 122.693 5.186 18081 4909 1 8 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.026 -0.678 18081 4910 1 8 . 1 1 62 62 VAL C C 62 175.598 175.598 175.837 -0.239 18081 4911 1 8 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.099 0.644 18081 4912 1 8 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.435 -0.231 18081 4913 1 8 . 1 1 62 62 VAL H H 62 8.992 8.992 8.241 0.751 18081 4914 1 8 . 1 1 63 63 PHE N N 63 125.354 125.354 129.352 -3.998 18081 4915 1 8 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.388 0.605 18081 4916 1 8 . 1 1 63 63 PHE C C 63 175.507 175.507 175.252 0.255 18081 4917 1 8 . 1 1 63 63 PHE CA C 63 57.807 57.807 60.087 -2.280 18081 4918 1 8 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.191 -0.583 18081 4919 1 8 . 1 1 63 63 PHE H H 63 9.521 9.521 9.011 0.510 18081 4920 1 8 . 1 1 64 64 LYS N N 64 123.471 123.471 121.920 1.551 18081 4921 1 8 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.435 -0.342 18081 4922 1 8 . 1 1 64 64 LYS C C 64 175.877 175.877 175.600 0.277 18081 4923 1 8 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.223 -0.842 18081 4924 1 8 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.905 -0.836 18081 4925 1 8 . 1 1 64 64 LYS H H 64 8.977 8.977 8.496 0.481 18081 4926 1 8 . 1 1 65 65 ILE N N 65 125.792 125.792 125.833 -0.041 18081 4927 1 8 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.160 0.643 18081 4928 1 8 . 1 1 65 65 ILE C C 65 175.724 175.724 175.250 0.474 18081 4929 1 8 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.373 -0.609 18081 4930 1 8 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.535 0.853 18081 4931 1 8 . 1 1 65 65 ILE H H 65 9.390 9.390 8.341 1.049 18081 4932 1 8 . 1 1 66 66 THR N N 66 119.455 119.455 120.980 -1.525 18081 4933 1 8 . 1 1 66 66 THR HA H 66 4.583 4.583 4.564 0.019 18081 4934 1 8 . 1 1 66 66 THR C C 66 170.978 170.978 172.440 -1.462 18081 4935 1 8 . 1 1 66 66 THR CA C 66 61.233 61.233 61.271 -0.038 18081 4936 1 8 . 1 1 66 66 THR CB C 66 70.456 70.456 69.803 0.653 18081 4937 1 8 . 1 1 66 66 THR H H 66 8.176 8.176 7.959 0.217 18081 4938 1 8 . 1 1 67 67 SER N N 67 115.523 115.523 121.542 -6.019 18081 4939 1 8 . 1 1 67 67 SER HA H 67 6.316 6.316 4.936 1.380 18081 4940 1 8 . 1 1 67 67 SER C C 67 174.516 174.516 172.772 1.744 18081 4941 1 8 . 1 1 67 67 SER CA C 67 51.222 51.222 55.343 -4.120 18081 4942 1 8 . 1 1 67 67 SER CB C 67 66.501 66.501 65.662 0.840 18081 4943 1 8 . 1 1 67 67 SER H H 67 7.190 7.190 8.109 -0.919 18081 4944 1 8 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.398 0.430 18081 4945 1 8 . 1 1 68 68 PRO C C 68 174.360 174.360 175.835 -1.475 18081 4946 1 8 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.779 -2.211 18081 4947 1 8 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.266 0.223 18081 4948 1 8 . 1 1 69 69 ASP N N 69 120.505 120.505 117.398 3.107 18081 4949 1 8 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.851 -0.103 18081 4950 1 8 . 1 1 69 69 ASP C C 69 173.775 173.775 174.328 -0.553 18081 4951 1 8 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.220 1.229 18081 4952 1 8 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.669 1.312 18081 4953 1 8 . 1 1 69 69 ASP H H 69 8.594 8.594 8.492 0.102 18081 4954 1 8 . 1 1 70 70 VAL N N 70 120.074 120.074 112.899 7.175 18081 4955 1 8 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.364 0.210 18081 4956 1 8 . 1 1 70 70 VAL C C 70 174.866 174.866 173.503 1.363 18081 4957 1 8 . 1 1 70 70 VAL CA C 70 59.231 59.231 59.867 -0.636 18081 4958 1 8 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.094 -0.034 18081 4959 1 8 . 1 1 70 70 VAL H H 70 10.855 10.855 7.431 3.424 18081 4960 1 8 . 1 1 71 71 ILE N N 71 121.272 121.272 120.074 1.198 18081 4961 1 8 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.390 0.048 18081 4962 1 8 . 1 1 71 71 ILE CA C 71 62.434 62.434 59.783 2.651 18081 4963 1 8 . 1 1 71 71 ILE CB C 71 38.521 38.521 38.742 -0.221 18081 4964 1 8 . 1 1 71 71 ILE H H 71 7.670 7.670 7.872 -0.202 18081 4965 1 8 . 1 1 73 73 GLY C C 73 172.580 172.580 172.872 -0.292 18081 4966 1 8 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.950 -0.536 18081 4967 1 8 . 1 1 74 74 PHE N N 74 123.714 123.714 116.794 6.920 18081 4968 1 8 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.686 -0.401 18081 4969 1 8 . 1 1 74 74 PHE C C 74 171.502 171.502 173.453 -1.951 18081 4970 1 8 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.135 3.562 18081 4971 1 8 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.709 -0.914 18081 4972 1 8 . 1 1 74 74 PHE H H 74 8.712 8.712 7.351 1.361 18081 4973 1 8 . 1 1 75 75 HIS N N 75 124.835 124.835 121.668 3.167 18081 4974 1 8 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.770 0.688 18081 4975 1 8 . 1 1 75 75 HIS C C 75 172.817 172.817 173.186 -0.369 18081 4976 1 8 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.130 -2.707 18081 4977 1 8 . 1 1 75 75 HIS CB C 75 29.523 29.523 32.703 -3.180 18081 4978 1 8 . 1 1 75 75 HIS H H 75 7.786 7.786 8.248 -0.462 18081 4979 1 8 . 1 1 76 76 VAL N N 76 124.569 124.569 124.664 -0.095 18081 4980 1 8 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.927 0.366 18081 4981 1 8 . 1 1 76 76 VAL C C 76 175.843 175.843 174.421 1.422 18081 4982 1 8 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.534 0.165 18081 4983 1 8 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.593 -4.225 18081 4984 1 8 . 1 1 76 76 VAL H H 76 6.558 6.558 7.750 -1.192 18081 4985 1 8 . 1 1 77 77 GLU N N 77 132.091 132.091 124.433 7.658 18081 4986 1 8 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.134 -0.245 18081 4987 1 8 . 1 1 77 77 GLU C C 77 176.941 176.941 177.872 -0.931 18081 4988 1 8 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.972 1.725 18081 4989 1 8 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.112 0.103 18081 4990 1 8 . 1 1 77 77 GLU H H 77 8.977 8.977 8.302 0.675 18081 4991 1 8 . 1 1 78 78 GLY N N 78 111.143 111.143 109.591 1.552 18081 4992 1 8 . 1 1 78 78 GLY C C 78 174.152 174.152 174.354 -0.202 18081 4993 1 8 . 1 1 78 78 GLY CA C 78 45.260 45.260 46.298 -1.038 18081 4994 1 8 . 1 1 78 78 GLY H H 78 8.052 8.052 8.810 -0.758 18081 4995 1 8 . 1 1 79 79 THR N N 79 109.705 109.705 119.018 -9.313 18081 4996 1 8 . 1 1 79 79 THR HA H 79 4.949 4.949 4.588 0.361 18081 4997 1 8 . 1 1 79 79 THR C C 79 173.397 173.397 174.239 -0.842 18081 4998 1 8 . 1 1 79 79 THR CA C 79 60.076 60.076 61.034 -0.958 18081 4999 1 8 . 1 1 79 79 THR CB C 79 72.829 72.829 71.126 1.703 18081 5000 1 8 . 1 1 79 79 THR H H 79 7.810 7.810 7.909 -0.099 18081 5001 1 8 . 1 1 80 80 ASN N N 80 116.427 116.427 122.617 -6.190 18081 5002 1 8 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.771 0.149 18081 5003 1 8 . 1 1 80 80 ASN C C 80 175.665 175.665 174.660 1.005 18081 5004 1 8 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.089 -1.065 18081 5005 1 8 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.870 -0.338 18081 5006 1 8 . 1 1 80 80 ASN H H 80 7.856 7.856 8.700 -0.844 18081 5007 1 8 . 1 1 81 81 ILE N N 81 121.552 121.552 121.295 0.257 18081 5008 1 8 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.972 -0.175 18081 5009 1 8 . 1 1 81 81 ILE C C 81 176.564 176.564 174.797 1.767 18081 5010 1 8 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.920 0.603 18081 5011 1 8 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.485 -0.384 18081 5012 1 8 . 1 1 81 81 ILE H H 81 8.493 8.493 7.410 1.083 18081 5013 1 8 . 1 1 82 82 ASN N N 82 131.507 131.507 128.082 3.425 18081 5014 1 8 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.874 0.277 18081 5015 1 8 . 1 1 82 82 ASN C C 82 173.025 173.025 174.340 -1.315 18081 5016 1 8 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.818 2.449 18081 5017 1 8 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.691 1.115 18081 5018 1 8 . 1 1 82 82 ASN H H 82 8.911 8.911 8.408 0.503 18081 5019 1 8 . 1 1 83 83 VAL N N 83 120.866 120.866 118.686 2.180 18081 5020 1 8 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.450 0.215 18081 5021 1 8 . 1 1 83 83 VAL C C 83 173.954 173.954 174.119 -0.165 18081 5022 1 8 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.149 -1.029 18081 5023 1 8 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.139 3.514 18081 5024 1 8 . 1 1 83 83 VAL H H 83 8.356 8.356 7.705 0.651 18081 5025 1 8 . 1 1 84 84 GLU N N 84 125.997 125.997 126.466 -0.469 18081 5026 1 8 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.442 0.145 18081 5027 1 8 . 1 1 84 84 GLU C C 84 174.600 174.600 174.466 0.134 18081 5028 1 8 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.576 -0.549 18081 5029 1 8 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.619 -0.810 18081 5030 1 8 . 1 1 84 84 GLU H H 84 8.534 8.534 8.366 0.168 18081 5031 1 8 . 1 1 85 85 VAL N N 85 125.888 125.888 124.502 1.386 18081 5032 1 8 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.292 -0.243 18081 5033 1 8 . 1 1 85 85 VAL C C 85 173.256 173.256 174.894 -1.638 18081 5034 1 8 . 1 1 85 85 VAL CA C 85 61.517 61.517 61.288 0.228 18081 5035 1 8 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.490 -1.704 18081 5036 1 8 . 1 1 85 85 VAL H H 85 8.782 8.782 8.219 0.563 18081 5037 1 8 . 1 1 86 86 LEU N N 86 128.745 128.745 125.360 3.385 18081 5038 1 8 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.537 0.264 18081 5039 1 8 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.302 -1.368 18081 5040 1 8 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.766 0.644 18081 5041 1 8 . 1 1 86 86 LEU H H 86 9.131 9.131 8.411 0.720 18081 5042 1 8 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.288 0.376 18081 5043 1 8 . 1 1 87 87 PRO C C 87 178.454 178.454 176.911 1.543 18081 5044 1 8 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.053 -0.441 18081 5045 1 8 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.238 -1.033 18081 5046 1 8 . 1 1 88 88 GLY N N 88 112.804 112.804 108.434 4.370 18081 5047 1 8 . 1 1 88 88 GLY C C 88 173.451 173.451 172.895 0.556 18081 5048 1 8 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.059 0.023 18081 5049 1 8 . 1 1 88 88 GLY H H 88 9.103 9.103 8.539 0.564 18081 5050 1 8 . 1 1 89 89 GLU N N 89 118.355 118.355 116.031 2.324 18081 5051 1 8 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.515 0.585 18081 5052 1 8 . 1 1 89 89 GLU C C 89 176.719 176.719 174.352 2.367 18081 5053 1 8 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.703 -0.455 18081 5054 1 8 . 1 1 89 89 GLU CB C 89 32.863 32.863 31.942 0.921 18081 5055 1 8 . 1 1 89 89 GLU H H 89 7.764 7.764 7.402 0.362 18081 5056 1 8 . 1 1 90 90 VAL N N 90 127.142 127.142 125.716 1.426 18081 5057 1 8 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.272 0.228 18081 5058 1 8 . 1 1 90 90 VAL C C 90 176.838 176.838 176.039 0.799 18081 5059 1 8 . 1 1 90 90 VAL CA C 90 61.856 61.856 62.852 -0.996 18081 5060 1 8 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.623 0.515 18081 5061 1 8 . 1 1 90 90 VAL H H 90 8.830 8.830 8.091 0.739 18081 5062 1 8 . 1 1 91 91 SER N N 91 127.859 127.859 125.344 2.515 18081 5063 1 8 . 1 1 91 91 SER HA H 91 4.924 4.924 4.709 0.215 18081 5064 1 8 . 1 1 91 91 SER C C 91 173.015 173.015 173.853 -0.838 18081 5065 1 8 . 1 1 91 91 SER CA C 91 58.118 58.118 57.971 0.147 18081 5066 1 8 . 1 1 91 91 SER CB C 91 63.931 63.931 64.101 -0.170 18081 5067 1 8 . 1 1 91 91 SER H H 91 9.710 9.710 9.154 0.556 18081 5068 1 8 . 1 1 92 92 THR N N 92 122.627 122.627 117.302 5.325 18081 5069 1 8 . 1 1 92 92 THR HA H 92 5.682 5.682 5.546 0.136 18081 5070 1 8 . 1 1 92 92 THR C C 92 174.480 174.480 174.043 0.437 18081 5071 1 8 . 1 1 92 92 THR CA C 92 61.856 61.856 61.323 0.533 18081 5072 1 8 . 1 1 92 92 THR CB C 92 70.160 70.160 71.499 -1.338 18081 5073 1 8 . 1 1 92 92 THR H H 92 8.864 8.864 8.302 0.562 18081 5074 1 8 . 1 1 93 93 VAL N N 93 126.698 126.698 125.251 1.447 18081 5075 1 8 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.419 0.088 18081 5076 1 8 . 1 1 93 93 VAL C C 93 173.002 173.002 174.542 -1.540 18081 5077 1 8 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.092 -0.438 18081 5078 1 8 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.608 0.045 18081 5079 1 8 . 1 1 93 93 VAL H H 93 8.806 8.806 8.459 0.347 18081 5080 1 8 . 1 1 94 94 ARG N N 94 126.396 126.396 126.727 -0.331 18081 5081 1 8 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.408 0.482 18081 5082 1 8 . 1 1 94 94 ARG C C 94 175.885 175.885 175.556 0.329 18081 5083 1 8 . 1 1 94 94 ARG CA C 94 54.381 54.381 55.105 -0.724 18081 5084 1 8 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.123 2.465 18081 5085 1 8 . 1 1 94 94 ARG H H 94 8.630 8.630 8.666 -0.036 18081 5086 1 8 . 1 1 95 95 TYR N N 95 126.390 126.390 126.990 -0.600 18081 5087 1 8 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.766 -0.446 18081 5088 1 8 . 1 1 95 95 TYR C C 95 172.683 172.683 173.896 -1.213 18081 5089 1 8 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.947 1.639 18081 5090 1 8 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.006 3.447 18081 5091 1 8 . 1 1 95 95 TYR H H 95 9.623 9.623 8.138 1.485 18081 5092 1 8 . 1 1 96 96 THR N N 96 121.396 121.396 121.216 0.180 18081 5093 1 8 . 1 1 96 96 THR HA H 96 4.684 4.684 4.655 0.029 18081 5094 1 8 . 1 1 96 96 THR C C 96 172.729 172.729 172.978 -0.249 18081 5095 1 8 . 1 1 96 96 THR CA C 96 61.322 61.322 60.810 0.512 18081 5096 1 8 . 1 1 96 96 THR CB C 96 70.160 70.160 71.006 -0.846 18081 5097 1 8 . 1 1 96 96 THR H H 96 6.742 6.742 7.803 -1.061 18081 5098 1 8 . 1 1 97 97 PHE N N 97 126.539 126.539 124.676 1.863 18081 5099 1 8 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.580 -0.127 18081 5100 1 8 . 1 1 97 97 PHE C C 97 176.075 176.075 175.329 0.746 18081 5101 1 8 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.378 1.829 18081 5102 1 8 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.724 -1.816 18081 5103 1 8 . 1 1 97 97 PHE H H 97 8.933 8.933 8.661 0.272 18081 5104 1 8 . 1 1 98 98 LYS N N 98 123.417 123.417 118.500 4.917 18081 5105 1 8 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.340 0.053 18081 5106 1 8 . 1 1 98 98 LYS C C 98 175.939 175.939 175.910 0.029 18081 5107 1 8 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.541 0.242 18081 5108 1 8 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.462 -0.478 18081 5109 1 8 . 1 1 98 98 LYS H H 98 8.604 8.604 8.212 0.392 18081 5110 1 8 . 1 1 99 99 ARG N N 99 118.424 118.424 119.628 -1.204 18081 5111 1 8 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.661 0.359 18081 5112 1 8 . 1 1 99 99 ARG C C 99 174.332 174.332 173.596 0.736 18081 5113 1 8 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.354 -0.753 18081 5114 1 8 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.631 -0.031 18081 5115 1 8 . 1 1 99 99 ARG H H 99 7.801 7.801 7.562 0.239 18081 5116 1 8 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.399 -0.016 18081 5117 1 8 . 1 1 100 100 PRO C C 100 175.190 175.190 176.840 -1.650 18081 5118 1 8 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.734 -0.166 18081 5119 1 8 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.392 0.196 18081 5120 1 8 . 1 1 101 101 GLY N N 101 108.626 108.626 108.822 -0.196 18081 5121 1 8 . 1 1 101 101 GLY C C 101 171.375 171.375 172.779 -1.404 18081 5122 1 8 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.801 -0.698 18081 5123 1 8 . 1 1 101 101 GLY H H 101 8.685 8.685 7.764 0.921 18081 5124 1 8 . 1 1 102 102 GLU N N 102 119.327 119.327 122.803 -3.476 18081 5125 1 8 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.188 0.963 18081 5126 1 8 . 1 1 102 102 GLU C C 102 176.066 176.066 174.718 1.348 18081 5127 1 8 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.216 0.188 18081 5128 1 8 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.381 -0.177 18081 5129 1 8 . 1 1 102 102 GLU H H 102 8.144 8.144 8.390 -0.246 18081 5130 1 8 . 1 1 103 103 TYR N N 103 125.807 125.807 118.927 6.880 18081 5131 1 8 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.904 -0.258 18081 5132 1 8 . 1 1 103 103 TYR C C 103 174.711 174.711 174.002 0.709 18081 5133 1 8 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.663 -0.325 18081 5134 1 8 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.511 -0.322 18081 5135 1 8 . 1 1 103 103 TYR H H 103 9.687 9.687 7.390 2.297 18081 5136 1 8 . 1 1 104 104 ARG N N 104 124.463 124.463 120.818 3.645 18081 5137 1 8 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.197 -0.570 18081 5138 1 8 . 1 1 104 104 ARG C C 104 174.570 174.570 174.862 -0.292 18081 5139 1 8 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.495 1.270 18081 5140 1 8 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.445 -0.747 18081 5141 1 8 . 1 1 104 104 ARG H H 104 8.902 8.902 8.550 0.352 18081 5142 1 8 . 1 1 105 105 ILE N N 105 124.589 124.589 124.171 0.418 18081 5143 1 8 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.479 -0.110 18081 5144 1 8 . 1 1 105 105 ILE C C 105 175.576 175.576 173.162 2.414 18081 5145 1 8 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.562 -1.627 18081 5146 1 8 . 1 1 105 105 ILE CB C 105 39.811 39.811 41.284 -1.473 18081 5147 1 8 . 1 1 105 105 ILE H H 105 8.289 8.289 8.624 -0.335 18081 5148 1 8 . 1 1 106 106 ILE N N 106 121.777 121.777 126.400 -4.623 18081 5149 1 8 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.518 0.520 18081 5150 1 8 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.253 -1.030 18081 5151 1 8 . 1 1 106 106 ILE CB C 106 42.475 42.475 40.462 2.013 18081 5152 1 8 . 1 1 106 106 ILE H H 106 8.765 8.765 8.350 0.415 18081 5153 1 8 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.613 -0.491 18081 5154 1 8 . 1 1 109 109 GLN C C 109 175.724 175.724 174.981 0.743 18081 5155 1 8 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.346 0.126 18081 5156 1 8 . 1 1 109 109 GLN CB C 109 29.128 29.128 31.218 -2.091 18081 5157 1 8 . 1 1 110 110 TYR N N 110 120.856 120.856 115.417 5.439 18081 5158 1 8 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.540 -0.051 18081 5159 1 8 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.792 -1.807 18081 5160 1 8 . 1 1 110 110 TYR CB C 110 37.927 37.927 39.608 -1.681 18081 5161 1 8 . 1 1 110 110 TYR H H 110 8.191 8.191 7.837 0.354 18081 5162 1 8 . 1 1 111 111 CYS N N 111 120.561 120.561 119.204 1.357 18081 5163 1 8 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.561 -0.178 18081 5164 1 8 . 1 1 111 111 CYS C C 111 174.692 174.692 175.683 -0.991 18081 5165 1 8 . 1 1 111 111 CYS CA C 111 58.617 58.617 61.087 -2.470 18081 5166 1 8 . 1 1 111 111 CYS CB C 111 27.976 27.976 30.266 -2.290 18081 5167 1 8 . 1 1 111 111 CYS H H 111 8.166 8.166 8.871 -0.705 18081 5168 1 8 . 1 1 112 112 GLY N N 112 111.467 111.467 107.731 3.736 18081 5169 1 8 . 1 1 112 112 GLY C C 112 173.900 173.900 172.030 1.870 18081 5170 1 8 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.578 0.567 18081 5171 1 8 . 1 1 112 112 GLY H H 112 8.239 8.239 7.719 0.520 18081 5172 1 8 . 1 1 113 113 LEU N N 113 122.150 122.150 117.065 5.085 18081 5173 1 8 . 1 1 113 113 LEU HA H 113 4.324 4.324 5.164 -0.840 18081 5174 1 8 . 1 1 113 113 LEU C C 113 178.068 178.068 175.305 2.763 18081 5175 1 8 . 1 1 113 113 LEU CA C 113 55.718 55.718 54.430 1.288 18081 5176 1 8 . 1 1 113 113 LEU CB C 113 42.079 42.079 43.255 -1.176 18081 5177 1 8 . 1 1 113 113 LEU H H 113 8.179 8.179 8.221 -0.042 18081 5178 1 8 . 1 1 114 114 GLY N N 114 109.278 109.278 105.685 3.593 18081 5179 1 8 . 1 1 114 114 GLY C C 114 174.142 174.142 173.211 0.931 18081 5180 1 8 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.772 0.577 18081 5181 1 8 . 1 1 114 114 GLY H H 114 8.393 8.393 8.202 0.191 18081 5182 1 8 . 1 1 117 117 ASN N N 117 120.387 120.387 118.825 1.562 18081 5183 1 8 . 1 1 117 117 ASN HA H 117 4.678 4.678 5.072 -0.394 18081 5184 1 8 . 1 1 117 117 ASN C C 117 174.422 174.422 174.586 -0.164 18081 5185 1 8 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.276 -0.097 18081 5186 1 8 . 1 1 117 117 ASN CB C 117 39.015 39.015 40.469 -1.454 18081 5187 1 8 . 1 1 117 117 ASN H H 117 8.522 8.522 7.843 0.679 18081 5188 1 8 . 1 1 118 118 MET N N 118 120.526 120.526 122.446 -1.920 18081 5189 1 8 . 1 1 118 118 MET C C 118 173.321 173.321 175.289 -1.968 18081 5190 1 8 . 1 1 118 118 MET CA C 118 55.360 55.360 55.361 -0.001 18081 5191 1 8 . 1 1 118 118 MET CB C 118 34.467 34.467 33.713 0.754 18081 5192 1 8 . 1 1 118 118 MET H H 118 7.981 7.981 8.353 -0.372 18081 5193 1 8 . 1 1 119 119 PHE N N 119 119.704 119.704 118.864 0.840 18081 5194 1 8 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.458 1.364 18081 5195 1 8 . 1 1 119 119 PHE C C 119 174.894 174.894 175.805 -0.911 18081 5196 1 8 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.595 -1.479 18081 5197 1 8 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.764 2.613 18081 5198 1 8 . 1 1 119 119 PHE H H 119 8.068 8.068 8.645 -0.577 18081 5199 1 8 . 1 1 120 120 GLY N N 120 109.869 109.869 113.526 -3.657 18081 5200 1 8 . 1 1 120 120 GLY C C 120 172.817 172.817 173.707 -0.890 18081 5201 1 8 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.360 -0.079 18081 5202 1 8 . 1 1 120 120 GLY H H 120 8.984 8.984 8.645 0.339 18081 5203 1 8 . 1 1 121 121 THR N N 121 115.820 115.820 119.908 -4.088 18081 5204 1 8 . 1 1 121 121 THR HA H 121 5.068 5.068 4.711 0.357 18081 5205 1 8 . 1 1 121 121 THR C C 121 173.062 173.062 173.913 -0.851 18081 5206 1 8 . 1 1 121 121 THR CA C 121 62.745 62.745 61.993 0.752 18081 5207 1 8 . 1 1 121 121 THR CB C 121 72.533 72.533 70.241 2.292 18081 5208 1 8 . 1 1 121 121 THR H H 121 8.123 8.123 7.947 0.176 18081 5209 1 8 . 1 1 122 122 ILE N N 122 127.420 127.420 124.905 2.515 18081 5210 1 8 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.263 0.572 18081 5211 1 8 . 1 1 122 122 ILE C C 122 174.260 174.260 173.886 0.374 18081 5212 1 8 . 1 1 122 122 ILE CA C 122 60.076 60.076 59.028 1.048 18081 5213 1 8 . 1 1 122 122 ILE CB C 122 40.399 40.399 41.632 -1.232 18081 5214 1 8 . 1 1 122 122 ILE H H 122 9.152 9.152 8.051 1.101 18081 5215 1 8 . 1 1 123 123 VAL N N 123 130.032 130.032 124.446 5.586 18081 5216 1 8 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.212 0.167 18081 5217 1 8 . 1 1 123 123 VAL C C 123 174.012 174.012 173.812 0.200 18081 5218 1 8 . 1 1 123 123 VAL CA C 123 61.811 61.811 61.196 0.615 18081 5219 1 8 . 1 1 123 123 VAL CB C 123 33.280 33.280 34.114 -0.834 18081 5220 1 8 . 1 1 123 123 VAL H H 123 9.601 9.601 8.408 1.193 18081 5221 1 8 . 1 1 124 124 VAL N N 124 128.765 128.765 128.368 0.397 18081 5222 1 8 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.429 0.270 18081 5223 1 8 . 1 1 124 124 VAL C C 124 177.239 177.239 175.439 1.800 18081 5224 1 8 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.244 -0.679 18081 5225 1 8 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.196 -1.893 18081 5226 1 8 . 1 1 124 124 VAL H H 124 9.056 9.056 8.443 0.613 18081 5227 1 8 . 1 1 125 125 LYS N N 125 129.953 129.953 127.799 2.154 18081 5228 1 8 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.606 -0.265 18081 5229 1 8 . 1 1 125 125 LYS C C 125 175.317 175.317 176.071 -0.754 18081 5230 1 8 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.913 1.536 18081 5231 1 8 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.213 0.364 18081 5232 1 8 . 1 1 125 125 LYS H H 125 8.854 8.854 8.640 0.214 18081 5233 1 9 . 1 1 2 2 VAL N N 2 126.137 126.137 124.119 2.018 18081 5234 1 9 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.166 -0.140 18081 5235 1 9 . 1 1 2 2 VAL C C 2 176.484 176.484 175.298 1.186 18081 5236 1 9 . 1 1 2 2 VAL CA C 2 62.568 62.568 63.135 -0.567 18081 5237 1 9 . 1 1 2 2 VAL CB C 2 32.391 32.391 29.996 2.395 18081 5238 1 9 . 1 1 2 2 VAL H H 2 8.035 8.035 8.158 -0.123 18081 5239 1 9 . 1 1 3 3 ILE N N 3 124.059 124.059 122.260 1.799 18081 5240 1 9 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.575 -0.080 18081 5241 1 9 . 1 1 3 3 ILE C C 3 174.606 174.606 174.468 0.138 18081 5242 1 9 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.634 -0.249 18081 5243 1 9 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.573 0.948 18081 5244 1 9 . 1 1 3 3 ILE H H 3 7.856 7.856 7.596 0.260 18081 5245 1 9 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.574 -0.201 18081 5246 1 9 . 1 1 4 4 PRO C C 4 176.585 176.585 176.145 0.440 18081 5247 1 9 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.934 0.256 18081 5248 1 9 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.449 -0.485 18081 5249 1 9 . 1 1 5 5 ALA N N 5 125.371 125.371 120.649 4.722 18081 5250 1 9 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.272 0.015 18081 5251 1 9 . 1 1 5 5 ALA C C 5 178.454 178.454 179.465 -1.011 18081 5252 1 9 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.501 0.234 18081 5253 1 9 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.097 -0.054 18081 5254 1 9 . 1 1 5 5 ALA H H 5 8.458 8.458 8.308 0.150 18081 5255 1 9 . 1 1 6 6 GLY N N 6 108.626 108.626 108.024 0.602 18081 5256 1 9 . 1 1 6 6 GLY C C 6 173.996 173.996 175.196 -1.200 18081 5257 1 9 . 1 1 6 6 GLY CA C 6 45.171 45.171 46.300 -1.129 18081 5258 1 9 . 1 1 6 6 GLY H H 6 8.378 8.378 8.286 0.092 18081 5259 1 9 . 1 1 7 7 LYS N N 7 121.320 121.320 118.408 2.912 18081 5260 1 9 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.389 -0.060 18081 5261 1 9 . 1 1 7 7 LYS C C 7 176.362 176.362 175.343 1.019 18081 5262 1 9 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.006 0.110 18081 5263 1 9 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.828 -0.844 18081 5264 1 9 . 1 1 7 7 LYS H H 7 7.976 7.976 7.780 0.196 18081 5265 1 9 . 1 1 8 8 LEU N N 8 124.548 124.548 117.833 6.715 18081 5266 1 9 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.196 0.195 18081 5267 1 9 . 1 1 8 8 LEU C C 8 176.772 176.772 174.938 1.834 18081 5268 1 9 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.695 -0.513 18081 5269 1 9 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.147 0.328 18081 5270 1 9 . 1 1 8 8 LEU H H 8 8.283 8.283 8.358 -0.075 18081 5271 1 9 . 1 1 9 9 GLU N N 9 124.888 124.888 121.061 3.827 18081 5272 1 9 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.680 -0.290 18081 5273 1 9 . 1 1 9 9 GLU C C 9 174.919 174.919 175.614 -0.695 18081 5274 1 9 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.486 0.986 18081 5275 1 9 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.820 -2.209 18081 5276 1 9 . 1 1 9 9 GLU H H 9 8.679 8.679 8.653 0.026 18081 5277 1 9 . 1 1 10 10 ARG N N 10 123.557 123.557 123.720 -0.163 18081 5278 1 9 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.508 0.464 18081 5279 1 9 . 1 1 10 10 ARG C C 10 175.727 175.727 175.696 0.031 18081 5280 1 9 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.647 -0.562 18081 5281 1 9 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.703 0.842 18081 5282 1 9 . 1 1 10 10 ARG H H 10 8.248 8.248 8.635 -0.387 18081 5283 1 9 . 1 1 11 11 VAL N N 11 118.077 118.077 117.095 0.982 18081 5284 1 9 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.461 -0.081 18081 5285 1 9 . 1 1 11 11 VAL C C 11 173.297 173.297 173.708 -0.411 18081 5286 1 9 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.697 -0.111 18081 5287 1 9 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.847 -0.084 18081 5288 1 9 . 1 1 11 11 VAL H H 11 8.039 8.039 7.898 0.141 18081 5289 1 9 . 1 1 12 12 ASP N N 12 123.786 123.786 117.832 5.954 18081 5290 1 9 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.069 -0.118 18081 5291 1 9 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.847 -1.248 18081 5292 1 9 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.851 -2.463 18081 5293 1 9 . 1 1 12 12 ASP H H 12 8.313 8.313 8.268 0.045 18081 5294 1 9 . 1 1 13 13 PRO C C 13 177.705 177.705 177.394 0.311 18081 5295 1 9 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.151 0.588 18081 5296 1 9 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.925 -0.303 18081 5297 1 9 . 1 1 14 14 THR N N 14 109.188 109.188 115.119 -5.931 18081 5298 1 9 . 1 1 14 14 THR HA H 14 4.252 4.252 4.077 0.175 18081 5299 1 9 . 1 1 14 14 THR C C 14 176.733 176.733 175.324 1.409 18081 5300 1 9 . 1 1 14 14 THR CA C 14 63.996 63.996 65.153 -1.157 18081 5301 1 9 . 1 1 14 14 THR CB C 14 69.270 69.270 68.782 0.488 18081 5302 1 9 . 1 1 14 14 THR H H 14 8.413 8.413 8.234 0.179 18081 5303 1 9 . 1 1 15 15 THR N N 15 108.904 108.904 109.848 -0.944 18081 5304 1 9 . 1 1 15 15 THR HA H 15 4.733 4.733 4.445 0.288 18081 5305 1 9 . 1 1 15 15 THR C C 15 177.174 177.174 174.219 2.955 18081 5306 1 9 . 1 1 15 15 THR CA C 15 61.589 61.589 61.863 -0.274 18081 5307 1 9 . 1 1 15 15 THR CB C 15 70.654 70.654 69.120 1.534 18081 5308 1 9 . 1 1 15 15 THR H H 15 7.413 7.413 7.808 -0.395 18081 5309 1 9 . 1 1 16 16 VAL N N 16 122.387 122.387 123.375 -0.988 18081 5310 1 9 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.855 0.343 18081 5311 1 9 . 1 1 16 16 VAL C C 16 175.683 175.683 175.284 0.399 18081 5312 1 9 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.632 -0.180 18081 5313 1 9 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.240 -0.739 18081 5314 1 9 . 1 1 16 16 VAL H H 16 7.143 7.143 7.350 -0.207 18081 5315 1 9 . 1 1 17 17 ARG N N 17 115.917 115.917 116.469 -0.552 18081 5316 1 9 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.270 0.001 18081 5317 1 9 . 1 1 17 17 ARG C C 17 175.861 175.861 178.157 -2.296 18081 5318 1 9 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.679 -0.629 18081 5319 1 9 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.366 0.660 18081 5320 1 9 . 1 1 17 17 ARG H H 17 8.227 8.227 8.248 -0.021 18081 5321 1 9 . 1 1 18 18 GLN N N 18 117.044 117.044 117.501 -0.457 18081 5322 1 9 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.312 0.087 18081 5323 1 9 . 1 1 18 18 GLN C C 18 175.506 175.506 175.420 0.086 18081 5324 1 9 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.197 -0.058 18081 5325 1 9 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.392 1.417 18081 5326 1 9 . 1 1 18 18 GLN H H 18 7.765 7.765 8.038 -0.273 18081 5327 1 9 . 1 1 19 19 GLU N N 19 118.659 118.659 118.786 -0.127 18081 5328 1 9 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.399 0.160 18081 5329 1 9 . 1 1 19 19 GLU C C 19 175.081 175.081 175.185 -0.104 18081 5330 1 9 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.708 -0.526 18081 5331 1 9 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.644 0.747 18081 5332 1 9 . 1 1 19 19 GLU H H 19 8.070 8.070 7.839 0.231 18081 5333 1 9 . 1 1 20 20 GLY N N 20 113.694 113.694 112.592 1.102 18081 5334 1 9 . 1 1 20 20 GLY C C 20 174.150 174.150 172.361 1.789 18081 5335 1 9 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.816 -0.268 18081 5336 1 9 . 1 1 20 20 GLY H H 20 8.933 8.933 8.108 0.825 18081 5337 1 9 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.198 -0.525 18081 5338 1 9 . 1 1 21 21 PRO C C 21 176.703 176.703 176.955 -0.252 18081 5339 1 9 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.815 0.066 18081 5340 1 9 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.091 -1.054 18081 5341 1 9 . 1 1 22 22 TRP N N 22 117.898 117.898 116.036 1.862 18081 5342 1 9 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.616 -0.301 18081 5343 1 9 . 1 1 22 22 TRP C C 22 174.965 174.965 176.750 -1.785 18081 5344 1 9 . 1 1 22 22 TRP CA C 22 60.521 60.521 58.099 2.422 18081 5345 1 9 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.726 0.545 18081 5346 1 9 . 1 1 22 22 TRP H H 22 8.759 8.759 8.073 0.686 18081 5347 1 9 . 1 1 23 23 ALA N N 23 120.887 120.887 122.003 -1.116 18081 5348 1 9 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.538 -0.614 18081 5349 1 9 . 1 1 23 23 ALA C C 23 177.520 177.520 178.409 -0.889 18081 5350 1 9 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.092 1.689 18081 5351 1 9 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.394 -0.846 18081 5352 1 9 . 1 1 23 23 ALA H H 23 7.232 7.232 7.027 0.205 18081 5353 1 9 . 1 1 24 24 ASP N N 24 115.176 115.176 118.589 -3.413 18081 5354 1 9 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.051 0.135 18081 5355 1 9 . 1 1 24 24 ASP C C 24 176.860 176.860 176.307 0.553 18081 5356 1 9 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.922 -2.302 18081 5357 1 9 . 1 1 24 24 ASP CB C 24 41.487 41.487 41.806 -0.319 18081 5358 1 9 . 1 1 24 24 ASP H H 24 7.718 7.718 7.545 0.173 18081 5359 1 9 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.372 -0.073 18081 5360 1 9 . 1 1 25 25 PRO C C 25 177.445 177.445 177.693 -0.248 18081 5361 1 9 . 1 1 25 25 PRO CA C 25 64.481 64.481 65.018 -0.537 18081 5362 1 9 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.069 -0.173 18081 5363 1 9 . 1 1 26 26 ALA N N 26 120.150 120.150 120.045 0.105 18081 5364 1 9 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.287 0.018 18081 5365 1 9 . 1 1 26 26 ALA C C 26 179.061 179.061 178.290 0.771 18081 5366 1 9 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.884 -0.037 18081 5367 1 9 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.100 0.152 18081 5368 1 9 . 1 1 26 26 ALA H H 26 8.158 8.158 8.070 0.088 18081 5369 1 9 . 1 1 27 27 GLN N N 27 117.617 117.617 116.583 1.034 18081 5370 1 9 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.305 0.390 18081 5371 1 9 . 1 1 27 27 GLN C C 27 175.309 175.309 176.292 -0.983 18081 5372 1 9 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.445 -1.187 18081 5373 1 9 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.416 0.316 18081 5374 1 9 . 1 1 27 27 GLN H H 27 7.732 7.732 7.535 0.197 18081 5375 1 9 . 1 1 28 28 ALA N N 28 122.069 122.069 122.534 -0.465 18081 5376 1 9 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.304 0.077 18081 5377 1 9 . 1 1 28 28 ALA C C 28 176.358 176.358 177.495 -1.137 18081 5378 1 9 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.440 1.142 18081 5379 1 9 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.353 1.568 18081 5380 1 9 . 1 1 28 28 ALA H H 28 6.996 6.996 7.303 -0.307 18081 5381 1 9 . 1 1 29 29 VAL N N 29 114.478 114.478 117.540 -3.062 18081 5382 1 9 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.616 0.091 18081 5383 1 9 . 1 1 29 29 VAL C C 29 176.252 176.252 175.268 0.984 18081 5384 1 9 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.986 1.004 18081 5385 1 9 . 1 1 29 29 VAL CB C 29 31.600 31.600 33.062 -1.462 18081 5386 1 9 . 1 1 29 29 VAL H H 29 7.868 7.868 7.917 -0.049 18081 5387 1 9 . 1 1 30 30 VAL N N 30 129.718 129.718 127.541 2.177 18081 5388 1 9 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.439 -0.052 18081 5389 1 9 . 1 1 30 30 VAL C C 30 175.107 175.107 174.913 0.194 18081 5390 1 9 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.246 0.497 18081 5391 1 9 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.768 -0.510 18081 5392 1 9 . 1 1 30 30 VAL H H 30 9.556 9.556 8.309 1.247 18081 5393 1 9 . 1 1 31 31 GLN N N 31 129.372 129.372 124.615 4.757 18081 5394 1 9 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.322 -0.181 18081 5395 1 9 . 1 1 31 31 GLN C C 31 176.413 176.413 175.746 0.667 18081 5396 1 9 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.335 -0.285 18081 5397 1 9 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.616 -1.565 18081 5398 1 9 . 1 1 31 31 GLN H H 31 9.153 9.153 8.746 0.407 18081 5399 1 9 . 1 1 32 32 THR N N 32 119.775 119.775 119.487 0.288 18081 5400 1 9 . 1 1 32 32 THR HA H 32 4.392 4.392 4.486 -0.094 18081 5401 1 9 . 1 1 32 32 THR C C 32 174.102 174.102 174.241 -0.139 18081 5402 1 9 . 1 1 32 32 THR CA C 32 61.678 61.678 61.732 -0.054 18081 5403 1 9 . 1 1 32 32 THR CB C 32 68.775 68.775 69.982 -1.207 18081 5404 1 9 . 1 1 32 32 THR H H 32 8.266 8.266 8.058 0.208 18081 5405 1 9 . 1 1 33 33 GLY N N 33 111.761 111.761 109.500 2.261 18081 5406 1 9 . 1 1 33 33 GLY C C 33 170.586 170.586 172.820 -2.234 18081 5407 1 9 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.372 1.710 18081 5408 1 9 . 1 1 33 33 GLY H H 33 7.997 7.997 7.379 0.618 18081 5409 1 9 . 1 1 34 34 PRO C C 34 176.674 176.674 176.186 0.488 18081 5410 1 9 . 1 1 34 34 PRO CA C 34 64.881 64.881 63.944 0.937 18081 5411 1 9 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.317 -0.956 18081 5412 1 9 . 1 1 35 35 ASN N N 35 117.681 117.681 114.269 3.412 18081 5413 1 9 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.732 0.122 18081 5414 1 9 . 1 1 35 35 ASN C C 35 173.262 173.262 172.839 0.423 18081 5415 1 9 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.771 -0.648 18081 5416 1 9 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.120 0.636 18081 5417 1 9 . 1 1 35 35 ASN H H 35 8.649 8.649 8.345 0.304 18081 5418 1 9 . 1 1 36 36 GLN N N 36 119.276 119.276 116.471 2.805 18081 5419 1 9 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.230 0.337 18081 5420 1 9 . 1 1 36 36 GLN C C 36 173.292 173.292 173.190 0.102 18081 5421 1 9 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.033 0.570 18081 5422 1 9 . 1 1 36 36 GLN CB C 36 33.874 33.874 32.886 0.988 18081 5423 1 9 . 1 1 36 36 GLN H H 36 6.953 6.953 6.877 0.076 18081 5424 1 9 . 1 1 37 37 TYR N N 37 125.339 125.339 117.744 7.595 18081 5425 1 9 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.009 0.055 18081 5426 1 9 . 1 1 37 37 TYR C C 37 174.321 174.321 175.148 -0.827 18081 5427 1 9 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.551 -0.079 18081 5428 1 9 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.213 -1.517 18081 5429 1 9 . 1 1 37 37 TYR H H 37 8.898 8.898 8.420 0.478 18081 5430 1 9 . 1 1 38 38 THR N N 38 121.935 121.935 120.456 1.479 18081 5431 1 9 . 1 1 38 38 THR HA H 38 5.098 5.098 4.359 0.739 18081 5432 1 9 . 1 1 38 38 THR C C 38 172.253 172.253 174.140 -1.887 18081 5433 1 9 . 1 1 38 38 THR CA C 38 61.589 61.589 62.408 -0.819 18081 5434 1 9 . 1 1 38 38 THR CB C 38 69.764 69.764 68.279 1.485 18081 5435 1 9 . 1 1 38 38 THR H H 38 9.592 9.592 8.780 0.812 18081 5436 1 9 . 1 1 39 39 VAL N N 39 126.189 126.189 127.037 -0.848 18081 5437 1 9 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.032 1.069 18081 5438 1 9 . 1 1 39 39 VAL C C 39 174.612 174.612 174.175 0.437 18081 5439 1 9 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.724 -2.093 18081 5440 1 9 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.872 1.199 18081 5441 1 9 . 1 1 39 39 VAL H H 39 8.710 8.710 7.568 1.142 18081 5442 1 9 . 1 1 40 40 TYR N N 40 130.243 130.243 124.337 5.906 18081 5443 1 9 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.073 -0.432 18081 5444 1 9 . 1 1 40 40 TYR C C 40 174.840 174.840 175.756 -0.916 18081 5445 1 9 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.728 1.924 18081 5446 1 9 . 1 1 40 40 TYR CB C 40 36.840 36.840 40.150 -3.310 18081 5447 1 9 . 1 1 40 40 TYR H H 40 9.139 9.139 8.238 0.901 18081 5448 1 9 . 1 1 41 41 VAL N N 41 124.415 124.415 118.946 5.469 18081 5449 1 9 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.908 0.432 18081 5450 1 9 . 1 1 41 41 VAL C C 41 175.680 175.680 174.251 1.429 18081 5451 1 9 . 1 1 41 41 VAL CA C 41 60.254 60.254 60.671 -0.417 18081 5452 1 9 . 1 1 41 41 VAL CB C 41 34.862 34.862 35.806 -0.944 18081 5453 1 9 . 1 1 41 41 VAL H H 41 8.686 8.686 9.230 -0.544 18081 5454 1 9 . 1 1 42 42 LEU N N 42 129.148 129.148 126.707 2.441 18081 5455 1 9 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.120 0.026 18081 5456 1 9 . 1 1 42 42 LEU C C 42 175.161 175.161 175.859 -0.698 18081 5457 1 9 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.402 -1.623 18081 5458 1 9 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.213 -0.574 18081 5459 1 9 . 1 1 42 42 LEU H H 42 9.694 9.694 8.544 1.150 18081 5460 1 9 . 1 1 43 43 ALA N N 43 130.434 130.434 129.190 1.244 18081 5461 1 9 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.806 -0.084 18081 5462 1 9 . 1 1 43 43 ALA C C 43 173.292 173.292 175.581 -2.289 18081 5463 1 9 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.864 -1.710 18081 5464 1 9 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.795 -0.665 18081 5465 1 9 . 1 1 43 43 ALA H H 43 8.679 8.679 8.268 0.411 18081 5466 1 9 . 1 1 44 44 PHE N N 44 118.472 118.472 118.587 -0.115 18081 5467 1 9 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.815 0.394 18081 5468 1 9 . 1 1 44 44 PHE C C 44 172.698 172.698 174.814 -2.116 18081 5469 1 9 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.812 -1.688 18081 5470 1 9 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.221 1.452 18081 5471 1 9 . 1 1 44 44 PHE H H 44 7.756 7.756 7.776 -0.020 18081 5472 1 9 . 1 1 45 45 ALA N N 45 122.901 122.901 123.508 -0.607 18081 5473 1 9 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.274 -0.861 18081 5474 1 9 . 1 1 45 45 ALA C C 45 177.267 177.267 177.138 0.129 18081 5475 1 9 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.772 -6.489 18081 5476 1 9 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.601 -2.821 18081 5477 1 9 . 1 1 45 45 ALA H H 45 9.739 9.739 8.695 1.044 18081 5478 1 9 . 1 1 46 46 PHE N N 46 128.515 128.515 118.790 9.725 18081 5479 1 9 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.713 0.507 18081 5480 1 9 . 1 1 46 46 PHE C C 46 173.387 173.387 175.161 -1.774 18081 5481 1 9 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.860 3.171 18081 5482 1 9 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.850 1.549 18081 5483 1 9 . 1 1 46 46 PHE H H 46 7.994 7.994 8.245 -0.251 18081 5484 1 9 . 1 1 47 47 GLY N N 47 113.741 113.741 106.951 6.790 18081 5485 1 9 . 1 1 47 47 GLY C C 47 167.774 167.774 171.462 -3.688 18081 5486 1 9 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.820 0.415 18081 5487 1 9 . 1 1 47 47 GLY H H 47 7.796 7.796 7.408 0.388 18081 5488 1 9 . 1 1 48 48 TYR N N 48 119.637 119.637 115.863 3.774 18081 5489 1 9 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.738 0.600 18081 5490 1 9 . 1 1 48 48 TYR C C 48 175.042 175.042 173.658 1.384 18081 5491 1 9 . 1 1 48 48 TYR CA C 48 56.294 56.294 56.946 -0.652 18081 5492 1 9 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.228 1.734 18081 5493 1 9 . 1 1 48 48 TYR H H 48 8.370 8.370 7.683 0.687 18081 5494 1 9 . 1 1 49 49 GLN N N 49 121.776 121.776 120.965 0.811 18081 5495 1 9 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.854 -0.037 18081 5496 1 9 . 1 1 49 49 GLN CA C 49 52.334 52.334 54.017 -1.683 18081 5497 1 9 . 1 1 49 49 GLN CB C 49 33.874 33.874 29.273 4.601 18081 5498 1 9 . 1 1 49 49 GLN H H 49 9.163 9.163 7.975 1.188 18081 5499 1 9 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.700 0.042 18081 5500 1 9 . 1 1 50 50 PRO C C 50 174.271 174.271 176.071 -1.800 18081 5501 1 9 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.809 -0.019 18081 5502 1 9 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.442 2.223 18081 5503 1 9 . 1 1 51 51 ASN N N 51 113.755 113.755 116.922 -3.167 18081 5504 1 9 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.995 0.085 18081 5505 1 9 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.813 -0.814 18081 5506 1 9 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.858 1.838 18081 5507 1 9 . 1 1 51 51 ASN H H 51 8.229 8.229 8.438 -0.209 18081 5508 1 9 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.433 0.838 18081 5509 1 9 . 1 1 52 52 PRO C C 52 176.525 176.525 176.775 -0.250 18081 5510 1 9 . 1 1 52 52 PRO CA C 52 63.591 63.591 63.031 0.560 18081 5511 1 9 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.720 3.187 18081 5512 1 9 . 1 1 53 53 ILE N N 53 120.452 120.452 119.416 1.036 18081 5513 1 9 . 1 1 53 53 ILE HA H 53 4.066 4.066 3.881 0.185 18081 5514 1 9 . 1 1 53 53 ILE C C 53 174.236 174.236 175.624 -1.388 18081 5515 1 9 . 1 1 53 53 ILE CA C 53 61.500 61.500 62.752 -1.252 18081 5516 1 9 . 1 1 53 53 ILE CB C 53 39.905 39.905 38.350 1.555 18081 5517 1 9 . 1 1 53 53 ILE H H 53 8.321 8.321 7.627 0.694 18081 5518 1 9 . 1 1 54 54 GLU N N 54 129.279 129.279 125.549 3.730 18081 5519 1 9 . 1 1 54 54 GLU HA H 54 5.467 5.467 5.074 0.393 18081 5520 1 9 . 1 1 54 54 GLU C C 54 175.598 175.598 174.819 0.779 18081 5521 1 9 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.759 0.245 18081 5522 1 9 . 1 1 54 54 GLU CB C 54 30.907 30.907 34.112 -3.205 18081 5523 1 9 . 1 1 54 54 GLU H H 54 8.458 8.458 8.152 0.306 18081 5524 1 9 . 1 1 55 55 VAL N N 55 115.767 115.767 120.277 -4.510 18081 5525 1 9 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.527 0.129 18081 5526 1 9 . 1 1 55 55 VAL C C 55 172.453 172.453 173.281 -0.828 18081 5527 1 9 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.028 -2.289 18081 5528 1 9 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.684 -0.712 18081 5529 1 9 . 1 1 55 55 VAL H H 55 8.492 8.492 8.209 0.283 18081 5530 1 9 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.789 -0.122 18081 5531 1 9 . 1 1 56 56 PRO C C 56 177.445 177.445 176.954 0.491 18081 5532 1 9 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.432 -0.754 18081 5533 1 9 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.678 0.317 18081 5534 1 9 . 1 1 57 57 GLN N N 57 122.020 122.020 124.901 -2.881 18081 5535 1 9 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.083 -0.193 18081 5536 1 9 . 1 1 57 57 GLN C C 57 176.735 176.735 176.786 -0.051 18081 5537 1 9 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.213 0.659 18081 5538 1 9 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.721 -0.879 18081 5539 1 9 . 1 1 57 57 GLN H H 57 8.466 8.466 8.030 0.436 18081 5540 1 9 . 1 1 58 58 GLY N N 58 112.805 112.805 109.413 3.392 18081 5541 1 9 . 1 1 58 58 GLY C C 58 172.686 172.686 173.361 -0.675 18081 5542 1 9 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.913 1.459 18081 5543 1 9 . 1 1 58 58 GLY H H 58 8.713 8.713 8.417 0.296 18081 5544 1 9 . 1 1 59 59 ALA N N 59 122.839 122.839 122.044 0.795 18081 5545 1 9 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.955 -0.404 18081 5546 1 9 . 1 1 59 59 ALA C C 59 176.659 176.659 175.310 1.349 18081 5547 1 9 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.695 0.037 18081 5548 1 9 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.988 -1.264 18081 5549 1 9 . 1 1 59 59 ALA H H 59 6.982 6.982 7.335 -0.353 18081 5550 1 9 . 1 1 60 60 GLU N N 60 123.390 123.390 119.208 4.182 18081 5551 1 9 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.364 -0.057 18081 5552 1 9 . 1 1 60 60 GLU C C 60 173.876 173.876 175.688 -1.812 18081 5553 1 9 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.877 -0.049 18081 5554 1 9 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.802 -0.488 18081 5555 1 9 . 1 1 60 60 GLU H H 60 8.260 8.260 8.504 -0.244 18081 5556 1 9 . 1 1 61 61 ILE N N 61 130.883 130.883 122.527 8.356 18081 5557 1 9 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.421 0.401 18081 5558 1 9 . 1 1 61 61 ILE C C 61 175.267 175.267 175.497 -0.230 18081 5559 1 9 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.772 -1.349 18081 5560 1 9 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.925 -3.173 18081 5561 1 9 . 1 1 61 61 ILE H H 61 9.103 9.103 8.463 0.640 18081 5562 1 9 . 1 1 62 62 VAL N N 62 127.879 127.879 122.317 5.562 18081 5563 1 9 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.022 -0.674 18081 5564 1 9 . 1 1 62 62 VAL C C 62 175.598 175.598 175.668 -0.070 18081 5565 1 9 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.057 0.686 18081 5566 1 9 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.219 -0.015 18081 5567 1 9 . 1 1 62 62 VAL H H 62 8.992 8.992 8.138 0.854 18081 5568 1 9 . 1 1 63 63 PHE N N 63 125.354 125.354 128.871 -3.517 18081 5569 1 9 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.429 0.564 18081 5570 1 9 . 1 1 63 63 PHE C C 63 175.507 175.507 175.190 0.317 18081 5571 1 9 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.558 -1.751 18081 5572 1 9 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.896 -0.288 18081 5573 1 9 . 1 1 63 63 PHE H H 63 9.521 9.521 8.517 1.004 18081 5574 1 9 . 1 1 64 64 LYS N N 64 123.471 123.471 121.979 1.492 18081 5575 1 9 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.086 0.007 18081 5576 1 9 . 1 1 64 64 LYS C C 64 175.877 175.877 175.624 0.253 18081 5577 1 9 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.401 -1.020 18081 5578 1 9 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.832 -0.763 18081 5579 1 9 . 1 1 64 64 LYS H H 64 8.977 8.977 8.411 0.566 18081 5580 1 9 . 1 1 65 65 ILE N N 65 125.792 125.792 125.795 -0.003 18081 5581 1 9 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.289 0.514 18081 5582 1 9 . 1 1 65 65 ILE C C 65 175.724 175.724 175.310 0.414 18081 5583 1 9 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.086 -0.322 18081 5584 1 9 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.309 1.079 18081 5585 1 9 . 1 1 65 65 ILE H H 65 9.390 9.390 8.178 1.212 18081 5586 1 9 . 1 1 66 66 THR N N 66 119.455 119.455 116.973 2.482 18081 5587 1 9 . 1 1 66 66 THR HA H 66 4.583 4.583 4.721 -0.138 18081 5588 1 9 . 1 1 66 66 THR C C 66 170.978 170.978 172.374 -1.396 18081 5589 1 9 . 1 1 66 66 THR CA C 66 61.233 61.233 61.503 -0.270 18081 5590 1 9 . 1 1 66 66 THR CB C 66 70.456 70.456 69.579 0.877 18081 5591 1 9 . 1 1 66 66 THR H H 66 8.176 8.176 8.038 0.138 18081 5592 1 9 . 1 1 67 67 SER N N 67 115.523 115.523 121.713 -6.190 18081 5593 1 9 . 1 1 67 67 SER HA H 67 6.316 6.316 5.117 1.199 18081 5594 1 9 . 1 1 67 67 SER C C 67 174.516 174.516 172.727 1.789 18081 5595 1 9 . 1 1 67 67 SER CA C 67 51.222 51.222 55.210 -3.988 18081 5596 1 9 . 1 1 67 67 SER CB C 67 66.501 66.501 65.561 0.940 18081 5597 1 9 . 1 1 67 67 SER H H 67 7.190 7.190 8.598 -1.408 18081 5598 1 9 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.249 0.579 18081 5599 1 9 . 1 1 68 68 PRO C C 68 174.360 174.360 175.796 -1.436 18081 5600 1 9 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.622 -2.054 18081 5601 1 9 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.936 0.553 18081 5602 1 9 . 1 1 69 69 ASP N N 69 120.505 120.505 116.932 3.573 18081 5603 1 9 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.841 -0.093 18081 5604 1 9 . 1 1 69 69 ASP C C 69 173.775 173.775 174.500 -0.725 18081 5605 1 9 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.714 1.735 18081 5606 1 9 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.313 -0.332 18081 5607 1 9 . 1 1 69 69 ASP H H 69 8.594 8.594 8.248 0.345 18081 5608 1 9 . 1 1 70 70 VAL N N 70 120.074 120.074 115.618 4.456 18081 5609 1 9 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.439 0.135 18081 5610 1 9 . 1 1 70 70 VAL C C 70 174.866 174.866 174.334 0.532 18081 5611 1 9 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.026 -0.795 18081 5612 1 9 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.062 0.998 18081 5613 1 9 . 1 1 70 70 VAL H H 70 10.855 10.855 7.491 3.364 18081 5614 1 9 . 1 1 71 71 ILE N N 71 121.272 121.272 123.738 -2.466 18081 5615 1 9 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.068 0.370 18081 5616 1 9 . 1 1 71 71 ILE CA C 71 62.434 62.434 62.100 0.334 18081 5617 1 9 . 1 1 71 71 ILE CB C 71 38.521 38.521 38.361 0.160 18081 5618 1 9 . 1 1 71 71 ILE H H 71 7.670 7.670 9.035 -1.365 18081 5619 1 9 . 1 1 73 73 GLY C C 73 172.580 172.580 172.648 -0.068 18081 5620 1 9 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.547 -0.133 18081 5621 1 9 . 1 1 74 74 PHE N N 74 123.714 123.714 120.544 3.170 18081 5622 1 9 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.041 -0.756 18081 5623 1 9 . 1 1 74 74 PHE C C 74 171.502 171.502 173.445 -1.943 18081 5624 1 9 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.563 4.134 18081 5625 1 9 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.357 -0.562 18081 5626 1 9 . 1 1 74 74 PHE H H 74 8.712 8.712 7.241 1.471 18081 5627 1 9 . 1 1 75 75 HIS N N 75 124.835 124.835 122.078 2.757 18081 5628 1 9 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.760 0.698 18081 5629 1 9 . 1 1 75 75 HIS C C 75 172.817 172.817 173.657 -0.840 18081 5630 1 9 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.519 -3.096 18081 5631 1 9 . 1 1 75 75 HIS CB C 75 29.523 29.523 32.188 -2.665 18081 5632 1 9 . 1 1 75 75 HIS H H 75 7.786 7.786 8.861 -1.075 18081 5633 1 9 . 1 1 76 76 VAL N N 76 124.569 124.569 124.837 -0.268 18081 5634 1 9 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.949 0.344 18081 5635 1 9 . 1 1 76 76 VAL C C 76 175.843 175.843 173.994 1.849 18081 5636 1 9 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.934 0.765 18081 5637 1 9 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.087 -4.719 18081 5638 1 9 . 1 1 76 76 VAL H H 76 6.558 6.558 7.966 -1.408 18081 5639 1 9 . 1 1 77 77 GLU N N 77 132.091 132.091 127.303 4.788 18081 5640 1 9 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.003 -0.115 18081 5641 1 9 . 1 1 77 77 GLU C C 77 176.941 176.941 177.615 -0.674 18081 5642 1 9 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.693 1.004 18081 5643 1 9 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.071 0.144 18081 5644 1 9 . 1 1 77 77 GLU H H 77 8.977 8.977 8.414 0.563 18081 5645 1 9 . 1 1 78 78 GLY N N 78 111.143 111.143 106.287 4.856 18081 5646 1 9 . 1 1 78 78 GLY C C 78 174.152 174.152 174.109 0.043 18081 5647 1 9 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.982 -0.722 18081 5648 1 9 . 1 1 78 78 GLY H H 78 8.052 8.052 8.733 -0.681 18081 5649 1 9 . 1 1 79 79 THR N N 79 109.705 109.705 116.201 -6.496 18081 5650 1 9 . 1 1 79 79 THR HA H 79 4.949 4.949 4.475 0.474 18081 5651 1 9 . 1 1 79 79 THR C C 79 173.397 173.397 172.912 0.485 18081 5652 1 9 . 1 1 79 79 THR CA C 79 60.076 60.076 60.263 -0.187 18081 5653 1 9 . 1 1 79 79 THR CB C 79 72.829 72.829 71.037 1.792 18081 5654 1 9 . 1 1 79 79 THR H H 79 7.810 7.810 7.710 0.100 18081 5655 1 9 . 1 1 80 80 ASN N N 80 116.427 116.427 120.368 -3.941 18081 5656 1 9 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.735 0.185 18081 5657 1 9 . 1 1 80 80 ASN C C 80 175.665 175.665 174.196 1.469 18081 5658 1 9 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.847 -0.824 18081 5659 1 9 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.638 -0.105 18081 5660 1 9 . 1 1 80 80 ASN H H 80 7.856 7.856 8.560 -0.704 18081 5661 1 9 . 1 1 81 81 ILE N N 81 121.552 121.552 123.050 -1.498 18081 5662 1 9 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.275 -0.478 18081 5663 1 9 . 1 1 81 81 ILE C C 81 176.564 176.564 174.670 1.894 18081 5664 1 9 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.047 1.476 18081 5665 1 9 . 1 1 81 81 ILE CB C 81 38.101 38.101 39.066 -0.965 18081 5666 1 9 . 1 1 81 81 ILE H H 81 8.493 8.493 7.490 1.003 18081 5667 1 9 . 1 1 82 82 ASN N N 82 131.507 131.507 127.883 3.624 18081 5668 1 9 . 1 1 82 82 ASN HA H 82 5.151 5.151 5.023 0.128 18081 5669 1 9 . 1 1 82 82 ASN C C 82 173.025 173.025 174.126 -1.101 18081 5670 1 9 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.828 2.439 18081 5671 1 9 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.585 0.221 18081 5672 1 9 . 1 1 82 82 ASN H H 82 8.911 8.911 8.639 0.272 18081 5673 1 9 . 1 1 83 83 VAL N N 83 120.866 120.866 118.451 2.415 18081 5674 1 9 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.415 0.250 18081 5675 1 9 . 1 1 83 83 VAL C C 83 173.954 173.954 174.525 -0.571 18081 5676 1 9 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.078 -0.958 18081 5677 1 9 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.752 2.901 18081 5678 1 9 . 1 1 83 83 VAL H H 83 8.356 8.356 8.164 0.192 18081 5679 1 9 . 1 1 84 84 GLU N N 84 125.997 125.997 124.845 1.152 18081 5680 1 9 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.491 0.096 18081 5681 1 9 . 1 1 84 84 GLU C C 84 174.600 174.600 173.930 0.670 18081 5682 1 9 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.699 0.328 18081 5683 1 9 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.544 -0.735 18081 5684 1 9 . 1 1 84 84 GLU H H 84 8.534 8.534 8.380 0.154 18081 5685 1 9 . 1 1 85 85 VAL N N 85 125.888 125.888 121.869 4.019 18081 5686 1 9 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.266 -0.217 18081 5687 1 9 . 1 1 85 85 VAL C C 85 173.256 173.256 174.793 -1.537 18081 5688 1 9 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.889 0.628 18081 5689 1 9 . 1 1 85 85 VAL CB C 85 32.786 32.786 35.061 -2.275 18081 5690 1 9 . 1 1 85 85 VAL H H 85 8.782 8.782 7.589 1.193 18081 5691 1 9 . 1 1 86 86 LEU N N 86 128.745 128.745 126.296 2.449 18081 5692 1 9 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.285 0.516 18081 5693 1 9 . 1 1 86 86 LEU CA C 86 51.934 51.934 54.578 -2.644 18081 5694 1 9 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.380 1.030 18081 5695 1 9 . 1 1 86 86 LEU H H 86 9.131 9.131 8.541 0.590 18081 5696 1 9 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.295 0.368 18081 5697 1 9 . 1 1 87 87 PRO C C 87 178.454 178.454 176.976 1.478 18081 5698 1 9 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.078 -0.466 18081 5699 1 9 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.285 -1.080 18081 5700 1 9 . 1 1 88 88 GLY N N 88 112.804 112.804 108.524 4.280 18081 5701 1 9 . 1 1 88 88 GLY C C 88 173.451 173.451 173.162 0.289 18081 5702 1 9 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.131 -0.049 18081 5703 1 9 . 1 1 88 88 GLY H H 88 9.103 9.103 8.468 0.635 18081 5704 1 9 . 1 1 89 89 GLU N N 89 118.355 118.355 116.451 1.904 18081 5705 1 9 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.663 0.437 18081 5706 1 9 . 1 1 89 89 GLU C C 89 176.719 176.719 174.452 2.267 18081 5707 1 9 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.388 -0.141 18081 5708 1 9 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.213 -0.350 18081 5709 1 9 . 1 1 89 89 GLU H H 89 7.764 7.764 7.457 0.307 18081 5710 1 9 . 1 1 90 90 VAL N N 90 127.142 127.142 120.269 6.873 18081 5711 1 9 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.867 -0.367 18081 5712 1 9 . 1 1 90 90 VAL C C 90 176.838 176.838 175.590 1.248 18081 5713 1 9 . 1 1 90 90 VAL CA C 90 61.856 61.856 60.750 1.106 18081 5714 1 9 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.905 -0.767 18081 5715 1 9 . 1 1 90 90 VAL H H 90 8.830 8.830 8.607 0.223 18081 5716 1 9 . 1 1 91 91 SER N N 91 127.859 127.859 122.608 5.251 18081 5717 1 9 . 1 1 91 91 SER HA H 91 4.924 4.924 4.789 0.135 18081 5718 1 9 . 1 1 91 91 SER C C 91 173.015 173.015 174.022 -1.007 18081 5719 1 9 . 1 1 91 91 SER CA C 91 58.118 58.118 56.748 1.370 18081 5720 1 9 . 1 1 91 91 SER CB C 91 63.931 63.931 64.237 -0.306 18081 5721 1 9 . 1 1 91 91 SER H H 91 9.710 9.710 8.467 1.243 18081 5722 1 9 . 1 1 92 92 THR N N 92 122.627 122.627 124.443 -1.816 18081 5723 1 9 . 1 1 92 92 THR HA H 92 5.682 5.682 5.186 0.496 18081 5724 1 9 . 1 1 92 92 THR C C 92 174.480 174.480 173.911 0.569 18081 5725 1 9 . 1 1 92 92 THR CA C 92 61.856 61.856 62.058 -0.202 18081 5726 1 9 . 1 1 92 92 THR CB C 92 70.160 70.160 69.704 0.456 18081 5727 1 9 . 1 1 92 92 THR H H 92 8.864 8.864 8.593 0.271 18081 5728 1 9 . 1 1 93 93 VAL N N 93 126.698 126.698 125.068 1.630 18081 5729 1 9 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.514 -0.007 18081 5730 1 9 . 1 1 93 93 VAL C C 93 173.002 173.002 173.954 -0.952 18081 5731 1 9 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.219 0.435 18081 5732 1 9 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.050 0.603 18081 5733 1 9 . 1 1 93 93 VAL H H 93 8.806 8.806 8.212 0.594 18081 5734 1 9 . 1 1 94 94 ARG N N 94 126.396 126.396 128.169 -1.773 18081 5735 1 9 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.297 0.593 18081 5736 1 9 . 1 1 94 94 ARG C C 94 175.885 175.885 175.506 0.379 18081 5737 1 9 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.894 -0.513 18081 5738 1 9 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.185 2.403 18081 5739 1 9 . 1 1 94 94 ARG H H 94 8.630 8.630 8.617 0.013 18081 5740 1 9 . 1 1 95 95 TYR N N 95 126.390 126.390 127.000 -0.610 18081 5741 1 9 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.676 -0.356 18081 5742 1 9 . 1 1 95 95 TYR C C 95 172.683 172.683 173.841 -1.158 18081 5743 1 9 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.829 1.757 18081 5744 1 9 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.674 3.779 18081 5745 1 9 . 1 1 95 95 TYR H H 95 9.623 9.623 8.233 1.390 18081 5746 1 9 . 1 1 96 96 THR N N 96 121.396 121.396 122.676 -1.280 18081 5747 1 9 . 1 1 96 96 THR HA H 96 4.684 4.684 4.657 0.027 18081 5748 1 9 . 1 1 96 96 THR C C 96 172.729 172.729 173.052 -0.323 18081 5749 1 9 . 1 1 96 96 THR CA C 96 61.322 61.322 60.817 0.505 18081 5750 1 9 . 1 1 96 96 THR CB C 96 70.160 70.160 70.405 -0.245 18081 5751 1 9 . 1 1 96 96 THR H H 96 6.742 6.742 7.831 -1.089 18081 5752 1 9 . 1 1 97 97 PHE N N 97 126.539 126.539 126.300 0.239 18081 5753 1 9 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.618 -0.165 18081 5754 1 9 . 1 1 97 97 PHE C C 97 176.075 176.075 175.911 0.164 18081 5755 1 9 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.556 1.651 18081 5756 1 9 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.216 -1.308 18081 5757 1 9 . 1 1 97 97 PHE H H 97 8.933 8.933 8.791 0.142 18081 5758 1 9 . 1 1 98 98 LYS N N 98 123.417 123.417 118.688 4.729 18081 5759 1 9 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.466 -0.073 18081 5760 1 9 . 1 1 98 98 LYS C C 98 175.939 175.939 175.849 0.090 18081 5761 1 9 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.331 0.452 18081 5762 1 9 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.862 -0.878 18081 5763 1 9 . 1 1 98 98 LYS H H 98 8.604 8.604 8.829 -0.225 18081 5764 1 9 . 1 1 99 99 ARG N N 99 118.424 118.424 119.625 -1.201 18081 5765 1 9 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.558 0.462 18081 5766 1 9 . 1 1 99 99 ARG C C 99 174.332 174.332 173.157 1.175 18081 5767 1 9 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.770 -1.169 18081 5768 1 9 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.667 -0.067 18081 5769 1 9 . 1 1 99 99 ARG H H 99 7.801 7.801 7.542 0.259 18081 5770 1 9 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.365 0.018 18081 5771 1 9 . 1 1 100 100 PRO C C 100 175.190 175.190 176.303 -1.113 18081 5772 1 9 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.483 0.084 18081 5773 1 9 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.172 0.416 18081 5774 1 9 . 1 1 101 101 GLY N N 101 108.626 108.626 107.463 1.163 18081 5775 1 9 . 1 1 101 101 GLY C C 101 171.375 171.375 172.205 -0.830 18081 5776 1 9 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.951 -0.848 18081 5777 1 9 . 1 1 101 101 GLY H H 101 8.685 8.685 7.749 0.936 18081 5778 1 9 . 1 1 102 102 GLU N N 102 119.327 119.327 122.321 -2.994 18081 5779 1 9 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.866 0.285 18081 5780 1 9 . 1 1 102 102 GLU C C 102 176.066 176.066 175.170 0.896 18081 5781 1 9 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.043 0.361 18081 5782 1 9 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.205 -0.001 18081 5783 1 9 . 1 1 102 102 GLU H H 102 8.144 8.144 8.392 -0.248 18081 5784 1 9 . 1 1 103 103 TYR N N 103 125.807 125.807 120.854 4.953 18081 5785 1 9 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.928 -0.282 18081 5786 1 9 . 1 1 103 103 TYR C C 103 174.711 174.711 173.539 1.172 18081 5787 1 9 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.829 -0.491 18081 5788 1 9 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.928 -0.739 18081 5789 1 9 . 1 1 103 103 TYR H H 103 9.687 9.687 8.615 1.072 18081 5790 1 9 . 1 1 104 104 ARG N N 104 124.463 124.463 120.543 3.920 18081 5791 1 9 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.871 -0.244 18081 5792 1 9 . 1 1 104 104 ARG C C 104 174.570 174.570 174.496 0.074 18081 5793 1 9 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.832 1.933 18081 5794 1 9 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.892 -1.194 18081 5795 1 9 . 1 1 104 104 ARG H H 104 8.902 8.902 8.347 0.555 18081 5796 1 9 . 1 1 105 105 ILE N N 105 124.589 124.589 118.364 6.225 18081 5797 1 9 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.715 0.654 18081 5798 1 9 . 1 1 105 105 ILE C C 105 175.576 175.576 175.146 0.430 18081 5799 1 9 . 1 1 105 105 ILE CA C 105 59.935 59.935 60.845 -0.910 18081 5800 1 9 . 1 1 105 105 ILE CB C 105 39.811 39.811 37.568 2.243 18081 5801 1 9 . 1 1 105 105 ILE H H 105 8.289 8.289 8.380 -0.091 18081 5802 1 9 . 1 1 106 106 ILE N N 106 121.777 121.777 123.754 -1.977 18081 5803 1 9 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.588 0.450 18081 5804 1 9 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.048 -0.826 18081 5805 1 9 . 1 1 106 106 ILE CB C 106 42.475 42.475 40.420 2.055 18081 5806 1 9 . 1 1 106 106 ILE H H 106 8.765 8.765 8.779 -0.014 18081 5807 1 9 . 1 1 109 109 GLN HA H 109 4.122 4.122 3.863 0.259 18081 5808 1 9 . 1 1 109 109 GLN C C 109 175.724 175.724 176.152 -0.428 18081 5809 1 9 . 1 1 109 109 GLN CA C 109 56.472 56.472 57.134 -0.662 18081 5810 1 9 . 1 1 109 109 GLN CB C 109 29.128 29.128 28.311 0.817 18081 5811 1 9 . 1 1 110 110 TYR N N 110 120.856 120.856 124.041 -3.185 18081 5812 1 9 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.429 0.060 18081 5813 1 9 . 1 1 110 110 TYR CA C 110 57.985 57.985 57.248 0.737 18081 5814 1 9 . 1 1 110 110 TYR CB C 110 37.927 37.927 37.261 0.666 18081 5815 1 9 . 1 1 110 110 TYR H H 110 8.191 8.191 8.717 -0.526 18081 5816 1 9 . 1 1 111 111 CYS N N 111 120.561 120.561 118.869 1.692 18081 5817 1 9 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.017 0.366 18081 5818 1 9 . 1 1 111 111 CYS C C 111 174.692 174.692 173.871 0.821 18081 5819 1 9 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.760 -1.143 18081 5820 1 9 . 1 1 111 111 CYS CB C 111 27.976 27.976 25.157 2.819 18081 5821 1 9 . 1 1 111 111 CYS H H 111 8.166 8.166 8.624 -0.458 18081 5822 1 9 . 1 1 112 112 GLY N N 112 111.467 111.467 106.573 4.894 18081 5823 1 9 . 1 1 112 112 GLY C C 112 173.900 173.900 173.652 0.248 18081 5824 1 9 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.315 0.830 18081 5825 1 9 . 1 1 112 112 GLY H H 112 8.239 8.239 7.547 0.692 18081 5826 1 9 . 1 1 113 113 LEU N N 113 122.150 122.150 120.675 1.475 18081 5827 1 9 . 1 1 113 113 LEU HA H 113 4.324 4.324 3.946 0.378 18081 5828 1 9 . 1 1 113 113 LEU C C 113 178.068 178.068 178.571 -0.503 18081 5829 1 9 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.309 -0.591 18081 5830 1 9 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.288 0.790 18081 5831 1 9 . 1 1 113 113 LEU H H 113 8.179 8.179 8.548 -0.369 18081 5832 1 9 . 1 1 114 114 GLY N N 114 109.278 109.278 109.285 -0.007 18081 5833 1 9 . 1 1 114 114 GLY C C 114 174.142 174.142 173.907 0.235 18081 5834 1 9 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.755 -0.406 18081 5835 1 9 . 1 1 114 114 GLY H H 114 8.393 8.393 7.882 0.511 18081 5836 1 9 . 1 1 117 117 ASN N N 117 120.387 120.387 116.826 3.561 18081 5837 1 9 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.342 0.336 18081 5838 1 9 . 1 1 117 117 ASN C C 117 174.422 174.422 174.964 -0.542 18081 5839 1 9 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.782 -0.603 18081 5840 1 9 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.633 0.383 18081 5841 1 9 . 1 1 117 117 ASN H H 117 8.522 8.522 8.533 -0.011 18081 5842 1 9 . 1 1 118 118 MET N N 118 120.526 120.526 122.171 -1.645 18081 5843 1 9 . 1 1 118 118 MET C C 118 173.321 173.321 175.484 -2.163 18081 5844 1 9 . 1 1 118 118 MET CA C 118 55.360 55.360 56.054 -0.694 18081 5845 1 9 . 1 1 118 118 MET CB C 118 34.467 34.467 33.168 1.299 18081 5846 1 9 . 1 1 118 118 MET H H 118 7.981 7.981 8.220 -0.239 18081 5847 1 9 . 1 1 119 119 PHE N N 119 119.704 119.704 113.806 5.898 18081 5848 1 9 . 1 1 119 119 PHE HA H 119 5.822 5.822 5.200 0.622 18081 5849 1 9 . 1 1 119 119 PHE C C 119 174.894 174.894 175.584 -0.690 18081 5850 1 9 . 1 1 119 119 PHE CA C 119 56.116 56.116 55.212 0.904 18081 5851 1 9 . 1 1 119 119 PHE CB C 119 42.377 42.377 40.721 1.656 18081 5852 1 9 . 1 1 119 119 PHE H H 119 8.068 8.068 7.598 0.470 18081 5853 1 9 . 1 1 120 120 GLY N N 120 109.869 109.869 107.612 2.257 18081 5854 1 9 . 1 1 120 120 GLY C C 120 172.817 172.817 172.788 0.029 18081 5855 1 9 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.523 -0.242 18081 5856 1 9 . 1 1 120 120 GLY H H 120 8.984 8.984 8.651 0.333 18081 5857 1 9 . 1 1 121 121 THR N N 121 115.820 115.820 116.929 -1.109 18081 5858 1 9 . 1 1 121 121 THR HA H 121 5.068 5.068 4.450 0.618 18081 5859 1 9 . 1 1 121 121 THR C C 121 173.062 173.062 174.134 -1.072 18081 5860 1 9 . 1 1 121 121 THR CA C 121 62.745 62.745 63.461 -0.716 18081 5861 1 9 . 1 1 121 121 THR CB C 121 72.533 72.533 69.779 2.754 18081 5862 1 9 . 1 1 121 121 THR H H 121 8.123 8.123 8.480 -0.357 18081 5863 1 9 . 1 1 122 122 ILE N N 122 127.420 127.420 127.621 -0.201 18081 5864 1 9 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.183 0.652 18081 5865 1 9 . 1 1 122 122 ILE C C 122 174.260 174.260 173.162 1.098 18081 5866 1 9 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.749 -0.673 18081 5867 1 9 . 1 1 122 122 ILE CB C 122 40.399 40.399 41.787 -1.388 18081 5868 1 9 . 1 1 122 122 ILE H H 122 9.152 9.152 8.779 0.373 18081 5869 1 9 . 1 1 123 123 VAL N N 123 130.032 130.032 126.950 3.082 18081 5870 1 9 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.552 -0.173 18081 5871 1 9 . 1 1 123 123 VAL C C 123 174.012 174.012 173.643 0.369 18081 5872 1 9 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.026 2.785 18081 5873 1 9 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.509 -2.229 18081 5874 1 9 . 1 1 123 123 VAL H H 123 9.601 9.601 8.010 1.591 18081 5875 1 9 . 1 1 124 124 VAL N N 124 128.765 128.765 128.008 0.757 18081 5876 1 9 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.464 0.235 18081 5877 1 9 . 1 1 124 124 VAL C C 124 177.239 177.239 175.342 1.897 18081 5878 1 9 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.020 -0.455 18081 5879 1 9 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.898 -1.595 18081 5880 1 9 . 1 1 124 124 VAL H H 124 9.056 9.056 7.967 1.089 18081 5881 1 9 . 1 1 125 125 LYS N N 125 129.953 129.953 128.232 1.721 18081 5882 1 9 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.502 -0.161 18081 5883 1 9 . 1 1 125 125 LYS C C 125 175.317 175.317 175.829 -0.512 18081 5884 1 9 . 1 1 125 125 LYS CA C 125 55.449 55.449 54.465 0.984 18081 5885 1 9 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.641 0.936 18081 5886 1 9 . 1 1 125 125 LYS H H 125 8.854 8.854 8.700 0.154 18081 5887 1 10 . 1 1 2 2 VAL N N 2 126.137 126.137 123.874 2.263 18081 5888 1 10 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.377 -0.351 18081 5889 1 10 . 1 1 2 2 VAL C C 2 176.484 176.484 173.645 2.839 18081 5890 1 10 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.355 0.213 18081 5891 1 10 . 1 1 2 2 VAL CB C 2 32.391 32.391 32.526 -0.135 18081 5892 1 10 . 1 1 2 2 VAL H H 2 8.035 8.035 7.817 0.218 18081 5893 1 10 . 1 1 3 3 ILE N N 3 124.059 124.059 122.795 1.264 18081 5894 1 10 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.752 -0.257 18081 5895 1 10 . 1 1 3 3 ILE C C 3 174.606 174.606 174.271 0.335 18081 5896 1 10 . 1 1 3 3 ILE CA C 3 58.385 58.385 59.780 -1.395 18081 5897 1 10 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.977 0.544 18081 5898 1 10 . 1 1 3 3 ILE H H 3 7.856 7.856 8.042 -0.186 18081 5899 1 10 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.545 -0.172 18081 5900 1 10 . 1 1 4 4 PRO C C 4 176.585 176.585 175.462 1.123 18081 5901 1 10 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.942 0.248 18081 5902 1 10 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.446 -0.482 18081 5903 1 10 . 1 1 5 5 ALA N N 5 125.371 125.371 122.750 2.621 18081 5904 1 10 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.475 -0.188 18081 5905 1 10 . 1 1 5 5 ALA C C 5 178.454 178.454 177.129 1.325 18081 5906 1 10 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.916 -0.181 18081 5907 1 10 . 1 1 5 5 ALA CB C 5 19.043 19.043 20.012 -0.969 18081 5908 1 10 . 1 1 5 5 ALA H H 5 8.458 8.458 8.064 0.394 18081 5909 1 10 . 1 1 6 6 GLY N N 6 108.626 108.626 111.304 -2.678 18081 5910 1 10 . 1 1 6 6 GLY C C 6 173.996 173.996 174.046 -0.050 18081 5911 1 10 . 1 1 6 6 GLY CA C 6 45.171 45.171 44.753 0.418 18081 5912 1 10 . 1 1 6 6 GLY H H 6 8.378 8.378 8.430 -0.052 18081 5913 1 10 . 1 1 7 7 LYS N N 7 121.320 121.320 121.516 -0.196 18081 5914 1 10 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.592 -0.263 18081 5915 1 10 . 1 1 7 7 LYS C C 7 176.362 176.362 174.967 1.395 18081 5916 1 10 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.878 0.238 18081 5917 1 10 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.145 -1.161 18081 5918 1 10 . 1 1 7 7 LYS H H 7 7.976 7.976 8.070 -0.094 18081 5919 1 10 . 1 1 8 8 LEU N N 8 124.548 124.548 119.807 4.741 18081 5920 1 10 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.133 0.258 18081 5921 1 10 . 1 1 8 8 LEU C C 8 176.772 176.772 175.212 1.560 18081 5922 1 10 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.525 -0.343 18081 5923 1 10 . 1 1 8 8 LEU CB C 8 42.475 42.475 41.963 0.512 18081 5924 1 10 . 1 1 8 8 LEU H H 8 8.283 8.283 8.460 -0.177 18081 5925 1 10 . 1 1 9 9 GLU N N 9 124.888 124.888 120.453 4.435 18081 5926 1 10 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.689 -0.299 18081 5927 1 10 . 1 1 9 9 GLU C C 9 174.919 174.919 175.540 -0.621 18081 5928 1 10 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.551 0.921 18081 5929 1 10 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.885 -2.274 18081 5930 1 10 . 1 1 9 9 GLU H H 9 8.679 8.679 8.578 0.101 18081 5931 1 10 . 1 1 10 10 ARG N N 10 123.557 123.557 123.967 -0.410 18081 5932 1 10 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.467 0.505 18081 5933 1 10 . 1 1 10 10 ARG C C 10 175.727 175.727 175.683 0.044 18081 5934 1 10 . 1 1 10 10 ARG CA C 10 55.085 55.085 56.279 -1.194 18081 5935 1 10 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.076 1.469 18081 5936 1 10 . 1 1 10 10 ARG H H 10 8.248 8.248 8.731 -0.483 18081 5937 1 10 . 1 1 11 11 VAL N N 11 118.077 118.077 118.859 -0.782 18081 5938 1 10 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.456 -0.076 18081 5939 1 10 . 1 1 11 11 VAL C C 11 173.297 173.297 174.271 -0.974 18081 5940 1 10 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.939 -0.353 18081 5941 1 10 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.911 -0.148 18081 5942 1 10 . 1 1 11 11 VAL H H 11 8.039 8.039 7.913 0.126 18081 5943 1 10 . 1 1 12 12 ASP N N 12 123.786 123.786 117.488 6.298 18081 5944 1 10 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.092 -0.141 18081 5945 1 10 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.841 -1.242 18081 5946 1 10 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.870 -2.482 18081 5947 1 10 . 1 1 12 12 ASP H H 12 8.313 8.313 8.244 0.069 18081 5948 1 10 . 1 1 13 13 PRO C C 13 177.705 177.705 177.243 0.462 18081 5949 1 10 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.152 0.587 18081 5950 1 10 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.814 -0.192 18081 5951 1 10 . 1 1 14 14 THR N N 14 109.188 109.188 115.144 -5.956 18081 5952 1 10 . 1 1 14 14 THR HA H 14 4.252 4.252 4.093 0.159 18081 5953 1 10 . 1 1 14 14 THR C C 14 176.733 176.733 175.452 1.281 18081 5954 1 10 . 1 1 14 14 THR CA C 14 63.996 63.996 64.893 -0.897 18081 5955 1 10 . 1 1 14 14 THR CB C 14 69.270 69.270 68.933 0.337 18081 5956 1 10 . 1 1 14 14 THR H H 14 8.413 8.413 8.188 0.225 18081 5957 1 10 . 1 1 15 15 THR N N 15 108.904 108.904 111.622 -2.718 18081 5958 1 10 . 1 1 15 15 THR HA H 15 4.733 4.733 4.538 0.195 18081 5959 1 10 . 1 1 15 15 THR C C 15 177.174 177.174 174.472 2.702 18081 5960 1 10 . 1 1 15 15 THR CA C 15 61.589 61.589 61.562 0.028 18081 5961 1 10 . 1 1 15 15 THR CB C 15 70.654 70.654 69.048 1.606 18081 5962 1 10 . 1 1 15 15 THR H H 15 7.413 7.413 8.044 -0.631 18081 5963 1 10 . 1 1 16 16 VAL N N 16 122.387 122.387 123.710 -1.323 18081 5964 1 10 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.896 0.302 18081 5965 1 10 . 1 1 16 16 VAL C C 16 175.683 175.683 175.376 0.307 18081 5966 1 10 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.346 -0.894 18081 5967 1 10 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.316 -0.815 18081 5968 1 10 . 1 1 16 16 VAL H H 16 7.143 7.143 7.526 -0.383 18081 5969 1 10 . 1 1 17 17 ARG N N 17 115.917 115.917 115.759 0.158 18081 5970 1 10 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.539 -0.268 18081 5971 1 10 . 1 1 17 17 ARG C C 17 175.861 175.861 177.038 -1.177 18081 5972 1 10 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.235 -0.185 18081 5973 1 10 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.076 -0.050 18081 5974 1 10 . 1 1 17 17 ARG H H 17 8.227 8.227 8.562 -0.335 18081 5975 1 10 . 1 1 18 18 GLN N N 18 117.044 117.044 118.199 -1.155 18081 5976 1 10 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.449 -0.050 18081 5977 1 10 . 1 1 18 18 GLN C C 18 175.506 175.506 175.965 -0.459 18081 5978 1 10 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.696 -0.557 18081 5979 1 10 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.252 1.557 18081 5980 1 10 . 1 1 18 18 GLN H H 18 7.765 7.765 7.915 -0.150 18081 5981 1 10 . 1 1 19 19 GLU N N 19 118.659 118.659 117.474 1.185 18081 5982 1 10 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.440 0.119 18081 5983 1 10 . 1 1 19 19 GLU C C 19 175.081 175.081 175.910 -0.829 18081 5984 1 10 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.891 -0.709 18081 5985 1 10 . 1 1 19 19 GLU CB C 19 32.391 32.391 30.632 1.759 18081 5986 1 10 . 1 1 19 19 GLU H H 19 8.070 8.070 7.860 0.210 18081 5987 1 10 . 1 1 20 20 GLY N N 20 113.694 113.694 109.250 4.444 18081 5988 1 10 . 1 1 20 20 GLY C C 20 174.150 174.150 173.466 0.684 18081 5989 1 10 . 1 1 20 20 GLY CA C 20 44.548 44.548 43.339 1.209 18081 5990 1 10 . 1 1 20 20 GLY H H 20 8.933 8.933 7.551 1.382 18081 5991 1 10 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.189 -0.516 18081 5992 1 10 . 1 1 21 21 PRO C C 21 176.703 176.703 176.778 -0.075 18081 5993 1 10 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.132 0.749 18081 5994 1 10 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.426 -1.389 18081 5995 1 10 . 1 1 22 22 TRP N N 22 117.898 117.898 115.911 1.987 18081 5996 1 10 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.754 -0.439 18081 5997 1 10 . 1 1 22 22 TRP C C 22 174.965 174.965 176.720 -1.755 18081 5998 1 10 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.550 2.971 18081 5999 1 10 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.964 0.307 18081 6000 1 10 . 1 1 22 22 TRP H H 22 8.759 8.759 7.451 1.308 18081 6001 1 10 . 1 1 23 23 ALA N N 23 120.887 120.887 121.180 -0.293 18081 6002 1 10 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.543 -0.619 18081 6003 1 10 . 1 1 23 23 ALA C C 23 177.520 177.520 177.829 -0.309 18081 6004 1 10 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.384 1.397 18081 6005 1 10 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.966 -1.418 18081 6006 1 10 . 1 1 23 23 ALA H H 23 7.232 7.232 7.302 -0.070 18081 6007 1 10 . 1 1 24 24 ASP N N 24 115.176 115.176 118.141 -2.965 18081 6008 1 10 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.067 0.119 18081 6009 1 10 . 1 1 24 24 ASP C C 24 176.860 176.860 175.216 1.644 18081 6010 1 10 . 1 1 24 24 ASP CA C 24 49.620 49.620 50.812 -1.192 18081 6011 1 10 . 1 1 24 24 ASP CB C 24 41.487 41.487 40.641 0.846 18081 6012 1 10 . 1 1 24 24 ASP H H 24 7.718 7.718 7.559 0.159 18081 6013 1 10 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.349 -0.050 18081 6014 1 10 . 1 1 25 25 PRO C C 25 177.445 177.445 177.605 -0.160 18081 6015 1 10 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.530 -0.049 18081 6016 1 10 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.098 -0.202 18081 6017 1 10 . 1 1 26 26 ALA N N 26 120.150 120.150 121.957 -1.807 18081 6018 1 10 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.242 0.063 18081 6019 1 10 . 1 1 26 26 ALA C C 26 179.061 179.061 178.756 0.305 18081 6020 1 10 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.378 -0.531 18081 6021 1 10 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.343 -0.091 18081 6022 1 10 . 1 1 26 26 ALA H H 26 8.158 8.158 8.076 0.082 18081 6023 1 10 . 1 1 27 27 GLN N N 27 117.617 117.617 115.899 1.718 18081 6024 1 10 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.296 0.399 18081 6025 1 10 . 1 1 27 27 GLN C C 27 175.309 175.309 176.236 -0.927 18081 6026 1 10 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.507 -1.249 18081 6027 1 10 . 1 1 27 27 GLN CB C 27 28.732 28.732 27.974 0.758 18081 6028 1 10 . 1 1 27 27 GLN H H 27 7.732 7.732 8.030 -0.297 18081 6029 1 10 . 1 1 28 28 ALA N N 28 122.069 122.069 122.399 -0.330 18081 6030 1 10 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.156 0.225 18081 6031 1 10 . 1 1 28 28 ALA C C 28 176.358 176.358 177.688 -1.330 18081 6032 1 10 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.675 0.907 18081 6033 1 10 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.068 1.853 18081 6034 1 10 . 1 1 28 28 ALA H H 28 6.996 6.996 7.123 -0.127 18081 6035 1 10 . 1 1 29 29 VAL N N 29 114.478 114.478 118.007 -3.529 18081 6036 1 10 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.685 0.022 18081 6037 1 10 . 1 1 29 29 VAL C C 29 176.252 176.252 175.130 1.122 18081 6038 1 10 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.762 1.227 18081 6039 1 10 . 1 1 29 29 VAL CB C 29 31.600 31.600 33.356 -1.756 18081 6040 1 10 . 1 1 29 29 VAL H H 29 7.868 7.868 7.760 0.108 18081 6041 1 10 . 1 1 30 30 VAL N N 30 129.718 129.718 127.362 2.356 18081 6042 1 10 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.427 -0.040 18081 6043 1 10 . 1 1 30 30 VAL C C 30 175.107 175.107 174.855 0.252 18081 6044 1 10 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.566 0.178 18081 6045 1 10 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.907 -0.650 18081 6046 1 10 . 1 1 30 30 VAL H H 30 9.556 9.556 8.410 1.146 18081 6047 1 10 . 1 1 31 31 GLN N N 31 129.372 129.372 125.278 4.094 18081 6048 1 10 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.187 -0.046 18081 6049 1 10 . 1 1 31 31 GLN C C 31 176.413 176.413 176.060 0.353 18081 6050 1 10 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.711 0.339 18081 6051 1 10 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.238 -1.187 18081 6052 1 10 . 1 1 31 31 GLN H H 31 9.153 9.153 8.830 0.323 18081 6053 1 10 . 1 1 32 32 THR N N 32 119.775 119.775 117.980 1.795 18081 6054 1 10 . 1 1 32 32 THR HA H 32 4.392 4.392 4.601 -0.209 18081 6055 1 10 . 1 1 32 32 THR C C 32 174.102 174.102 175.051 -0.949 18081 6056 1 10 . 1 1 32 32 THR CA C 32 61.678 61.678 61.417 0.261 18081 6057 1 10 . 1 1 32 32 THR CB C 32 68.775 68.775 70.154 -1.379 18081 6058 1 10 . 1 1 32 32 THR H H 32 8.266 8.266 8.185 0.081 18081 6059 1 10 . 1 1 33 33 GLY N N 33 111.761 111.761 110.948 0.813 18081 6060 1 10 . 1 1 33 33 GLY C C 33 170.586 170.586 173.602 -3.016 18081 6061 1 10 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.480 1.602 18081 6062 1 10 . 1 1 33 33 GLY H H 33 7.997 7.997 7.585 0.412 18081 6063 1 10 . 1 1 34 34 PRO C C 34 176.674 176.674 176.247 0.427 18081 6064 1 10 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.030 0.851 18081 6065 1 10 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.436 -1.075 18081 6066 1 10 . 1 1 35 35 ASN N N 35 117.681 117.681 114.433 3.248 18081 6067 1 10 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.598 0.256 18081 6068 1 10 . 1 1 35 35 ASN C C 35 173.262 173.262 172.850 0.412 18081 6069 1 10 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.203 -1.079 18081 6070 1 10 . 1 1 35 35 ASN CB C 35 39.756 39.756 38.793 0.963 18081 6071 1 10 . 1 1 35 35 ASN H H 35 8.649 8.649 8.046 0.603 18081 6072 1 10 . 1 1 36 36 GLN N N 36 119.276 119.276 116.891 2.385 18081 6073 1 10 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.912 0.655 18081 6074 1 10 . 1 1 36 36 GLN C C 36 173.292 173.292 174.131 -0.839 18081 6075 1 10 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.115 0.488 18081 6076 1 10 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.533 3.341 18081 6077 1 10 . 1 1 36 36 GLN H H 36 6.953 6.953 7.488 -0.535 18081 6078 1 10 . 1 1 37 37 TYR N N 37 125.339 125.339 124.144 1.195 18081 6079 1 10 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.820 0.244 18081 6080 1 10 . 1 1 37 37 TYR C C 37 174.321 174.321 175.996 -1.675 18081 6081 1 10 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.465 0.007 18081 6082 1 10 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.877 0.819 18081 6083 1 10 . 1 1 37 37 TYR H H 37 8.898 8.898 8.550 0.348 18081 6084 1 10 . 1 1 38 38 THR N N 38 121.935 121.935 120.641 1.294 18081 6085 1 10 . 1 1 38 38 THR HA H 38 5.098 5.098 4.478 0.620 18081 6086 1 10 . 1 1 38 38 THR C C 38 172.253 172.253 174.080 -1.827 18081 6087 1 10 . 1 1 38 38 THR CA C 38 61.589 61.589 63.000 -1.411 18081 6088 1 10 . 1 1 38 38 THR CB C 38 69.764 69.764 68.216 1.548 18081 6089 1 10 . 1 1 38 38 THR H H 38 9.592 9.592 8.976 0.616 18081 6090 1 10 . 1 1 39 39 VAL N N 39 126.189 126.189 127.235 -1.046 18081 6091 1 10 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.958 1.143 18081 6092 1 10 . 1 1 39 39 VAL C C 39 174.612 174.612 174.163 0.449 18081 6093 1 10 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.881 -2.250 18081 6094 1 10 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.594 1.477 18081 6095 1 10 . 1 1 39 39 VAL H H 39 8.710 8.710 7.817 0.893 18081 6096 1 10 . 1 1 40 40 TYR N N 40 130.243 130.243 124.811 5.432 18081 6097 1 10 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.057 -0.416 18081 6098 1 10 . 1 1 40 40 TYR C C 40 174.840 174.840 175.935 -1.095 18081 6099 1 10 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.406 2.246 18081 6100 1 10 . 1 1 40 40 TYR CB C 40 36.840 36.840 38.492 -1.652 18081 6101 1 10 . 1 1 40 40 TYR H H 40 9.139 9.139 8.304 0.835 18081 6102 1 10 . 1 1 41 41 VAL N N 41 124.415 124.415 119.954 4.461 18081 6103 1 10 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.674 0.666 18081 6104 1 10 . 1 1 41 41 VAL C C 41 175.680 175.680 174.513 1.167 18081 6105 1 10 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.515 -1.261 18081 6106 1 10 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.037 0.825 18081 6107 1 10 . 1 1 41 41 VAL H H 41 8.686 8.686 8.717 -0.031 18081 6108 1 10 . 1 1 42 42 LEU N N 42 129.148 129.148 127.358 1.790 18081 6109 1 10 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.862 0.284 18081 6110 1 10 . 1 1 42 42 LEU C C 42 175.161 175.161 175.666 -0.505 18081 6111 1 10 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.889 -1.110 18081 6112 1 10 . 1 1 42 42 LEU CB C 42 45.639 45.639 45.986 -0.347 18081 6113 1 10 . 1 1 42 42 LEU H H 42 9.694 9.694 8.374 1.320 18081 6114 1 10 . 1 1 43 43 ALA N N 43 130.434 130.434 129.309 1.125 18081 6115 1 10 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.414 0.308 18081 6116 1 10 . 1 1 43 43 ALA C C 43 173.292 173.292 175.313 -2.021 18081 6117 1 10 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.868 -1.714 18081 6118 1 10 . 1 1 43 43 ALA CB C 43 20.130 20.130 19.913 0.217 18081 6119 1 10 . 1 1 43 43 ALA H H 43 8.679 8.679 8.210 0.469 18081 6120 1 10 . 1 1 44 44 PHE N N 44 118.472 118.472 118.070 0.402 18081 6121 1 10 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.880 0.329 18081 6122 1 10 . 1 1 44 44 PHE C C 44 172.698 172.698 175.330 -2.632 18081 6123 1 10 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.297 -1.172 18081 6124 1 10 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.782 1.891 18081 6125 1 10 . 1 1 44 44 PHE H H 44 7.756 7.756 6.951 0.805 18081 6126 1 10 . 1 1 45 45 ALA N N 45 122.901 122.901 122.658 0.243 18081 6127 1 10 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.396 -0.983 18081 6128 1 10 . 1 1 45 45 ALA C C 45 177.267 177.267 176.909 0.358 18081 6129 1 10 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.522 -6.239 18081 6130 1 10 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.780 -3.000 18081 6131 1 10 . 1 1 45 45 ALA H H 45 9.739 9.739 8.776 0.963 18081 6132 1 10 . 1 1 46 46 PHE N N 46 128.515 128.515 120.342 8.173 18081 6133 1 10 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.590 0.630 18081 6134 1 10 . 1 1 46 46 PHE C C 46 173.387 173.387 175.392 -2.005 18081 6135 1 10 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.634 3.397 18081 6136 1 10 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.108 2.291 18081 6137 1 10 . 1 1 46 46 PHE H H 46 7.994 7.994 8.325 -0.331 18081 6138 1 10 . 1 1 47 47 GLY N N 47 113.741 113.741 112.124 1.617 18081 6139 1 10 . 1 1 47 47 GLY C C 47 167.774 167.774 172.754 -4.980 18081 6140 1 10 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.757 0.478 18081 6141 1 10 . 1 1 47 47 GLY H H 47 7.796 7.796 7.824 -0.028 18081 6142 1 10 . 1 1 48 48 TYR N N 48 119.637 119.637 117.758 1.879 18081 6143 1 10 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.969 0.369 18081 6144 1 10 . 1 1 48 48 TYR C C 48 175.042 175.042 174.635 0.407 18081 6145 1 10 . 1 1 48 48 TYR CA C 48 56.294 56.294 56.110 0.184 18081 6146 1 10 . 1 1 48 48 TYR CB C 48 41.962 41.962 39.885 2.077 18081 6147 1 10 . 1 1 48 48 TYR H H 48 8.370 8.370 7.918 0.452 18081 6148 1 10 . 1 1 49 49 GLN N N 49 121.776 121.776 120.801 0.975 18081 6149 1 10 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.890 -0.073 18081 6150 1 10 . 1 1 49 49 GLN CA C 49 52.334 52.334 52.739 -0.405 18081 6151 1 10 . 1 1 49 49 GLN CB C 49 33.874 33.874 28.231 5.643 18081 6152 1 10 . 1 1 49 49 GLN H H 49 9.163 9.163 8.322 0.841 18081 6153 1 10 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.557 0.185 18081 6154 1 10 . 1 1 50 50 PRO C C 50 174.271 174.271 176.223 -1.952 18081 6155 1 10 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.784 0.006 18081 6156 1 10 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.477 2.188 18081 6157 1 10 . 1 1 51 51 ASN N N 51 113.755 113.755 115.972 -2.217 18081 6158 1 10 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.964 0.116 18081 6159 1 10 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.680 -0.681 18081 6160 1 10 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.781 1.915 18081 6161 1 10 . 1 1 51 51 ASN H H 51 8.229 8.229 8.345 -0.116 18081 6162 1 10 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.350 0.921 18081 6163 1 10 . 1 1 52 52 PRO C C 52 176.525 176.525 176.468 0.057 18081 6164 1 10 . 1 1 52 52 PRO CA C 52 63.591 63.591 63.381 0.210 18081 6165 1 10 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.778 3.129 18081 6166 1 10 . 1 1 53 53 ILE N N 53 120.452 120.452 120.683 -0.231 18081 6167 1 10 . 1 1 53 53 ILE HA H 53 4.066 4.066 3.867 0.199 18081 6168 1 10 . 1 1 53 53 ILE C C 53 174.236 174.236 175.417 -1.181 18081 6169 1 10 . 1 1 53 53 ILE CA C 53 61.500 61.500 62.382 -0.881 18081 6170 1 10 . 1 1 53 53 ILE CB C 53 39.905 39.905 37.422 2.483 18081 6171 1 10 . 1 1 53 53 ILE H H 53 8.321 8.321 7.507 0.814 18081 6172 1 10 . 1 1 54 54 GLU N N 54 129.279 129.279 128.130 1.149 18081 6173 1 10 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.916 0.551 18081 6174 1 10 . 1 1 54 54 GLU C C 54 175.598 175.598 175.567 0.031 18081 6175 1 10 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.507 0.497 18081 6176 1 10 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.968 -2.061 18081 6177 1 10 . 1 1 54 54 GLU H H 54 8.458 8.458 8.049 0.409 18081 6178 1 10 . 1 1 55 55 VAL N N 55 115.767 115.767 118.045 -2.278 18081 6179 1 10 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.601 0.055 18081 6180 1 10 . 1 1 55 55 VAL C C 55 172.453 172.453 173.332 -0.879 18081 6181 1 10 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.704 -1.965 18081 6182 1 10 . 1 1 55 55 VAL CB C 55 33.972 33.972 32.756 1.216 18081 6183 1 10 . 1 1 55 55 VAL H H 55 8.492 8.492 8.139 0.353 18081 6184 1 10 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.724 -0.057 18081 6185 1 10 . 1 1 56 56 PRO C C 56 177.445 177.445 177.457 -0.012 18081 6186 1 10 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.151 -0.473 18081 6187 1 10 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.653 0.342 18081 6188 1 10 . 1 1 57 57 GLN N N 57 122.020 122.020 124.376 -2.356 18081 6189 1 10 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.069 -0.179 18081 6190 1 10 . 1 1 57 57 GLN C C 57 176.735 176.735 176.951 -0.216 18081 6191 1 10 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.351 0.521 18081 6192 1 10 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.736 -0.894 18081 6193 1 10 . 1 1 57 57 GLN H H 57 8.466 8.466 8.226 0.240 18081 6194 1 10 . 1 1 58 58 GLY N N 58 112.805 112.805 109.607 3.198 18081 6195 1 10 . 1 1 58 58 GLY C C 58 172.686 172.686 173.375 -0.689 18081 6196 1 10 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.863 1.509 18081 6197 1 10 . 1 1 58 58 GLY H H 58 8.713 8.713 8.416 0.297 18081 6198 1 10 . 1 1 59 59 ALA N N 59 122.839 122.839 122.367 0.472 18081 6199 1 10 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.540 0.011 18081 6200 1 10 . 1 1 59 59 ALA C C 59 176.659 176.659 175.429 1.230 18081 6201 1 10 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.783 -0.051 18081 6202 1 10 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.771 -1.047 18081 6203 1 10 . 1 1 59 59 ALA H H 59 6.982 6.982 7.401 -0.419 18081 6204 1 10 . 1 1 60 60 GLU N N 60 123.390 123.390 119.149 4.241 18081 6205 1 10 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.313 -0.006 18081 6206 1 10 . 1 1 60 60 GLU C C 60 173.876 173.876 175.427 -1.551 18081 6207 1 10 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.695 0.133 18081 6208 1 10 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.982 -0.668 18081 6209 1 10 . 1 1 60 60 GLU H H 60 8.260 8.260 8.144 0.116 18081 6210 1 10 . 1 1 61 61 ILE N N 61 130.883 130.883 121.932 8.951 18081 6211 1 10 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.501 0.321 18081 6212 1 10 . 1 1 61 61 ILE C C 61 175.267 175.267 175.648 -0.381 18081 6213 1 10 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.603 -1.180 18081 6214 1 10 . 1 1 61 61 ILE CB C 61 35.752 35.752 37.935 -2.183 18081 6215 1 10 . 1 1 61 61 ILE H H 61 9.103 9.103 8.429 0.674 18081 6216 1 10 . 1 1 62 62 VAL N N 62 127.879 127.879 123.707 4.172 18081 6217 1 10 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.890 -0.542 18081 6218 1 10 . 1 1 62 62 VAL C C 62 175.598 175.598 175.483 0.115 18081 6219 1 10 . 1 1 62 62 VAL CA C 62 60.743 60.743 59.633 1.110 18081 6220 1 10 . 1 1 62 62 VAL CB C 62 31.204 31.204 30.139 1.065 18081 6221 1 10 . 1 1 62 62 VAL H H 62 8.992 8.992 7.974 1.018 18081 6222 1 10 . 1 1 63 63 PHE N N 63 125.354 125.354 129.029 -3.675 18081 6223 1 10 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.489 0.504 18081 6224 1 10 . 1 1 63 63 PHE C C 63 175.507 175.507 175.242 0.265 18081 6225 1 10 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.228 -1.421 18081 6226 1 10 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.974 -0.366 18081 6227 1 10 . 1 1 63 63 PHE H H 63 9.521 9.521 8.679 0.842 18081 6228 1 10 . 1 1 64 64 LYS N N 64 123.471 123.471 121.914 1.557 18081 6229 1 10 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.370 -0.277 18081 6230 1 10 . 1 1 64 64 LYS C C 64 175.877 175.877 175.656 0.221 18081 6231 1 10 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.410 -1.029 18081 6232 1 10 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.052 -0.983 18081 6233 1 10 . 1 1 64 64 LYS H H 64 8.977 8.977 8.469 0.508 18081 6234 1 10 . 1 1 65 65 ILE N N 65 125.792 125.792 125.170 0.622 18081 6235 1 10 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.092 0.711 18081 6236 1 10 . 1 1 65 65 ILE C C 65 175.724 175.724 175.251 0.473 18081 6237 1 10 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.246 -0.482 18081 6238 1 10 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.094 1.294 18081 6239 1 10 . 1 1 65 65 ILE H H 65 9.390 9.390 8.030 1.360 18081 6240 1 10 . 1 1 66 66 THR N N 66 119.455 119.455 117.548 1.907 18081 6241 1 10 . 1 1 66 66 THR HA H 66 4.583 4.583 4.518 0.065 18081 6242 1 10 . 1 1 66 66 THR C C 66 170.978 170.978 172.360 -1.382 18081 6243 1 10 . 1 1 66 66 THR CA C 66 61.233 61.233 61.742 -0.509 18081 6244 1 10 . 1 1 66 66 THR CB C 66 70.456 70.456 69.599 0.857 18081 6245 1 10 . 1 1 66 66 THR H H 66 8.176 8.176 7.970 0.206 18081 6246 1 10 . 1 1 67 67 SER N N 67 115.523 115.523 121.723 -6.200 18081 6247 1 10 . 1 1 67 67 SER HA H 67 6.316 6.316 5.067 1.249 18081 6248 1 10 . 1 1 67 67 SER C C 67 174.516 174.516 172.652 1.864 18081 6249 1 10 . 1 1 67 67 SER CA C 67 51.222 51.222 55.446 -4.224 18081 6250 1 10 . 1 1 67 67 SER CB C 67 66.501 66.501 65.859 0.642 18081 6251 1 10 . 1 1 67 67 SER H H 67 7.190 7.190 8.302 -1.112 18081 6252 1 10 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.343 0.485 18081 6253 1 10 . 1 1 68 68 PRO C C 68 174.360 174.360 175.778 -1.418 18081 6254 1 10 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.618 -2.050 18081 6255 1 10 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.127 0.361 18081 6256 1 10 . 1 1 69 69 ASP N N 69 120.505 120.505 117.745 2.760 18081 6257 1 10 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.941 -0.193 18081 6258 1 10 . 1 1 69 69 ASP C C 69 173.775 173.775 174.504 -0.729 18081 6259 1 10 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.751 1.698 18081 6260 1 10 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.271 -0.290 18081 6261 1 10 . 1 1 69 69 ASP H H 69 8.594 8.594 8.423 0.171 18081 6262 1 10 . 1 1 70 70 VAL N N 70 120.074 120.074 115.093 4.981 18081 6263 1 10 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.410 0.164 18081 6264 1 10 . 1 1 70 70 VAL C C 70 174.866 174.866 173.925 0.941 18081 6265 1 10 . 1 1 70 70 VAL CA C 70 59.231 59.231 59.583 -0.352 18081 6266 1 10 . 1 1 70 70 VAL CB C 70 35.060 35.060 33.775 1.285 18081 6267 1 10 . 1 1 70 70 VAL H H 70 10.855 10.855 7.678 3.177 18081 6268 1 10 . 1 1 71 71 ILE N N 71 121.272 121.272 123.544 -2.272 18081 6269 1 10 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.052 0.386 18081 6270 1 10 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.894 1.540 18081 6271 1 10 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.494 1.027 18081 6272 1 10 . 1 1 71 71 ILE H H 71 7.670 7.670 8.342 -0.672 18081 6273 1 10 . 1 1 73 73 GLY C C 73 172.580 172.580 172.137 0.443 18081 6274 1 10 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.735 -0.321 18081 6275 1 10 . 1 1 74 74 PHE N N 74 123.714 123.714 118.817 4.897 18081 6276 1 10 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.989 -0.704 18081 6277 1 10 . 1 1 74 74 PHE C C 74 171.502 171.502 174.111 -2.609 18081 6278 1 10 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.933 3.764 18081 6279 1 10 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.548 -0.753 18081 6280 1 10 . 1 1 74 74 PHE H H 74 8.712 8.712 7.181 1.531 18081 6281 1 10 . 1 1 75 75 HIS N N 75 124.835 124.835 123.938 0.897 18081 6282 1 10 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.726 0.732 18081 6283 1 10 . 1 1 75 75 HIS C C 75 172.817 172.817 173.821 -1.004 18081 6284 1 10 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.719 -2.296 18081 6285 1 10 . 1 1 75 75 HIS CB C 75 29.523 29.523 30.096 -0.573 18081 6286 1 10 . 1 1 75 75 HIS H H 75 7.786 7.786 8.688 -0.902 18081 6287 1 10 . 1 1 76 76 VAL N N 76 124.569 124.569 126.989 -2.420 18081 6288 1 10 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.888 0.405 18081 6289 1 10 . 1 1 76 76 VAL C C 76 175.843 175.843 175.565 0.278 18081 6290 1 10 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.770 -0.071 18081 6291 1 10 . 1 1 76 76 VAL CB C 76 30.368 30.368 32.109 -1.742 18081 6292 1 10 . 1 1 76 76 VAL H H 76 6.558 6.558 7.787 -1.229 18081 6293 1 10 . 1 1 77 77 GLU N N 77 132.091 132.091 126.381 5.710 18081 6294 1 10 . 1 1 77 77 GLU HA H 77 3.889 3.889 3.868 0.021 18081 6295 1 10 . 1 1 77 77 GLU C C 77 176.941 176.941 177.443 -0.502 18081 6296 1 10 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.748 1.949 18081 6297 1 10 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.134 0.080 18081 6298 1 10 . 1 1 77 77 GLU H H 77 8.977 8.977 7.900 1.077 18081 6299 1 10 . 1 1 78 78 GLY N N 78 111.143 111.143 106.845 4.298 18081 6300 1 10 . 1 1 78 78 GLY C C 78 174.152 174.152 173.989 0.163 18081 6301 1 10 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.644 -0.384 18081 6302 1 10 . 1 1 78 78 GLY H H 78 8.052 8.052 8.687 -0.635 18081 6303 1 10 . 1 1 79 79 THR N N 79 109.705 109.705 116.690 -6.985 18081 6304 1 10 . 1 1 79 79 THR HA H 79 4.949 4.949 4.510 0.439 18081 6305 1 10 . 1 1 79 79 THR C C 79 173.397 173.397 173.385 0.012 18081 6306 1 10 . 1 1 79 79 THR CA C 79 60.076 60.076 60.198 -0.122 18081 6307 1 10 . 1 1 79 79 THR CB C 79 72.829 72.829 70.592 2.237 18081 6308 1 10 . 1 1 79 79 THR H H 79 7.810 7.810 7.585 0.225 18081 6309 1 10 . 1 1 80 80 ASN N N 80 116.427 116.427 120.882 -4.455 18081 6310 1 10 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.777 0.143 18081 6311 1 10 . 1 1 80 80 ASN C C 80 175.665 175.665 174.359 1.306 18081 6312 1 10 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.069 -1.046 18081 6313 1 10 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.776 -0.244 18081 6314 1 10 . 1 1 80 80 ASN H H 80 7.856 7.856 8.689 -0.833 18081 6315 1 10 . 1 1 81 81 ILE N N 81 121.552 121.552 122.812 -1.260 18081 6316 1 10 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.138 -0.341 18081 6317 1 10 . 1 1 81 81 ILE C C 81 176.564 176.564 174.676 1.888 18081 6318 1 10 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.565 0.958 18081 6319 1 10 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.467 -0.366 18081 6320 1 10 . 1 1 81 81 ILE H H 81 8.493 8.493 7.390 1.103 18081 6321 1 10 . 1 1 82 82 ASN N N 82 131.507 131.507 128.568 2.939 18081 6322 1 10 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.937 0.214 18081 6323 1 10 . 1 1 82 82 ASN C C 82 173.025 173.025 174.349 -1.324 18081 6324 1 10 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.850 2.417 18081 6325 1 10 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.040 0.766 18081 6326 1 10 . 1 1 82 82 ASN H H 82 8.911 8.911 8.587 0.324 18081 6327 1 10 . 1 1 83 83 VAL N N 83 120.866 120.866 118.879 1.987 18081 6328 1 10 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.434 0.231 18081 6329 1 10 . 1 1 83 83 VAL C C 83 173.954 173.954 174.122 -0.168 18081 6330 1 10 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.459 -1.339 18081 6331 1 10 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.478 3.175 18081 6332 1 10 . 1 1 83 83 VAL H H 83 8.356 8.356 8.293 0.063 18081 6333 1 10 . 1 1 84 84 GLU N N 84 125.997 125.997 126.337 -0.340 18081 6334 1 10 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.402 0.185 18081 6335 1 10 . 1 1 84 84 GLU C C 84 174.600 174.600 174.427 0.173 18081 6336 1 10 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.023 0.004 18081 6337 1 10 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.656 -0.847 18081 6338 1 10 . 1 1 84 84 GLU H H 84 8.534 8.534 8.396 0.138 18081 6339 1 10 . 1 1 85 85 VAL N N 85 125.888 125.888 123.666 2.222 18081 6340 1 10 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.324 -0.275 18081 6341 1 10 . 1 1 85 85 VAL C C 85 173.256 173.256 174.505 -1.249 18081 6342 1 10 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.697 0.820 18081 6343 1 10 . 1 1 85 85 VAL CB C 85 32.786 32.786 35.475 -2.689 18081 6344 1 10 . 1 1 85 85 VAL H H 85 8.782 8.782 7.736 1.046 18081 6345 1 10 . 1 1 86 86 LEU N N 86 128.745 128.745 125.115 3.630 18081 6346 1 10 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.487 0.314 18081 6347 1 10 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.444 -1.510 18081 6348 1 10 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.794 1.616 18081 6349 1 10 . 1 1 86 86 LEU H H 86 9.131 9.131 8.453 0.678 18081 6350 1 10 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.309 0.355 18081 6351 1 10 . 1 1 87 87 PRO C C 87 178.454 178.454 177.534 0.920 18081 6352 1 10 . 1 1 87 87 PRO CA C 87 62.612 62.612 62.935 -0.323 18081 6353 1 10 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.326 -1.121 18081 6354 1 10 . 1 1 88 88 GLY N N 88 112.804 112.804 108.758 4.046 18081 6355 1 10 . 1 1 88 88 GLY C C 88 173.451 173.451 173.085 0.366 18081 6356 1 10 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.128 -0.046 18081 6357 1 10 . 1 1 88 88 GLY H H 88 9.103 9.103 8.476 0.627 18081 6358 1 10 . 1 1 89 89 GLU N N 89 118.355 118.355 115.778 2.577 18081 6359 1 10 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.593 0.506 18081 6360 1 10 . 1 1 89 89 GLU C C 89 176.719 176.719 174.780 1.939 18081 6361 1 10 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.625 -0.378 18081 6362 1 10 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.628 0.235 18081 6363 1 10 . 1 1 89 89 GLU H H 89 7.764 7.764 7.439 0.325 18081 6364 1 10 . 1 1 90 90 VAL N N 90 127.142 127.142 122.385 4.757 18081 6365 1 10 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.003 -0.503 18081 6366 1 10 . 1 1 90 90 VAL C C 90 176.838 176.838 176.103 0.735 18081 6367 1 10 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.648 0.208 18081 6368 1 10 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.354 0.784 18081 6369 1 10 . 1 1 90 90 VAL H H 90 8.830 8.830 8.853 -0.023 18081 6370 1 10 . 1 1 91 91 SER N N 91 127.859 127.859 122.050 5.809 18081 6371 1 10 . 1 1 91 91 SER HA H 91 4.924 4.924 4.742 0.182 18081 6372 1 10 . 1 1 91 91 SER C C 91 173.015 173.015 173.791 -0.776 18081 6373 1 10 . 1 1 91 91 SER CA C 91 58.118 58.118 56.721 1.397 18081 6374 1 10 . 1 1 91 91 SER CB C 91 63.931 63.931 65.123 -1.192 18081 6375 1 10 . 1 1 91 91 SER H H 91 9.710 9.710 8.323 1.387 18081 6376 1 10 . 1 1 92 92 THR N N 92 122.627 122.627 121.040 1.587 18081 6377 1 10 . 1 1 92 92 THR HA H 92 5.682 5.682 5.451 0.231 18081 6378 1 10 . 1 1 92 92 THR C C 92 174.480 174.480 174.421 0.059 18081 6379 1 10 . 1 1 92 92 THR CA C 92 61.856 61.856 60.882 0.974 18081 6380 1 10 . 1 1 92 92 THR CB C 92 70.160 70.160 70.157 0.003 18081 6381 1 10 . 1 1 92 92 THR H H 92 8.864 8.864 8.559 0.305 18081 6382 1 10 . 1 1 93 93 VAL N N 93 126.698 126.698 124.910 1.788 18081 6383 1 10 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.401 0.106 18081 6384 1 10 . 1 1 93 93 VAL C C 93 173.002 173.002 174.482 -1.480 18081 6385 1 10 . 1 1 93 93 VAL CA C 93 60.654 60.654 62.093 -1.440 18081 6386 1 10 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.833 -0.180 18081 6387 1 10 . 1 1 93 93 VAL H H 93 8.806 8.806 8.337 0.469 18081 6388 1 10 . 1 1 94 94 ARG N N 94 126.396 126.396 128.057 -1.661 18081 6389 1 10 . 1 1 94 94 ARG HA H 94 5.890 5.890 4.945 0.945 18081 6390 1 10 . 1 1 94 94 ARG C C 94 175.885 175.885 175.376 0.509 18081 6391 1 10 . 1 1 94 94 ARG CA C 94 54.381 54.381 55.222 -0.841 18081 6392 1 10 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.540 2.048 18081 6393 1 10 . 1 1 94 94 ARG H H 94 8.630 8.630 8.680 -0.050 18081 6394 1 10 . 1 1 95 95 TYR N N 95 126.390 126.390 126.638 -0.248 18081 6395 1 10 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.693 -0.373 18081 6396 1 10 . 1 1 95 95 TYR C C 95 172.683 172.683 173.904 -1.221 18081 6397 1 10 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.318 1.268 18081 6398 1 10 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.061 3.392 18081 6399 1 10 . 1 1 95 95 TYR H H 95 9.623 9.623 8.218 1.405 18081 6400 1 10 . 1 1 96 96 THR N N 96 121.396 121.396 121.157 0.239 18081 6401 1 10 . 1 1 96 96 THR HA H 96 4.684 4.684 4.697 -0.013 18081 6402 1 10 . 1 1 96 96 THR C C 96 172.729 172.729 173.033 -0.304 18081 6403 1 10 . 1 1 96 96 THR CA C 96 61.322 61.322 60.766 0.556 18081 6404 1 10 . 1 1 96 96 THR CB C 96 70.160 70.160 70.709 -0.549 18081 6405 1 10 . 1 1 96 96 THR H H 96 6.742 6.742 7.992 -1.250 18081 6406 1 10 . 1 1 97 97 PHE N N 97 126.539 126.539 124.854 1.685 18081 6407 1 10 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.566 -0.113 18081 6408 1 10 . 1 1 97 97 PHE C C 97 176.075 176.075 176.021 0.054 18081 6409 1 10 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.782 0.425 18081 6410 1 10 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.799 -1.891 18081 6411 1 10 . 1 1 97 97 PHE H H 97 8.933 8.933 8.673 0.260 18081 6412 1 10 . 1 1 98 98 LYS N N 98 123.417 123.417 119.472 3.945 18081 6413 1 10 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.418 -0.025 18081 6414 1 10 . 1 1 98 98 LYS C C 98 175.939 175.939 175.590 0.349 18081 6415 1 10 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.358 0.425 18081 6416 1 10 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.725 -0.741 18081 6417 1 10 . 1 1 98 98 LYS H H 98 8.604 8.604 8.884 -0.280 18081 6418 1 10 . 1 1 99 99 ARG N N 99 118.424 118.424 119.420 -0.996 18081 6419 1 10 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.727 0.293 18081 6420 1 10 . 1 1 99 99 ARG C C 99 174.332 174.332 173.560 0.772 18081 6421 1 10 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.422 -0.821 18081 6422 1 10 . 1 1 99 99 ARG CB C 99 31.600 31.600 29.625 1.974 18081 6423 1 10 . 1 1 99 99 ARG H H 99 7.801 7.801 7.968 -0.167 18081 6424 1 10 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.273 0.110 18081 6425 1 10 . 1 1 100 100 PRO C C 100 175.190 175.190 176.576 -1.386 18081 6426 1 10 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.506 0.062 18081 6427 1 10 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.199 0.389 18081 6428 1 10 . 1 1 101 101 GLY N N 101 108.626 108.626 107.094 1.532 18081 6429 1 10 . 1 1 101 101 GLY C C 101 171.375 171.375 172.225 -0.850 18081 6430 1 10 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.751 -0.647 18081 6431 1 10 . 1 1 101 101 GLY H H 101 8.685 8.685 7.615 1.070 18081 6432 1 10 . 1 1 102 102 GLU N N 102 119.327 119.327 122.885 -3.558 18081 6433 1 10 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.455 0.696 18081 6434 1 10 . 1 1 102 102 GLU C C 102 176.066 176.066 175.062 1.004 18081 6435 1 10 . 1 1 102 102 GLU CA C 102 55.404 55.404 54.853 0.551 18081 6436 1 10 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.093 0.111 18081 6437 1 10 . 1 1 102 102 GLU H H 102 8.144 8.144 8.336 -0.192 18081 6438 1 10 . 1 1 103 103 TYR N N 103 125.807 125.807 119.408 6.399 18081 6439 1 10 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.888 -0.242 18081 6440 1 10 . 1 1 103 103 TYR C C 103 174.711 174.711 173.790 0.921 18081 6441 1 10 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.741 -0.403 18081 6442 1 10 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.704 -0.515 18081 6443 1 10 . 1 1 103 103 TYR H H 103 9.687 9.687 8.343 1.344 18081 6444 1 10 . 1 1 104 104 ARG N N 104 124.463 124.463 123.107 1.356 18081 6445 1 10 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.771 -0.144 18081 6446 1 10 . 1 1 104 104 ARG C C 104 174.570 174.570 174.419 0.151 18081 6447 1 10 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.796 0.969 18081 6448 1 10 . 1 1 104 104 ARG CB C 104 31.698 31.698 31.169 0.529 18081 6449 1 10 . 1 1 104 104 ARG H H 104 8.902 8.902 8.812 0.090 18081 6450 1 10 . 1 1 105 105 ILE N N 105 124.589 124.589 122.936 1.653 18081 6451 1 10 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.598 -0.229 18081 6452 1 10 . 1 1 105 105 ILE C C 105 175.576 175.576 173.106 2.470 18081 6453 1 10 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.033 -1.098 18081 6454 1 10 . 1 1 105 105 ILE CB C 105 39.811 39.811 40.566 -0.755 18081 6455 1 10 . 1 1 105 105 ILE H H 105 8.289 8.289 8.371 -0.082 18081 6456 1 10 . 1 1 106 106 ILE N N 106 121.777 121.777 127.245 -5.468 18081 6457 1 10 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.695 0.343 18081 6458 1 10 . 1 1 106 106 ILE CA C 106 59.223 59.223 59.727 -0.504 18081 6459 1 10 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.259 3.216 18081 6460 1 10 . 1 1 106 106 ILE H H 106 8.765 8.765 8.629 0.136 18081 6461 1 10 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.471 -0.349 18081 6462 1 10 . 1 1 109 109 GLN C C 109 175.724 175.724 173.759 1.965 18081 6463 1 10 . 1 1 109 109 GLN CA C 109 56.472 56.472 55.238 1.234 18081 6464 1 10 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.018 -0.890 18081 6465 1 10 . 1 1 110 110 TYR N N 110 120.856 120.856 124.110 -3.254 18081 6466 1 10 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.322 0.167 18081 6467 1 10 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.952 -1.966 18081 6468 1 10 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.868 -0.941 18081 6469 1 10 . 1 1 110 110 TYR H H 110 8.191 8.191 8.644 -0.453 18081 6470 1 10 . 1 1 111 111 CYS N N 111 120.561 120.561 119.564 0.997 18081 6471 1 10 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.450 -0.067 18081 6472 1 10 . 1 1 111 111 CYS C C 111 174.692 174.692 173.729 0.963 18081 6473 1 10 . 1 1 111 111 CYS CA C 111 58.617 58.617 58.115 0.502 18081 6474 1 10 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.529 -0.553 18081 6475 1 10 . 1 1 111 111 CYS H H 111 8.166 8.166 8.177 -0.011 18081 6476 1 10 . 1 1 112 112 GLY N N 112 111.467 111.467 109.530 1.937 18081 6477 1 10 . 1 1 112 112 GLY C C 112 173.900 173.900 174.154 -0.254 18081 6478 1 10 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.501 -0.356 18081 6479 1 10 . 1 1 112 112 GLY H H 112 8.239 8.239 7.690 0.549 18081 6480 1 10 . 1 1 113 113 LEU N N 113 122.150 122.150 121.642 0.508 18081 6481 1 10 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.029 0.295 18081 6482 1 10 . 1 1 113 113 LEU C C 113 178.068 178.068 176.823 1.245 18081 6483 1 10 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.127 -0.409 18081 6484 1 10 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.665 0.414 18081 6485 1 10 . 1 1 113 113 LEU H H 113 8.179 8.179 8.076 0.103 18081 6486 1 10 . 1 1 114 114 GLY N N 114 109.278 109.278 115.643 -6.365 18081 6487 1 10 . 1 1 114 114 GLY C C 114 174.142 174.142 174.021 0.121 18081 6488 1 10 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.260 0.090 18081 6489 1 10 . 1 1 114 114 GLY H H 114 8.393 8.393 8.031 0.362 18081 6490 1 10 . 1 1 117 117 ASN N N 117 120.387 120.387 111.863 8.524 18081 6491 1 10 . 1 1 117 117 ASN HA H 117 4.678 4.678 5.412 -0.734 18081 6492 1 10 . 1 1 117 117 ASN C C 117 174.422 174.422 173.570 0.852 18081 6493 1 10 . 1 1 117 117 ASN CA C 117 53.179 53.179 52.049 1.130 18081 6494 1 10 . 1 1 117 117 ASN CB C 117 39.015 39.015 40.768 -1.753 18081 6495 1 10 . 1 1 117 117 ASN H H 117 8.522 8.522 7.416 1.106 18081 6496 1 10 . 1 1 118 118 MET N N 118 120.526 120.526 114.234 6.292 18081 6497 1 10 . 1 1 118 118 MET C C 118 173.321 173.321 174.163 -0.842 18081 6498 1 10 . 1 1 118 118 MET CA C 118 55.360 55.360 54.838 0.522 18081 6499 1 10 . 1 1 118 118 MET CB C 118 34.467 34.467 35.409 -0.942 18081 6500 1 10 . 1 1 118 118 MET H H 118 7.981 7.981 8.063 -0.082 18081 6501 1 10 . 1 1 119 119 PHE N N 119 119.704 119.704 118.733 0.971 18081 6502 1 10 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.796 1.026 18081 6503 1 10 . 1 1 119 119 PHE C C 119 174.894 174.894 176.931 -2.037 18081 6504 1 10 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.497 -1.381 18081 6505 1 10 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.132 3.245 18081 6506 1 10 . 1 1 119 119 PHE H H 119 8.068 8.068 8.711 -0.643 18081 6507 1 10 . 1 1 120 120 GLY N N 120 109.869 109.869 111.816 -1.947 18081 6508 1 10 . 1 1 120 120 GLY C C 120 172.817 172.817 173.775 -0.958 18081 6509 1 10 . 1 1 120 120 GLY CA C 120 44.281 44.281 45.160 -0.879 18081 6510 1 10 . 1 1 120 120 GLY H H 120 8.984 8.984 8.583 0.401 18081 6511 1 10 . 1 1 121 121 THR N N 121 115.820 115.820 114.512 1.308 18081 6512 1 10 . 1 1 121 121 THR HA H 121 5.068 5.068 4.460 0.608 18081 6513 1 10 . 1 1 121 121 THR C C 121 173.062 173.062 173.367 -0.305 18081 6514 1 10 . 1 1 121 121 THR CA C 121 62.745 62.745 62.253 0.492 18081 6515 1 10 . 1 1 121 121 THR CB C 121 72.533 72.533 71.278 1.255 18081 6516 1 10 . 1 1 121 121 THR H H 121 8.123 8.123 8.121 0.002 18081 6517 1 10 . 1 1 122 122 ILE N N 122 127.420 127.420 127.673 -0.253 18081 6518 1 10 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.245 0.590 18081 6519 1 10 . 1 1 122 122 ILE C C 122 174.260 174.260 172.970 1.290 18081 6520 1 10 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.859 -0.783 18081 6521 1 10 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.304 -1.905 18081 6522 1 10 . 1 1 122 122 ILE H H 122 9.152 9.152 8.976 0.176 18081 6523 1 10 . 1 1 123 123 VAL N N 123 130.032 130.032 126.859 3.173 18081 6524 1 10 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.322 0.057 18081 6525 1 10 . 1 1 123 123 VAL C C 123 174.012 174.012 173.402 0.610 18081 6526 1 10 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.011 2.800 18081 6527 1 10 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.255 -1.975 18081 6528 1 10 . 1 1 123 123 VAL H H 123 9.601 9.601 7.893 1.708 18081 6529 1 10 . 1 1 124 124 VAL N N 124 128.765 128.765 128.648 0.117 18081 6530 1 10 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.473 0.226 18081 6531 1 10 . 1 1 124 124 VAL C C 124 177.239 177.239 175.360 1.879 18081 6532 1 10 . 1 1 124 124 VAL CA C 124 60.565 60.565 59.627 0.938 18081 6533 1 10 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.198 -0.895 18081 6534 1 10 . 1 1 124 124 VAL H H 124 9.056 9.056 7.769 1.287 18081 6535 1 10 . 1 1 125 125 LYS N N 125 129.953 129.953 127.665 2.288 18081 6536 1 10 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.590 -0.249 18081 6537 1 10 . 1 1 125 125 LYS C C 125 175.317 175.317 175.961 -0.644 18081 6538 1 10 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.688 1.761 18081 6539 1 10 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.138 0.439 18081 6540 1 10 . 1 1 125 125 LYS H H 125 8.854 8.854 8.594 0.260 18081 6541 1 11 . 1 1 2 2 VAL N N 2 126.137 126.137 122.442 3.695 18081 6542 1 11 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.411 -0.385 18081 6543 1 11 . 1 1 2 2 VAL C C 2 176.484 176.484 174.273 2.211 18081 6544 1 11 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.263 0.305 18081 6545 1 11 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.926 0.465 18081 6546 1 11 . 1 1 2 2 VAL H H 2 8.035 8.035 8.050 -0.015 18081 6547 1 11 . 1 1 3 3 ILE N N 3 124.059 124.059 119.290 4.769 18081 6548 1 11 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.634 -0.139 18081 6549 1 11 . 1 1 3 3 ILE C C 3 174.606 174.606 174.732 -0.126 18081 6550 1 11 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.336 0.049 18081 6551 1 11 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.596 0.925 18081 6552 1 11 . 1 1 3 3 ILE H H 3 7.856 7.856 7.888 -0.032 18081 6553 1 11 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.486 -0.113 18081 6554 1 11 . 1 1 4 4 PRO C C 4 176.585 176.585 176.567 0.018 18081 6555 1 11 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.504 0.686 18081 6556 1 11 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.064 -0.100 18081 6557 1 11 . 1 1 5 5 ALA N N 5 125.371 125.371 121.188 4.183 18081 6558 1 11 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.313 -0.026 18081 6559 1 11 . 1 1 5 5 ALA C C 5 178.454 178.454 177.693 0.761 18081 6560 1 11 . 1 1 5 5 ALA CA C 5 52.735 52.735 51.896 0.839 18081 6561 1 11 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.681 -0.638 18081 6562 1 11 . 1 1 5 5 ALA H H 5 8.458 8.458 8.059 0.399 18081 6563 1 11 . 1 1 6 6 GLY N N 6 108.626 108.626 105.422 3.204 18081 6564 1 11 . 1 1 6 6 GLY C C 6 173.996 173.996 174.613 -0.617 18081 6565 1 11 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.279 -0.108 18081 6566 1 11 . 1 1 6 6 GLY H H 6 8.378 8.378 8.421 -0.043 18081 6567 1 11 . 1 1 7 7 LYS N N 7 121.320 121.320 117.328 3.992 18081 6568 1 11 . 1 1 7 7 LYS HA H 7 4.329 4.329 3.960 0.369 18081 6569 1 11 . 1 1 7 7 LYS C C 7 176.362 176.362 175.528 0.834 18081 6570 1 11 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.778 -0.662 18081 6571 1 11 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.505 -0.521 18081 6572 1 11 . 1 1 7 7 LYS H H 7 7.976 7.976 7.957 0.019 18081 6573 1 11 . 1 1 8 8 LEU N N 8 124.548 124.548 114.215 10.333 18081 6574 1 11 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.120 0.271 18081 6575 1 11 . 1 1 8 8 LEU C C 8 176.772 176.772 175.032 1.740 18081 6576 1 11 . 1 1 8 8 LEU CA C 8 55.182 55.182 56.381 -1.199 18081 6577 1 11 . 1 1 8 8 LEU CB C 8 42.475 42.475 41.944 0.531 18081 6578 1 11 . 1 1 8 8 LEU H H 8 8.283 8.283 8.430 -0.147 18081 6579 1 11 . 1 1 9 9 GLU N N 9 124.888 124.888 118.035 6.853 18081 6580 1 11 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.594 -0.204 18081 6581 1 11 . 1 1 9 9 GLU C C 9 174.919 174.919 175.208 -0.289 18081 6582 1 11 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.504 1.968 18081 6583 1 11 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.217 -1.606 18081 6584 1 11 . 1 1 9 9 GLU H H 9 8.679 8.679 8.614 0.065 18081 6585 1 11 . 1 1 10 10 ARG N N 10 123.557 123.557 122.856 0.701 18081 6586 1 11 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.472 0.500 18081 6587 1 11 . 1 1 10 10 ARG C C 10 175.727 175.727 175.670 0.057 18081 6588 1 11 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.767 -0.682 18081 6589 1 11 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.069 1.476 18081 6590 1 11 . 1 1 10 10 ARG H H 10 8.248 8.248 8.179 0.069 18081 6591 1 11 . 1 1 11 11 VAL N N 11 118.077 118.077 121.331 -3.254 18081 6592 1 11 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.582 -0.202 18081 6593 1 11 . 1 1 11 11 VAL C C 11 173.297 173.297 174.739 -1.442 18081 6594 1 11 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.510 0.076 18081 6595 1 11 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.765 -0.002 18081 6596 1 11 . 1 1 11 11 VAL H H 11 8.039 8.039 7.963 0.076 18081 6597 1 11 . 1 1 12 12 ASP N N 12 123.786 123.786 116.962 6.824 18081 6598 1 11 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.020 -0.069 18081 6599 1 11 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.559 -0.960 18081 6600 1 11 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.681 -2.293 18081 6601 1 11 . 1 1 12 12 ASP H H 12 8.313 8.313 8.118 0.195 18081 6602 1 11 . 1 1 13 13 PRO C C 13 177.705 177.705 177.544 0.161 18081 6603 1 11 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.140 0.599 18081 6604 1 11 . 1 1 13 13 PRO CB C 13 31.622 31.622 32.002 -0.380 18081 6605 1 11 . 1 1 14 14 THR N N 14 109.188 109.188 115.385 -6.197 18081 6606 1 11 . 1 1 14 14 THR HA H 14 4.252 4.252 3.992 0.260 18081 6607 1 11 . 1 1 14 14 THR C C 14 176.733 176.733 175.213 1.520 18081 6608 1 11 . 1 1 14 14 THR CA C 14 63.996 63.996 65.591 -1.595 18081 6609 1 11 . 1 1 14 14 THR CB C 14 69.270 69.270 68.868 0.401 18081 6610 1 11 . 1 1 14 14 THR H H 14 8.413 8.413 7.895 0.518 18081 6611 1 11 . 1 1 15 15 THR N N 15 108.904 108.904 108.298 0.606 18081 6612 1 11 . 1 1 15 15 THR HA H 15 4.733 4.733 4.486 0.247 18081 6613 1 11 . 1 1 15 15 THR C C 15 177.174 177.174 174.526 2.648 18081 6614 1 11 . 1 1 15 15 THR CA C 15 61.589 61.589 60.977 0.612 18081 6615 1 11 . 1 1 15 15 THR CB C 15 70.654 70.654 70.374 0.280 18081 6616 1 11 . 1 1 15 15 THR H H 15 7.413 7.413 7.854 -0.441 18081 6617 1 11 . 1 1 16 16 VAL N N 16 122.387 122.387 123.344 -0.957 18081 6618 1 11 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.793 0.405 18081 6619 1 11 . 1 1 16 16 VAL C C 16 175.683 175.683 175.428 0.255 18081 6620 1 11 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.428 0.024 18081 6621 1 11 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.987 -0.486 18081 6622 1 11 . 1 1 16 16 VAL H H 16 7.143 7.143 7.424 -0.281 18081 6623 1 11 . 1 1 17 17 ARG N N 17 115.917 115.917 114.684 1.233 18081 6624 1 11 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.373 -0.102 18081 6625 1 11 . 1 1 17 17 ARG C C 17 175.861 175.861 178.300 -2.439 18081 6626 1 11 . 1 1 17 17 ARG CA C 17 57.050 57.050 58.032 -0.982 18081 6627 1 11 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.345 -0.319 18081 6628 1 11 . 1 1 17 17 ARG H H 17 8.227 8.227 8.226 0.001 18081 6629 1 11 . 1 1 18 18 GLN N N 18 117.044 117.044 118.206 -1.162 18081 6630 1 11 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.283 0.116 18081 6631 1 11 . 1 1 18 18 GLN C C 18 175.506 175.506 175.786 -0.280 18081 6632 1 11 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.526 -0.387 18081 6633 1 11 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.597 1.212 18081 6634 1 11 . 1 1 18 18 GLN H H 18 7.765 7.765 8.140 -0.375 18081 6635 1 11 . 1 1 19 19 GLU N N 19 118.659 118.659 117.067 1.592 18081 6636 1 11 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.576 -0.017 18081 6637 1 11 . 1 1 19 19 GLU C C 19 175.081 175.081 175.114 -0.033 18081 6638 1 11 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.596 -0.414 18081 6639 1 11 . 1 1 19 19 GLU CB C 19 32.391 32.391 33.063 -0.672 18081 6640 1 11 . 1 1 19 19 GLU H H 19 8.070 8.070 8.394 -0.324 18081 6641 1 11 . 1 1 20 20 GLY N N 20 113.694 113.694 109.849 3.845 18081 6642 1 11 . 1 1 20 20 GLY C C 20 174.150 174.150 172.629 1.521 18081 6643 1 11 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.715 -0.167 18081 6644 1 11 . 1 1 20 20 GLY H H 20 8.933 8.933 8.222 0.711 18081 6645 1 11 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.201 -0.528 18081 6646 1 11 . 1 1 21 21 PRO C C 21 176.703 176.703 177.133 -0.430 18081 6647 1 11 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.707 0.174 18081 6648 1 11 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.096 -1.059 18081 6649 1 11 . 1 1 22 22 TRP N N 22 117.898 117.898 115.900 1.998 18081 6650 1 11 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.691 -0.376 18081 6651 1 11 . 1 1 22 22 TRP C C 22 174.965 174.965 176.418 -1.453 18081 6652 1 11 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.779 2.742 18081 6653 1 11 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.573 0.698 18081 6654 1 11 . 1 1 22 22 TRP H H 22 8.759 8.759 8.162 0.597 18081 6655 1 11 . 1 1 23 23 ALA N N 23 120.887 120.887 121.727 -0.840 18081 6656 1 11 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.596 -0.672 18081 6657 1 11 . 1 1 23 23 ALA C C 23 177.520 177.520 178.107 -0.587 18081 6658 1 11 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.132 1.649 18081 6659 1 11 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.754 -1.206 18081 6660 1 11 . 1 1 23 23 ALA H H 23 7.232 7.232 7.096 0.136 18081 6661 1 11 . 1 1 24 24 ASP N N 24 115.176 115.176 117.910 -2.734 18081 6662 1 11 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.118 0.068 18081 6663 1 11 . 1 1 24 24 ASP C C 24 176.860 176.860 175.252 1.608 18081 6664 1 11 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.146 -1.526 18081 6665 1 11 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.888 -1.401 18081 6666 1 11 . 1 1 24 24 ASP H H 24 7.718 7.718 7.488 0.230 18081 6667 1 11 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.408 -0.109 18081 6668 1 11 . 1 1 25 25 PRO C C 25 177.445 177.445 177.120 0.325 18081 6669 1 11 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.672 -0.191 18081 6670 1 11 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.072 -0.176 18081 6671 1 11 . 1 1 26 26 ALA N N 26 120.150 120.150 121.505 -1.355 18081 6672 1 11 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.254 0.051 18081 6673 1 11 . 1 1 26 26 ALA C C 26 179.061 179.061 178.097 0.964 18081 6674 1 11 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.983 -0.137 18081 6675 1 11 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.564 -0.312 18081 6676 1 11 . 1 1 26 26 ALA H H 26 8.158 8.158 7.891 0.267 18081 6677 1 11 . 1 1 27 27 GLN N N 27 117.617 117.617 115.325 2.292 18081 6678 1 11 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.528 0.167 18081 6679 1 11 . 1 1 27 27 GLN C C 27 175.309 175.309 175.663 -0.354 18081 6680 1 11 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.549 -0.291 18081 6681 1 11 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.378 0.354 18081 6682 1 11 . 1 1 27 27 GLN H H 27 7.732 7.732 7.615 0.117 18081 6683 1 11 . 1 1 28 28 ALA N N 28 122.069 122.069 122.547 -0.478 18081 6684 1 11 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.383 -0.002 18081 6685 1 11 . 1 1 28 28 ALA C C 28 176.358 176.358 176.917 -0.559 18081 6686 1 11 . 1 1 28 28 ALA CA C 28 55.582 55.582 53.998 1.583 18081 6687 1 11 . 1 1 28 28 ALA CB C 28 20.921 20.921 20.329 0.592 18081 6688 1 11 . 1 1 28 28 ALA H H 28 6.996 6.996 7.432 -0.436 18081 6689 1 11 . 1 1 29 29 VAL N N 29 114.478 114.478 117.606 -3.128 18081 6690 1 11 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.638 0.069 18081 6691 1 11 . 1 1 29 29 VAL C C 29 176.252 176.252 175.293 0.959 18081 6692 1 11 . 1 1 29 29 VAL CA C 29 61.989 61.989 61.712 0.277 18081 6693 1 11 . 1 1 29 29 VAL CB C 29 31.600 31.600 30.908 0.692 18081 6694 1 11 . 1 1 29 29 VAL H H 29 7.868 7.868 8.015 -0.147 18081 6695 1 11 . 1 1 30 30 VAL N N 30 129.718 129.718 126.140 3.578 18081 6696 1 11 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.464 -0.077 18081 6697 1 11 . 1 1 30 30 VAL C C 30 175.107 175.107 175.311 -0.204 18081 6698 1 11 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.224 0.519 18081 6699 1 11 . 1 1 30 30 VAL CB C 30 35.258 35.258 34.752 0.506 18081 6700 1 11 . 1 1 30 30 VAL H H 30 9.556 9.556 8.173 1.383 18081 6701 1 11 . 1 1 31 31 GLN N N 31 129.372 129.372 125.598 3.774 18081 6702 1 11 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.200 -0.059 18081 6703 1 11 . 1 1 31 31 GLN C C 31 176.413 176.413 176.135 0.278 18081 6704 1 11 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.640 0.410 18081 6705 1 11 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.695 -1.644 18081 6706 1 11 . 1 1 31 31 GLN H H 31 9.153 9.153 8.813 0.340 18081 6707 1 11 . 1 1 32 32 THR N N 32 119.775 119.775 117.561 2.214 18081 6708 1 11 . 1 1 32 32 THR HA H 32 4.392 4.392 4.488 -0.096 18081 6709 1 11 . 1 1 32 32 THR C C 32 174.102 174.102 175.059 -0.957 18081 6710 1 11 . 1 1 32 32 THR CA C 32 61.678 61.678 61.812 -0.134 18081 6711 1 11 . 1 1 32 32 THR CB C 32 68.775 68.775 69.997 -1.222 18081 6712 1 11 . 1 1 32 32 THR H H 32 8.266 8.266 8.349 -0.083 18081 6713 1 11 . 1 1 33 33 GLY N N 33 111.761 111.761 110.909 0.852 18081 6714 1 11 . 1 1 33 33 GLY C C 33 170.586 170.586 173.174 -2.588 18081 6715 1 11 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.185 1.897 18081 6716 1 11 . 1 1 33 33 GLY H H 33 7.997 7.997 7.522 0.475 18081 6717 1 11 . 1 1 34 34 PRO C C 34 176.674 176.674 176.134 0.540 18081 6718 1 11 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.208 0.673 18081 6719 1 11 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.095 -0.734 18081 6720 1 11 . 1 1 35 35 ASN N N 35 117.681 117.681 113.519 4.162 18081 6721 1 11 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.521 0.333 18081 6722 1 11 . 1 1 35 35 ASN C C 35 173.262 173.262 172.702 0.560 18081 6723 1 11 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.410 -1.288 18081 6724 1 11 . 1 1 35 35 ASN CB C 35 39.756 39.756 38.089 1.667 18081 6725 1 11 . 1 1 35 35 ASN H H 35 8.649 8.649 8.074 0.575 18081 6726 1 11 . 1 1 36 36 GLN N N 36 119.276 119.276 118.272 1.004 18081 6727 1 11 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.008 0.559 18081 6728 1 11 . 1 1 36 36 GLN C C 36 173.292 173.292 174.561 -1.269 18081 6729 1 11 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.723 -0.120 18081 6730 1 11 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.881 2.993 18081 6731 1 11 . 1 1 36 36 GLN H H 36 6.953 6.953 7.166 -0.213 18081 6732 1 11 . 1 1 37 37 TYR N N 37 125.339 125.339 124.818 0.521 18081 6733 1 11 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.951 0.113 18081 6734 1 11 . 1 1 37 37 TYR C C 37 174.321 174.321 176.107 -1.786 18081 6735 1 11 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.476 -0.004 18081 6736 1 11 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.912 0.784 18081 6737 1 11 . 1 1 37 37 TYR H H 37 8.898 8.898 8.924 -0.026 18081 6738 1 11 . 1 1 38 38 THR N N 38 121.935 121.935 121.474 0.461 18081 6739 1 11 . 1 1 38 38 THR HA H 38 5.098 5.098 4.485 0.613 18081 6740 1 11 . 1 1 38 38 THR C C 38 172.253 172.253 173.683 -1.430 18081 6741 1 11 . 1 1 38 38 THR CA C 38 61.589 61.589 62.403 -0.814 18081 6742 1 11 . 1 1 38 38 THR CB C 38 69.764 69.764 68.685 1.079 18081 6743 1 11 . 1 1 38 38 THR H H 38 9.592 9.592 9.032 0.560 18081 6744 1 11 . 1 1 39 39 VAL N N 39 126.189 126.189 127.188 -0.999 18081 6745 1 11 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.116 0.985 18081 6746 1 11 . 1 1 39 39 VAL C C 39 174.612 174.612 174.458 0.154 18081 6747 1 11 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.663 -2.032 18081 6748 1 11 . 1 1 39 39 VAL CB C 39 34.071 34.071 33.014 1.057 18081 6749 1 11 . 1 1 39 39 VAL H H 39 8.710 8.710 7.707 1.003 18081 6750 1 11 . 1 1 40 40 TYR N N 40 130.243 130.243 124.530 5.713 18081 6751 1 11 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.905 -0.264 18081 6752 1 11 . 1 1 40 40 TYR C C 40 174.840 174.840 175.648 -0.808 18081 6753 1 11 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.995 1.657 18081 6754 1 11 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.160 -2.320 18081 6755 1 11 . 1 1 40 40 TYR H H 40 9.139 9.139 8.409 0.730 18081 6756 1 11 . 1 1 41 41 VAL N N 41 124.415 124.415 119.486 4.929 18081 6757 1 11 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.782 0.558 18081 6758 1 11 . 1 1 41 41 VAL C C 41 175.680 175.680 174.422 1.258 18081 6759 1 11 . 1 1 41 41 VAL CA C 41 60.254 60.254 60.796 -0.542 18081 6760 1 11 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.684 0.178 18081 6761 1 11 . 1 1 41 41 VAL H H 41 8.686 8.686 9.184 -0.498 18081 6762 1 11 . 1 1 42 42 LEU N N 42 129.148 129.148 127.921 1.227 18081 6763 1 11 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.089 0.057 18081 6764 1 11 . 1 1 42 42 LEU C C 42 175.161 175.161 175.135 0.026 18081 6765 1 11 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.428 -1.649 18081 6766 1 11 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.356 -0.717 18081 6767 1 11 . 1 1 42 42 LEU H H 42 9.694 9.694 8.488 1.206 18081 6768 1 11 . 1 1 43 43 ALA N N 43 130.434 130.434 127.217 3.217 18081 6769 1 11 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.426 0.296 18081 6770 1 11 . 1 1 43 43 ALA C C 43 173.292 173.292 174.602 -1.310 18081 6771 1 11 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.869 -1.715 18081 6772 1 11 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.871 -0.741 18081 6773 1 11 . 1 1 43 43 ALA H H 43 8.679 8.679 8.206 0.473 18081 6774 1 11 . 1 1 44 44 PHE N N 44 118.472 118.472 118.318 0.154 18081 6775 1 11 . 1 1 44 44 PHE HA H 44 5.209 5.209 5.005 0.204 18081 6776 1 11 . 1 1 44 44 PHE C C 44 172.698 172.698 174.764 -2.066 18081 6777 1 11 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.844 -1.719 18081 6778 1 11 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.394 1.279 18081 6779 1 11 . 1 1 44 44 PHE H H 44 7.756 7.756 7.396 0.360 18081 6780 1 11 . 1 1 45 45 ALA N N 45 122.901 122.901 122.663 0.238 18081 6781 1 11 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.384 -0.971 18081 6782 1 11 . 1 1 45 45 ALA C C 45 177.267 177.267 176.968 0.299 18081 6783 1 11 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.518 -6.235 18081 6784 1 11 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.824 -3.044 18081 6785 1 11 . 1 1 45 45 ALA H H 45 9.739 9.739 8.770 0.969 18081 6786 1 11 . 1 1 46 46 PHE N N 46 128.515 128.515 121.348 7.167 18081 6787 1 11 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.640 0.580 18081 6788 1 11 . 1 1 46 46 PHE C C 46 173.387 173.387 175.074 -1.687 18081 6789 1 11 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.579 3.452 18081 6790 1 11 . 1 1 46 46 PHE CB C 46 40.399 40.399 37.869 2.530 18081 6791 1 11 . 1 1 46 46 PHE H H 46 7.994 7.994 8.473 -0.479 18081 6792 1 11 . 1 1 47 47 GLY N N 47 113.741 113.741 112.601 1.140 18081 6793 1 11 . 1 1 47 47 GLY C C 47 167.774 167.774 172.878 -5.104 18081 6794 1 11 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.873 0.361 18081 6795 1 11 . 1 1 47 47 GLY H H 47 7.796 7.796 7.771 0.025 18081 6796 1 11 . 1 1 48 48 TYR N N 48 119.637 119.637 118.135 1.502 18081 6797 1 11 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.965 0.373 18081 6798 1 11 . 1 1 48 48 TYR C C 48 175.042 175.042 174.037 1.005 18081 6799 1 11 . 1 1 48 48 TYR CA C 48 56.294 56.294 56.411 -0.117 18081 6800 1 11 . 1 1 48 48 TYR CB C 48 41.962 41.962 39.943 2.019 18081 6801 1 11 . 1 1 48 48 TYR H H 48 8.370 8.370 8.429 -0.059 18081 6802 1 11 . 1 1 49 49 GLN N N 49 121.776 121.776 122.798 -1.022 18081 6803 1 11 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.661 0.156 18081 6804 1 11 . 1 1 49 49 GLN CA C 49 52.334 52.334 52.940 -0.606 18081 6805 1 11 . 1 1 49 49 GLN CB C 49 33.874 33.874 30.063 3.811 18081 6806 1 11 . 1 1 49 49 GLN H H 49 9.163 9.163 8.358 0.805 18081 6807 1 11 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.622 0.120 18081 6808 1 11 . 1 1 50 50 PRO C C 50 174.271 174.271 176.034 -1.763 18081 6809 1 11 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.826 -0.036 18081 6810 1 11 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.358 2.307 18081 6811 1 11 . 1 1 51 51 ASN N N 51 113.755 113.755 115.833 -2.078 18081 6812 1 11 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.010 0.070 18081 6813 1 11 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.425 -0.426 18081 6814 1 11 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.260 2.436 18081 6815 1 11 . 1 1 51 51 ASN H H 51 8.229 8.229 8.463 -0.234 18081 6816 1 11 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.467 0.804 18081 6817 1 11 . 1 1 52 52 PRO C C 52 176.525 176.525 175.234 1.291 18081 6818 1 11 . 1 1 52 52 PRO CA C 52 63.591 63.591 63.032 0.559 18081 6819 1 11 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.398 4.509 18081 6820 1 11 . 1 1 53 53 ILE N N 53 120.452 120.452 124.097 -3.645 18081 6821 1 11 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.273 -0.207 18081 6822 1 11 . 1 1 53 53 ILE C C 53 174.236 174.236 174.577 -0.341 18081 6823 1 11 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.684 0.816 18081 6824 1 11 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.633 -0.729 18081 6825 1 11 . 1 1 53 53 ILE H H 53 8.321 8.321 8.190 0.131 18081 6826 1 11 . 1 1 54 54 GLU N N 54 129.279 129.279 128.344 0.935 18081 6827 1 11 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.570 0.897 18081 6828 1 11 . 1 1 54 54 GLU C C 54 175.598 175.598 174.792 0.806 18081 6829 1 11 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.908 0.096 18081 6830 1 11 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.850 -1.943 18081 6831 1 11 . 1 1 54 54 GLU H H 54 8.458 8.458 8.470 -0.012 18081 6832 1 11 . 1 1 55 55 VAL N N 55 115.767 115.767 124.721 -8.954 18081 6833 1 11 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.566 0.090 18081 6834 1 11 . 1 1 55 55 VAL C C 55 172.453 172.453 173.244 -0.791 18081 6835 1 11 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.017 -1.278 18081 6836 1 11 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.572 -0.600 18081 6837 1 11 . 1 1 55 55 VAL H H 55 8.492 8.492 8.340 0.152 18081 6838 1 11 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.702 -0.035 18081 6839 1 11 . 1 1 56 56 PRO C C 56 177.445 177.445 176.855 0.590 18081 6840 1 11 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.358 -0.680 18081 6841 1 11 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.603 0.392 18081 6842 1 11 . 1 1 57 57 GLN N N 57 122.020 122.020 124.796 -2.776 18081 6843 1 11 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.145 -0.255 18081 6844 1 11 . 1 1 57 57 GLN C C 57 176.735 176.735 176.903 -0.168 18081 6845 1 11 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.469 0.403 18081 6846 1 11 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.754 -0.912 18081 6847 1 11 . 1 1 57 57 GLN H H 57 8.466 8.466 8.032 0.434 18081 6848 1 11 . 1 1 58 58 GLY N N 58 112.805 112.805 108.969 3.836 18081 6849 1 11 . 1 1 58 58 GLY C C 58 172.686 172.686 173.313 -0.627 18081 6850 1 11 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.345 1.027 18081 6851 1 11 . 1 1 58 58 GLY H H 58 8.713 8.713 8.615 0.098 18081 6852 1 11 . 1 1 59 59 ALA N N 59 122.839 122.839 123.332 -0.493 18081 6853 1 11 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.596 -0.045 18081 6854 1 11 . 1 1 59 59 ALA C C 59 176.659 176.659 175.551 1.108 18081 6855 1 11 . 1 1 59 59 ALA CA C 59 50.732 50.732 51.032 -0.300 18081 6856 1 11 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.724 -1.000 18081 6857 1 11 . 1 1 59 59 ALA H H 59 6.982 6.982 7.285 -0.303 18081 6858 1 11 . 1 1 60 60 GLU N N 60 123.390 123.390 120.614 2.776 18081 6859 1 11 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.398 -0.091 18081 6860 1 11 . 1 1 60 60 GLU C C 60 173.876 173.876 175.990 -2.114 18081 6861 1 11 . 1 1 60 60 GLU CA C 60 56.828 56.828 57.211 -0.383 18081 6862 1 11 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.399 -0.085 18081 6863 1 11 . 1 1 60 60 GLU H H 60 8.260 8.260 8.196 0.064 18081 6864 1 11 . 1 1 61 61 ILE N N 61 130.883 130.883 123.700 7.183 18081 6865 1 11 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.728 0.094 18081 6866 1 11 . 1 1 61 61 ILE C C 61 175.267 175.267 175.228 0.039 18081 6867 1 11 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.367 -0.944 18081 6868 1 11 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.377 -3.625 18081 6869 1 11 . 1 1 61 61 ILE H H 61 9.103 9.103 8.186 0.917 18081 6870 1 11 . 1 1 62 62 VAL N N 62 127.879 127.879 127.934 -0.055 18081 6871 1 11 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.818 -0.470 18081 6872 1 11 . 1 1 62 62 VAL C C 62 175.598 175.598 175.717 -0.119 18081 6873 1 11 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.162 -0.419 18081 6874 1 11 . 1 1 62 62 VAL CB C 62 31.204 31.204 32.089 -0.885 18081 6875 1 11 . 1 1 62 62 VAL H H 62 8.992 8.992 8.693 0.299 18081 6876 1 11 . 1 1 63 63 PHE N N 63 125.354 125.354 129.286 -3.932 18081 6877 1 11 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.476 0.517 18081 6878 1 11 . 1 1 63 63 PHE C C 63 175.507 175.507 175.199 0.308 18081 6879 1 11 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.554 -1.748 18081 6880 1 11 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.892 -0.284 18081 6881 1 11 . 1 1 63 63 PHE H H 63 9.521 9.521 8.722 0.799 18081 6882 1 11 . 1 1 64 64 LYS N N 64 123.471 123.471 123.158 0.313 18081 6883 1 11 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.394 -0.301 18081 6884 1 11 . 1 1 64 64 LYS C C 64 175.877 175.877 175.685 0.192 18081 6885 1 11 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.379 -0.998 18081 6886 1 11 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.229 -1.160 18081 6887 1 11 . 1 1 64 64 LYS H H 64 8.977 8.977 8.362 0.615 18081 6888 1 11 . 1 1 65 65 ILE N N 65 125.792 125.792 126.591 -0.799 18081 6889 1 11 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.144 0.659 18081 6890 1 11 . 1 1 65 65 ILE C C 65 175.724 175.724 175.079 0.645 18081 6891 1 11 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.353 -0.589 18081 6892 1 11 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.332 1.056 18081 6893 1 11 . 1 1 65 65 ILE H H 65 9.390 9.390 8.246 1.144 18081 6894 1 11 . 1 1 66 66 THR N N 66 119.455 119.455 120.536 -1.081 18081 6895 1 11 . 1 1 66 66 THR HA H 66 4.583 4.583 4.404 0.179 18081 6896 1 11 . 1 1 66 66 THR C C 66 170.978 170.978 172.257 -1.279 18081 6897 1 11 . 1 1 66 66 THR CA C 66 61.233 61.233 61.040 0.193 18081 6898 1 11 . 1 1 66 66 THR CB C 66 70.456 70.456 69.593 0.863 18081 6899 1 11 . 1 1 66 66 THR H H 66 8.176 8.176 7.934 0.242 18081 6900 1 11 . 1 1 67 67 SER N N 67 115.523 115.523 121.129 -5.606 18081 6901 1 11 . 1 1 67 67 SER HA H 67 6.316 6.316 5.112 1.204 18081 6902 1 11 . 1 1 67 67 SER C C 67 174.516 174.516 172.859 1.657 18081 6903 1 11 . 1 1 67 67 SER CA C 67 51.222 51.222 55.790 -4.568 18081 6904 1 11 . 1 1 67 67 SER CB C 67 66.501 66.501 65.492 1.009 18081 6905 1 11 . 1 1 67 67 SER H H 67 7.190 7.190 8.603 -1.413 18081 6906 1 11 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.310 0.518 18081 6907 1 11 . 1 1 68 68 PRO C C 68 174.360 174.360 175.693 -1.333 18081 6908 1 11 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.843 -2.275 18081 6909 1 11 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.989 0.499 18081 6910 1 11 . 1 1 69 69 ASP N N 69 120.505 120.505 117.904 2.601 18081 6911 1 11 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.855 -0.107 18081 6912 1 11 . 1 1 69 69 ASP C C 69 173.775 173.775 174.191 -0.416 18081 6913 1 11 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.184 1.265 18081 6914 1 11 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.822 1.159 18081 6915 1 11 . 1 1 69 69 ASP H H 69 8.594 8.594 8.491 0.103 18081 6916 1 11 . 1 1 70 70 VAL N N 70 120.074 120.074 116.180 3.894 18081 6917 1 11 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.352 0.222 18081 6918 1 11 . 1 1 70 70 VAL C C 70 174.866 174.866 174.476 0.390 18081 6919 1 11 . 1 1 70 70 VAL CA C 70 59.231 59.231 59.825 -0.594 18081 6920 1 11 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.661 0.399 18081 6921 1 11 . 1 1 70 70 VAL H H 70 10.855 10.855 7.705 3.150 18081 6922 1 11 . 1 1 71 71 ILE N N 71 121.272 121.272 122.184 -0.912 18081 6923 1 11 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.017 0.421 18081 6924 1 11 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.987 1.447 18081 6925 1 11 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.484 1.037 18081 6926 1 11 . 1 1 71 71 ILE H H 71 7.670 7.670 8.179 -0.509 18081 6927 1 11 . 1 1 73 73 GLY C C 73 172.580 172.580 172.718 -0.138 18081 6928 1 11 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.466 -0.052 18081 6929 1 11 . 1 1 74 74 PHE N N 74 123.714 123.714 116.906 6.808 18081 6930 1 11 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.084 -0.799 18081 6931 1 11 . 1 1 74 74 PHE C C 74 171.502 171.502 174.427 -2.925 18081 6932 1 11 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.461 3.236 18081 6933 1 11 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.427 -0.632 18081 6934 1 11 . 1 1 74 74 PHE H H 74 8.712 8.712 7.319 1.393 18081 6935 1 11 . 1 1 75 75 HIS N N 75 124.835 124.835 118.581 6.254 18081 6936 1 11 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.773 0.685 18081 6937 1 11 . 1 1 75 75 HIS C C 75 172.817 172.817 174.708 -1.891 18081 6938 1 11 . 1 1 75 75 HIS CA C 75 52.423 52.423 53.855 -1.432 18081 6939 1 11 . 1 1 75 75 HIS CB C 75 29.523 29.523 28.692 0.831 18081 6940 1 11 . 1 1 75 75 HIS H H 75 7.786 7.786 8.555 -0.769 18081 6941 1 11 . 1 1 76 76 VAL N N 76 124.569 124.569 125.599 -1.030 18081 6942 1 11 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.603 0.690 18081 6943 1 11 . 1 1 76 76 VAL C C 76 175.843 175.843 175.849 -0.006 18081 6944 1 11 . 1 1 76 76 VAL CA C 76 60.699 60.699 62.141 -1.442 18081 6945 1 11 . 1 1 76 76 VAL CB C 76 30.368 30.368 31.777 -1.409 18081 6946 1 11 . 1 1 76 76 VAL H H 76 6.558 6.558 7.933 -1.375 18081 6947 1 11 . 1 1 77 77 GLU N N 77 132.091 132.091 128.114 3.977 18081 6948 1 11 . 1 1 77 77 GLU HA H 77 3.889 3.889 3.998 -0.109 18081 6949 1 11 . 1 1 77 77 GLU C C 77 176.941 176.941 177.948 -1.007 18081 6950 1 11 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.324 1.373 18081 6951 1 11 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.942 0.273 18081 6952 1 11 . 1 1 77 77 GLU H H 77 8.977 8.977 8.179 0.798 18081 6953 1 11 . 1 1 78 78 GLY N N 78 111.143 111.143 106.841 4.302 18081 6954 1 11 . 1 1 78 78 GLY C C 78 174.152 174.152 174.179 -0.027 18081 6955 1 11 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.514 -0.254 18081 6956 1 11 . 1 1 78 78 GLY H H 78 8.052 8.052 8.852 -0.800 18081 6957 1 11 . 1 1 79 79 THR N N 79 109.705 109.705 116.420 -6.715 18081 6958 1 11 . 1 1 79 79 THR HA H 79 4.949 4.949 4.537 0.412 18081 6959 1 11 . 1 1 79 79 THR C C 79 173.397 173.397 173.540 -0.143 18081 6960 1 11 . 1 1 79 79 THR CA C 79 60.076 60.076 60.686 -0.610 18081 6961 1 11 . 1 1 79 79 THR CB C 79 72.829 72.829 70.881 1.948 18081 6962 1 11 . 1 1 79 79 THR H H 79 7.810 7.810 7.598 0.212 18081 6963 1 11 . 1 1 80 80 ASN N N 80 116.427 116.427 120.270 -3.843 18081 6964 1 11 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.727 0.193 18081 6965 1 11 . 1 1 80 80 ASN C C 80 175.665 175.665 174.397 1.268 18081 6966 1 11 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.835 -0.812 18081 6967 1 11 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.572 -0.039 18081 6968 1 11 . 1 1 80 80 ASN H H 80 7.856 7.856 8.698 -0.842 18081 6969 1 11 . 1 1 81 81 ILE N N 81 121.552 121.552 122.056 -0.504 18081 6970 1 11 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.069 -0.272 18081 6971 1 11 . 1 1 81 81 ILE C C 81 176.564 176.564 174.906 1.658 18081 6972 1 11 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.479 1.044 18081 6973 1 11 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.442 -0.341 18081 6974 1 11 . 1 1 81 81 ILE H H 81 8.493 8.493 7.443 1.050 18081 6975 1 11 . 1 1 82 82 ASN N N 82 131.507 131.507 128.746 2.761 18081 6976 1 11 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.870 0.281 18081 6977 1 11 . 1 1 82 82 ASN C C 82 173.025 173.025 174.169 -1.144 18081 6978 1 11 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.623 2.644 18081 6979 1 11 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.109 0.697 18081 6980 1 11 . 1 1 82 82 ASN H H 82 8.911 8.911 8.406 0.505 18081 6981 1 11 . 1 1 83 83 VAL N N 83 120.866 120.866 118.834 2.032 18081 6982 1 11 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.426 0.239 18081 6983 1 11 . 1 1 83 83 VAL C C 83 173.954 173.954 174.714 -0.760 18081 6984 1 11 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.243 -1.123 18081 6985 1 11 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.101 2.552 18081 6986 1 11 . 1 1 83 83 VAL H H 83 8.356 8.356 8.245 0.111 18081 6987 1 11 . 1 1 84 84 GLU N N 84 125.997 125.997 125.339 0.658 18081 6988 1 11 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.650 -0.063 18081 6989 1 11 . 1 1 84 84 GLU C C 84 174.600 174.600 174.203 0.397 18081 6990 1 11 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.816 0.211 18081 6991 1 11 . 1 1 84 84 GLU CB C 84 30.809 30.809 30.900 -0.091 18081 6992 1 11 . 1 1 84 84 GLU H H 84 8.534 8.534 8.415 0.119 18081 6993 1 11 . 1 1 85 85 VAL N N 85 125.888 125.888 122.606 3.282 18081 6994 1 11 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.225 -0.176 18081 6995 1 11 . 1 1 85 85 VAL C C 85 173.256 173.256 174.925 -1.669 18081 6996 1 11 . 1 1 85 85 VAL CA C 85 61.517 61.517 61.101 0.416 18081 6997 1 11 . 1 1 85 85 VAL CB C 85 32.786 32.786 35.004 -2.218 18081 6998 1 11 . 1 1 85 85 VAL H H 85 8.782 8.782 8.033 0.749 18081 6999 1 11 . 1 1 86 86 LEU N N 86 128.745 128.745 124.941 3.804 18081 7000 1 11 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.347 0.454 18081 7001 1 11 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.692 -1.758 18081 7002 1 11 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.566 0.844 18081 7003 1 11 . 1 1 86 86 LEU H H 86 9.131 9.131 8.414 0.717 18081 7004 1 11 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.413 0.251 18081 7005 1 11 . 1 1 87 87 PRO C C 87 178.454 178.454 177.644 0.810 18081 7006 1 11 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.012 -0.400 18081 7007 1 11 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.382 -1.177 18081 7008 1 11 . 1 1 88 88 GLY N N 88 112.804 112.804 108.315 4.489 18081 7009 1 11 . 1 1 88 88 GLY C C 88 173.451 173.451 173.356 0.095 18081 7010 1 11 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.161 -0.079 18081 7011 1 11 . 1 1 88 88 GLY H H 88 9.103 9.103 8.648 0.455 18081 7012 1 11 . 1 1 89 89 GLU N N 89 118.355 118.355 118.343 0.012 18081 7013 1 11 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.556 0.544 18081 7014 1 11 . 1 1 89 89 GLU C C 89 176.719 176.719 174.484 2.235 18081 7015 1 11 . 1 1 89 89 GLU CA C 89 54.247 54.247 55.058 -0.811 18081 7016 1 11 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.758 0.105 18081 7017 1 11 . 1 1 89 89 GLU H H 89 7.764 7.764 7.581 0.183 18081 7018 1 11 . 1 1 90 90 VAL N N 90 127.142 127.142 125.858 1.284 18081 7019 1 11 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.642 -0.142 18081 7020 1 11 . 1 1 90 90 VAL C C 90 176.838 176.838 175.251 1.587 18081 7021 1 11 . 1 1 90 90 VAL CA C 90 61.856 61.856 60.993 0.863 18081 7022 1 11 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.394 0.744 18081 7023 1 11 . 1 1 90 90 VAL H H 90 8.830 8.830 8.019 0.811 18081 7024 1 11 . 1 1 91 91 SER N N 91 127.859 127.859 125.530 2.329 18081 7025 1 11 . 1 1 91 91 SER HA H 91 4.924 4.924 4.687 0.237 18081 7026 1 11 . 1 1 91 91 SER C C 91 173.015 173.015 173.942 -0.927 18081 7027 1 11 . 1 1 91 91 SER CA C 91 58.118 58.118 57.508 0.610 18081 7028 1 11 . 1 1 91 91 SER CB C 91 63.931 63.931 65.079 -1.148 18081 7029 1 11 . 1 1 91 91 SER H H 91 9.710 9.710 8.425 1.285 18081 7030 1 11 . 1 1 92 92 THR N N 92 122.627 122.627 123.710 -1.083 18081 7031 1 11 . 1 1 92 92 THR HA H 92 5.682 5.682 5.050 0.632 18081 7032 1 11 . 1 1 92 92 THR C C 92 174.480 174.480 174.171 0.309 18081 7033 1 11 . 1 1 92 92 THR CA C 92 61.856 61.856 62.365 -0.509 18081 7034 1 11 . 1 1 92 92 THR CB C 92 70.160 70.160 69.383 0.777 18081 7035 1 11 . 1 1 92 92 THR H H 92 8.864 8.864 8.586 0.278 18081 7036 1 11 . 1 1 93 93 VAL N N 93 126.698 126.698 127.188 -0.490 18081 7037 1 11 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.369 0.138 18081 7038 1 11 . 1 1 93 93 VAL C C 93 173.002 173.002 174.392 -1.390 18081 7039 1 11 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.713 -1.059 18081 7040 1 11 . 1 1 93 93 VAL CB C 93 35.653 35.653 34.613 1.040 18081 7041 1 11 . 1 1 93 93 VAL H H 93 8.806 8.806 8.838 -0.032 18081 7042 1 11 . 1 1 94 94 ARG N N 94 126.396 126.396 124.555 1.841 18081 7043 1 11 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.413 0.477 18081 7044 1 11 . 1 1 94 94 ARG C C 94 175.885 175.885 175.436 0.449 18081 7045 1 11 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.617 -0.236 18081 7046 1 11 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.875 1.713 18081 7047 1 11 . 1 1 94 94 ARG H H 94 8.630 8.630 8.677 -0.047 18081 7048 1 11 . 1 1 95 95 TYR N N 95 126.390 126.390 126.948 -0.558 18081 7049 1 11 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.692 -0.372 18081 7050 1 11 . 1 1 95 95 TYR C C 95 172.683 172.683 173.793 -1.110 18081 7051 1 11 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.923 1.663 18081 7052 1 11 . 1 1 95 95 TYR CB C 95 44.453 44.453 42.075 2.378 18081 7053 1 11 . 1 1 95 95 TYR H H 95 9.623 9.623 8.376 1.247 18081 7054 1 11 . 1 1 96 96 THR N N 96 121.396 121.396 121.725 -0.329 18081 7055 1 11 . 1 1 96 96 THR HA H 96 4.684 4.684 4.687 -0.003 18081 7056 1 11 . 1 1 96 96 THR C C 96 172.729 172.729 172.786 -0.057 18081 7057 1 11 . 1 1 96 96 THR CA C 96 61.322 61.322 61.007 0.315 18081 7058 1 11 . 1 1 96 96 THR CB C 96 70.160 70.160 70.768 -0.608 18081 7059 1 11 . 1 1 96 96 THR H H 96 6.742 6.742 7.892 -1.150 18081 7060 1 11 . 1 1 97 97 PHE N N 97 126.539 126.539 125.354 1.185 18081 7061 1 11 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.695 -0.242 18081 7062 1 11 . 1 1 97 97 PHE C C 97 176.075 176.075 176.007 0.068 18081 7063 1 11 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.472 0.735 18081 7064 1 11 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.377 -1.469 18081 7065 1 11 . 1 1 97 97 PHE H H 97 8.933 8.933 8.613 0.320 18081 7066 1 11 . 1 1 98 98 LYS N N 98 123.417 123.417 119.608 3.809 18081 7067 1 11 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.512 -0.119 18081 7068 1 11 . 1 1 98 98 LYS C C 98 175.939 175.939 176.235 -0.296 18081 7069 1 11 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.158 0.625 18081 7070 1 11 . 1 1 98 98 LYS CB C 98 32.984 32.984 34.066 -1.082 18081 7071 1 11 . 1 1 98 98 LYS H H 98 8.604 8.604 8.971 -0.367 18081 7072 1 11 . 1 1 99 99 ARG N N 99 118.424 118.424 119.550 -1.126 18081 7073 1 11 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.660 0.360 18081 7074 1 11 . 1 1 99 99 ARG C C 99 174.332 174.332 173.422 0.910 18081 7075 1 11 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.716 -1.115 18081 7076 1 11 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.613 -0.012 18081 7077 1 11 . 1 1 99 99 ARG H H 99 7.801 7.801 7.756 0.045 18081 7078 1 11 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.267 0.116 18081 7079 1 11 . 1 1 100 100 PRO C C 100 175.190 175.190 176.341 -1.151 18081 7080 1 11 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.555 0.013 18081 7081 1 11 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.093 0.495 18081 7082 1 11 . 1 1 101 101 GLY N N 101 108.626 108.626 108.685 -0.059 18081 7083 1 11 . 1 1 101 101 GLY C C 101 171.375 171.375 171.843 -0.468 18081 7084 1 11 . 1 1 101 101 GLY CA C 101 44.103 44.103 45.056 -0.953 18081 7085 1 11 . 1 1 101 101 GLY H H 101 8.685 8.685 7.651 1.034 18081 7086 1 11 . 1 1 102 102 GLU N N 102 119.327 119.327 122.829 -3.502 18081 7087 1 11 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.604 0.547 18081 7088 1 11 . 1 1 102 102 GLU C C 102 176.066 176.066 175.130 0.936 18081 7089 1 11 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.047 0.357 18081 7090 1 11 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.567 -0.363 18081 7091 1 11 . 1 1 102 102 GLU H H 102 8.144 8.144 8.354 -0.210 18081 7092 1 11 . 1 1 103 103 TYR N N 103 125.807 125.807 121.383 4.424 18081 7093 1 11 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.960 -0.314 18081 7094 1 11 . 1 1 103 103 TYR C C 103 174.711 174.711 173.661 1.050 18081 7095 1 11 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.708 -0.370 18081 7096 1 11 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.526 -0.337 18081 7097 1 11 . 1 1 103 103 TYR H H 103 9.687 9.687 8.762 0.925 18081 7098 1 11 . 1 1 104 104 ARG N N 104 124.463 124.463 121.745 2.718 18081 7099 1 11 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.075 -0.448 18081 7100 1 11 . 1 1 104 104 ARG C C 104 174.570 174.570 175.425 -0.855 18081 7101 1 11 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.858 1.907 18081 7102 1 11 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.784 -1.086 18081 7103 1 11 . 1 1 104 104 ARG H H 104 8.902 8.902 8.147 0.755 18081 7104 1 11 . 1 1 105 105 ILE N N 105 124.589 124.589 119.762 4.827 18081 7105 1 11 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.957 0.412 18081 7106 1 11 . 1 1 105 105 ILE C C 105 175.576 175.576 174.244 1.332 18081 7107 1 11 . 1 1 105 105 ILE CA C 105 59.935 59.935 62.228 -2.293 18081 7108 1 11 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.581 1.230 18081 7109 1 11 . 1 1 105 105 ILE H H 105 8.289 8.289 8.288 0.001 18081 7110 1 11 . 1 1 106 106 ILE N N 106 121.777 121.777 124.607 -2.830 18081 7111 1 11 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.876 0.162 18081 7112 1 11 . 1 1 106 106 ILE CA C 106 59.223 59.223 59.846 -0.623 18081 7113 1 11 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.699 2.776 18081 7114 1 11 . 1 1 106 106 ILE H H 106 8.765 8.765 8.677 0.088 18081 7115 1 11 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.412 -0.290 18081 7116 1 11 . 1 1 109 109 GLN C C 109 175.724 175.724 175.019 0.705 18081 7117 1 11 . 1 1 109 109 GLN CA C 109 56.472 56.472 55.821 0.651 18081 7118 1 11 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.415 -1.287 18081 7119 1 11 . 1 1 110 110 TYR N N 110 120.856 120.856 120.524 0.332 18081 7120 1 11 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.241 0.248 18081 7121 1 11 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.117 -1.132 18081 7122 1 11 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.115 -0.189 18081 7123 1 11 . 1 1 110 110 TYR H H 110 8.191 8.191 8.656 -0.465 18081 7124 1 11 . 1 1 111 111 CYS N N 111 120.561 120.561 122.612 -2.051 18081 7125 1 11 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.434 -0.051 18081 7126 1 11 . 1 1 111 111 CYS C C 111 174.692 174.692 175.490 -0.798 18081 7127 1 11 . 1 1 111 111 CYS CA C 111 58.617 58.617 60.438 -1.821 18081 7128 1 11 . 1 1 111 111 CYS CB C 111 27.976 27.976 27.921 0.055 18081 7129 1 11 . 1 1 111 111 CYS H H 111 8.166 8.166 8.734 -0.568 18081 7130 1 11 . 1 1 112 112 GLY N N 112 111.467 111.467 109.425 2.042 18081 7131 1 11 . 1 1 112 112 GLY C C 112 173.900 173.900 173.735 0.165 18081 7132 1 11 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.983 0.162 18081 7133 1 11 . 1 1 112 112 GLY H H 112 8.239 8.239 7.958 0.281 18081 7134 1 11 . 1 1 113 113 LEU N N 113 122.150 122.150 118.244 3.906 18081 7135 1 11 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.274 0.050 18081 7136 1 11 . 1 1 113 113 LEU C C 113 178.068 178.068 178.219 -0.151 18081 7137 1 11 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.109 -0.391 18081 7138 1 11 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.104 -0.025 18081 7139 1 11 . 1 1 113 113 LEU H H 113 8.179 8.179 7.494 0.685 18081 7140 1 11 . 1 1 114 114 GLY N N 114 109.278 109.278 107.887 1.391 18081 7141 1 11 . 1 1 114 114 GLY C C 114 174.142 174.142 174.820 -0.678 18081 7142 1 11 . 1 1 114 114 GLY CA C 114 45.349 45.349 46.111 -0.762 18081 7143 1 11 . 1 1 114 114 GLY H H 114 8.393 8.393 8.537 -0.144 18081 7144 1 11 . 1 1 117 117 ASN N N 117 120.387 120.387 117.490 2.897 18081 7145 1 11 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.317 0.361 18081 7146 1 11 . 1 1 117 117 ASN C C 117 174.422 174.422 174.934 -0.512 18081 7147 1 11 . 1 1 117 117 ASN CA C 117 53.179 53.179 54.045 -0.867 18081 7148 1 11 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.451 0.564 18081 7149 1 11 . 1 1 117 117 ASN H H 117 8.522 8.522 8.450 0.072 18081 7150 1 11 . 1 1 118 118 MET N N 118 120.526 120.526 119.120 1.406 18081 7151 1 11 . 1 1 118 118 MET C C 118 173.321 173.321 175.240 -1.919 18081 7152 1 11 . 1 1 118 118 MET CA C 118 55.360 55.360 55.384 -0.024 18081 7153 1 11 . 1 1 118 118 MET CB C 118 34.467 34.467 32.931 1.536 18081 7154 1 11 . 1 1 118 118 MET H H 118 7.981 7.981 8.291 -0.310 18081 7155 1 11 . 1 1 119 119 PHE N N 119 119.704 119.704 119.264 0.440 18081 7156 1 11 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.685 1.137 18081 7157 1 11 . 1 1 119 119 PHE C C 119 174.894 174.894 176.375 -1.481 18081 7158 1 11 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.221 -1.105 18081 7159 1 11 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.401 2.976 18081 7160 1 11 . 1 1 119 119 PHE H H 119 8.068 8.068 8.027 0.041 18081 7161 1 11 . 1 1 120 120 GLY N N 120 109.869 109.869 111.564 -1.695 18081 7162 1 11 . 1 1 120 120 GLY C C 120 172.817 172.817 173.163 -0.346 18081 7163 1 11 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.619 -0.338 18081 7164 1 11 . 1 1 120 120 GLY H H 120 8.984 8.984 8.686 0.298 18081 7165 1 11 . 1 1 121 121 THR N N 121 115.820 115.820 115.062 0.758 18081 7166 1 11 . 1 1 121 121 THR HA H 121 5.068 5.068 4.452 0.616 18081 7167 1 11 . 1 1 121 121 THR C C 121 173.062 173.062 173.005 0.057 18081 7168 1 11 . 1 1 121 121 THR CA C 121 62.745 62.745 62.286 0.459 18081 7169 1 11 . 1 1 121 121 THR CB C 121 72.533 72.533 70.687 1.846 18081 7170 1 11 . 1 1 121 121 THR H H 121 8.123 8.123 8.200 -0.077 18081 7171 1 11 . 1 1 122 122 ILE N N 122 127.420 127.420 127.348 0.072 18081 7172 1 11 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.245 0.590 18081 7173 1 11 . 1 1 122 122 ILE C C 122 174.260 174.260 172.628 1.632 18081 7174 1 11 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.627 -0.550 18081 7175 1 11 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.246 -1.847 18081 7176 1 11 . 1 1 122 122 ILE H H 122 9.152 9.152 8.780 0.372 18081 7177 1 11 . 1 1 123 123 VAL N N 123 130.032 130.032 126.053 3.979 18081 7178 1 11 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.236 0.143 18081 7179 1 11 . 1 1 123 123 VAL C C 123 174.012 174.012 173.382 0.630 18081 7180 1 11 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.209 2.602 18081 7181 1 11 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.511 -2.231 18081 7182 1 11 . 1 1 123 123 VAL H H 123 9.601 9.601 8.259 1.342 18081 7183 1 11 . 1 1 124 124 VAL N N 124 128.765 128.765 128.470 0.295 18081 7184 1 11 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.553 0.146 18081 7185 1 11 . 1 1 124 124 VAL C C 124 177.239 177.239 175.376 1.863 18081 7186 1 11 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.135 -0.570 18081 7187 1 11 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.651 -1.348 18081 7188 1 11 . 1 1 124 124 VAL H H 124 9.056 9.056 8.205 0.851 18081 7189 1 11 . 1 1 125 125 LYS N N 125 129.953 129.953 128.109 1.844 18081 7190 1 11 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.585 -0.244 18081 7191 1 11 . 1 1 125 125 LYS C C 125 175.317 175.317 175.906 -0.589 18081 7192 1 11 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.962 1.487 18081 7193 1 11 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.621 0.956 18081 7194 1 11 . 1 1 125 125 LYS H H 125 8.854 8.854 8.675 0.179 18081 7195 1 12 . 1 1 2 2 VAL N N 2 126.137 126.137 121.265 4.872 18081 7196 1 12 . 1 1 2 2 VAL HA H 2 4.026 4.026 3.896 0.130 18081 7197 1 12 . 1 1 2 2 VAL C C 2 176.484 176.484 174.125 2.359 18081 7198 1 12 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.605 -0.037 18081 7199 1 12 . 1 1 2 2 VAL CB C 2 32.391 32.391 30.942 1.448 18081 7200 1 12 . 1 1 2 2 VAL H H 2 8.035 8.035 7.901 0.134 18081 7201 1 12 . 1 1 3 3 ILE N N 3 124.059 124.059 120.901 3.158 18081 7202 1 12 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.731 -0.236 18081 7203 1 12 . 1 1 3 3 ILE C C 3 174.606 174.606 174.518 0.088 18081 7204 1 12 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.364 0.021 18081 7205 1 12 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.737 -0.216 18081 7206 1 12 . 1 1 3 3 ILE H H 3 7.856 7.856 7.737 0.119 18081 7207 1 12 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.456 -0.083 18081 7208 1 12 . 1 1 4 4 PRO C C 4 176.585 176.585 175.737 0.848 18081 7209 1 12 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.751 0.439 18081 7210 1 12 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.223 -0.259 18081 7211 1 12 . 1 1 5 5 ALA N N 5 125.371 125.371 122.842 2.529 18081 7212 1 12 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.324 -0.037 18081 7213 1 12 . 1 1 5 5 ALA C C 5 178.454 178.454 178.536 -0.082 18081 7214 1 12 . 1 1 5 5 ALA CA C 5 52.735 52.735 53.194 -0.459 18081 7215 1 12 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.238 -0.195 18081 7216 1 12 . 1 1 5 5 ALA H H 5 8.458 8.458 8.534 -0.076 18081 7217 1 12 . 1 1 6 6 GLY N N 6 108.626 108.626 105.210 3.416 18081 7218 1 12 . 1 1 6 6 GLY C C 6 173.996 173.996 173.995 0.001 18081 7219 1 12 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.276 -0.105 18081 7220 1 12 . 1 1 6 6 GLY H H 6 8.378 8.378 8.207 0.171 18081 7221 1 12 . 1 1 7 7 LYS N N 7 121.320 121.320 119.887 1.433 18081 7222 1 12 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.456 -0.127 18081 7223 1 12 . 1 1 7 7 LYS C C 7 176.362 176.362 175.378 0.984 18081 7224 1 12 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.031 0.085 18081 7225 1 12 . 1 1 7 7 LYS CB C 7 32.984 32.984 35.110 -2.126 18081 7226 1 12 . 1 1 7 7 LYS H H 7 7.976 7.976 7.791 0.185 18081 7227 1 12 . 1 1 8 8 LEU N N 8 124.548 124.548 118.613 5.935 18081 7228 1 12 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.139 0.252 18081 7229 1 12 . 1 1 8 8 LEU C C 8 176.772 176.772 174.824 1.948 18081 7230 1 12 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.563 -0.382 18081 7231 1 12 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.132 0.343 18081 7232 1 12 . 1 1 8 8 LEU H H 8 8.283 8.283 8.608 -0.325 18081 7233 1 12 . 1 1 9 9 GLU N N 9 124.888 124.888 120.322 4.566 18081 7234 1 12 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.666 -0.276 18081 7235 1 12 . 1 1 9 9 GLU C C 9 174.919 174.919 175.304 -0.385 18081 7236 1 12 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.128 1.344 18081 7237 1 12 . 1 1 9 9 GLU CB C 9 30.611 30.611 33.254 -2.643 18081 7238 1 12 . 1 1 9 9 GLU H H 9 8.679 8.679 8.681 -0.002 18081 7239 1 12 . 1 1 10 10 ARG N N 10 123.557 123.557 122.039 1.518 18081 7240 1 12 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.479 0.493 18081 7241 1 12 . 1 1 10 10 ARG C C 10 175.727 175.727 175.757 -0.030 18081 7242 1 12 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.993 -0.908 18081 7243 1 12 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.082 1.463 18081 7244 1 12 . 1 1 10 10 ARG H H 10 8.248 8.248 8.620 -0.372 18081 7245 1 12 . 1 1 11 11 VAL N N 11 118.077 118.077 119.468 -1.391 18081 7246 1 12 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.425 -0.045 18081 7247 1 12 . 1 1 11 11 VAL C C 11 173.297 173.297 174.400 -1.103 18081 7248 1 12 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.904 -0.318 18081 7249 1 12 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.822 -0.059 18081 7250 1 12 . 1 1 11 11 VAL H H 11 8.039 8.039 7.889 0.150 18081 7251 1 12 . 1 1 12 12 ASP N N 12 123.786 123.786 116.960 6.826 18081 7252 1 12 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.018 -0.067 18081 7253 1 12 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.903 -1.304 18081 7254 1 12 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.798 -2.410 18081 7255 1 12 . 1 1 12 12 ASP H H 12 8.313 8.313 8.191 0.122 18081 7256 1 12 . 1 1 13 13 PRO C C 13 177.705 177.705 177.486 0.219 18081 7257 1 12 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.098 0.641 18081 7258 1 12 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.982 -0.360 18081 7259 1 12 . 1 1 14 14 THR N N 14 109.188 109.188 115.626 -6.438 18081 7260 1 12 . 1 1 14 14 THR HA H 14 4.252 4.252 4.043 0.209 18081 7261 1 12 . 1 1 14 14 THR C C 14 176.733 176.733 175.372 1.361 18081 7262 1 12 . 1 1 14 14 THR CA C 14 63.996 63.996 65.217 -1.221 18081 7263 1 12 . 1 1 14 14 THR CB C 14 69.270 69.270 68.949 0.321 18081 7264 1 12 . 1 1 14 14 THR H H 14 8.413 8.413 8.158 0.255 18081 7265 1 12 . 1 1 15 15 THR N N 15 108.904 108.904 109.411 -0.507 18081 7266 1 12 . 1 1 15 15 THR HA H 15 4.733 4.733 4.468 0.265 18081 7267 1 12 . 1 1 15 15 THR C C 15 177.174 177.174 173.923 3.251 18081 7268 1 12 . 1 1 15 15 THR CA C 15 61.589 61.589 61.490 0.099 18081 7269 1 12 . 1 1 15 15 THR CB C 15 70.654 70.654 69.565 1.089 18081 7270 1 12 . 1 1 15 15 THR H H 15 7.413 7.413 7.875 -0.462 18081 7271 1 12 . 1 1 16 16 VAL N N 16 122.387 122.387 123.562 -1.175 18081 7272 1 12 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.783 0.415 18081 7273 1 12 . 1 1 16 16 VAL C C 16 175.683 175.683 175.182 0.501 18081 7274 1 12 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.332 -0.880 18081 7275 1 12 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.911 -0.410 18081 7276 1 12 . 1 1 16 16 VAL H H 16 7.143 7.143 7.345 -0.202 18081 7277 1 12 . 1 1 17 17 ARG N N 17 115.917 115.917 115.744 0.173 18081 7278 1 12 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.223 0.048 18081 7279 1 12 . 1 1 17 17 ARG C C 17 175.861 175.861 178.215 -2.354 18081 7280 1 12 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.837 -0.787 18081 7281 1 12 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.491 0.535 18081 7282 1 12 . 1 1 17 17 ARG H H 17 8.227 8.227 8.368 -0.141 18081 7283 1 12 . 1 1 18 18 GLN N N 18 117.044 117.044 117.682 -0.638 18081 7284 1 12 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.288 0.111 18081 7285 1 12 . 1 1 18 18 GLN C C 18 175.506 175.506 175.413 0.093 18081 7286 1 12 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.422 -0.283 18081 7287 1 12 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.585 1.224 18081 7288 1 12 . 1 1 18 18 GLN H H 18 7.765 7.765 8.027 -0.262 18081 7289 1 12 . 1 1 19 19 GLU N N 19 118.659 118.659 119.285 -0.626 18081 7290 1 12 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.452 0.107 18081 7291 1 12 . 1 1 19 19 GLU C C 19 175.081 175.081 174.956 0.125 18081 7292 1 12 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.517 -0.334 18081 7293 1 12 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.993 0.398 18081 7294 1 12 . 1 1 19 19 GLU H H 19 8.070 8.070 7.858 0.212 18081 7295 1 12 . 1 1 20 20 GLY N N 20 113.694 113.694 112.335 1.359 18081 7296 1 12 . 1 1 20 20 GLY C C 20 174.150 174.150 172.386 1.764 18081 7297 1 12 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.719 -0.171 18081 7298 1 12 . 1 1 20 20 GLY H H 20 8.933 8.933 8.197 0.736 18081 7299 1 12 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.145 -0.472 18081 7300 1 12 . 1 1 21 21 PRO C C 21 176.703 176.703 176.298 0.405 18081 7301 1 12 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.342 0.539 18081 7302 1 12 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.080 -1.043 18081 7303 1 12 . 1 1 22 22 TRP N N 22 117.898 117.898 115.710 2.188 18081 7304 1 12 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.523 -0.208 18081 7305 1 12 . 1 1 22 22 TRP C C 22 174.965 174.965 176.646 -1.681 18081 7306 1 12 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.852 2.669 18081 7307 1 12 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.681 0.590 18081 7308 1 12 . 1 1 22 22 TRP H H 22 8.759 8.759 8.005 0.754 18081 7309 1 12 . 1 1 23 23 ALA N N 23 120.887 120.887 121.785 -0.898 18081 7310 1 12 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.516 -0.592 18081 7311 1 12 . 1 1 23 23 ALA C C 23 177.520 177.520 178.193 -0.673 18081 7312 1 12 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.242 1.539 18081 7313 1 12 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.535 -0.987 18081 7314 1 12 . 1 1 23 23 ALA H H 23 7.232 7.232 7.079 0.153 18081 7315 1 12 . 1 1 24 24 ASP N N 24 115.176 115.176 117.766 -2.590 18081 7316 1 12 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.109 0.077 18081 7317 1 12 . 1 1 24 24 ASP C C 24 176.860 176.860 175.612 1.248 18081 7318 1 12 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.186 -1.566 18081 7319 1 12 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.606 -1.119 18081 7320 1 12 . 1 1 24 24 ASP H H 24 7.718 7.718 7.506 0.212 18081 7321 1 12 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.390 -0.091 18081 7322 1 12 . 1 1 25 25 PRO C C 25 177.445 177.445 177.296 0.149 18081 7323 1 12 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.723 -0.242 18081 7324 1 12 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.071 -0.175 18081 7325 1 12 . 1 1 26 26 ALA N N 26 120.150 120.150 120.726 -0.576 18081 7326 1 12 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.277 0.028 18081 7327 1 12 . 1 1 26 26 ALA C C 26 179.061 179.061 178.345 0.716 18081 7328 1 12 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.735 0.112 18081 7329 1 12 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.133 0.119 18081 7330 1 12 . 1 1 26 26 ALA H H 26 8.158 8.158 7.965 0.193 18081 7331 1 12 . 1 1 27 27 GLN N N 27 117.617 117.617 116.314 1.303 18081 7332 1 12 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.434 0.261 18081 7333 1 12 . 1 1 27 27 GLN C C 27 175.309 175.309 176.131 -0.822 18081 7334 1 12 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.598 -0.340 18081 7335 1 12 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.644 0.088 18081 7336 1 12 . 1 1 27 27 GLN H H 27 7.732 7.732 7.421 0.311 18081 7337 1 12 . 1 1 28 28 ALA N N 28 122.069 122.069 124.326 -2.257 18081 7338 1 12 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.188 0.193 18081 7339 1 12 . 1 1 28 28 ALA C C 28 176.358 176.358 177.416 -1.058 18081 7340 1 12 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.917 0.665 18081 7341 1 12 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.010 1.911 18081 7342 1 12 . 1 1 28 28 ALA H H 28 6.996 6.996 7.508 -0.512 18081 7343 1 12 . 1 1 29 29 VAL N N 29 114.478 114.478 117.618 -3.140 18081 7344 1 12 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.106 0.601 18081 7345 1 12 . 1 1 29 29 VAL C C 29 176.252 176.252 175.436 0.816 18081 7346 1 12 . 1 1 29 29 VAL CA C 29 61.989 61.989 62.228 -0.239 18081 7347 1 12 . 1 1 29 29 VAL CB C 29 31.600 31.600 31.091 0.509 18081 7348 1 12 . 1 1 29 29 VAL H H 29 7.868 7.868 8.136 -0.268 18081 7349 1 12 . 1 1 30 30 VAL N N 30 129.718 129.718 126.038 3.680 18081 7350 1 12 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.334 0.053 18081 7351 1 12 . 1 1 30 30 VAL C C 30 175.107 175.107 175.446 -0.339 18081 7352 1 12 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.458 0.285 18081 7353 1 12 . 1 1 30 30 VAL CB C 30 35.258 35.258 34.558 0.700 18081 7354 1 12 . 1 1 30 30 VAL H H 30 9.556 9.556 7.933 1.623 18081 7355 1 12 . 1 1 31 31 GLN N N 31 129.372 129.372 127.109 2.263 18081 7356 1 12 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.200 -0.059 18081 7357 1 12 . 1 1 31 31 GLN C C 31 176.413 176.413 175.961 0.452 18081 7358 1 12 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.556 -0.506 18081 7359 1 12 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.345 -1.294 18081 7360 1 12 . 1 1 31 31 GLN H H 31 9.153 9.153 8.793 0.360 18081 7361 1 12 . 1 1 32 32 THR N N 32 119.775 119.775 119.694 0.081 18081 7362 1 12 . 1 1 32 32 THR HA H 32 4.392 4.392 4.470 -0.078 18081 7363 1 12 . 1 1 32 32 THR C C 32 174.102 174.102 173.960 0.142 18081 7364 1 12 . 1 1 32 32 THR CA C 32 61.678 61.678 61.627 0.051 18081 7365 1 12 . 1 1 32 32 THR CB C 32 68.775 68.775 70.132 -1.357 18081 7366 1 12 . 1 1 32 32 THR H H 32 8.266 8.266 8.313 -0.047 18081 7367 1 12 . 1 1 33 33 GLY N N 33 111.761 111.761 109.922 1.839 18081 7368 1 12 . 1 1 33 33 GLY C C 33 170.586 170.586 171.638 -1.052 18081 7369 1 12 . 1 1 33 33 GLY CA C 33 45.082 45.082 42.760 2.322 18081 7370 1 12 . 1 1 33 33 GLY H H 33 7.997 7.997 7.514 0.483 18081 7371 1 12 . 1 1 34 34 PRO C C 34 176.674 176.674 176.542 0.132 18081 7372 1 12 . 1 1 34 34 PRO CA C 34 64.881 64.881 63.314 1.567 18081 7373 1 12 . 1 1 34 34 PRO CB C 34 31.361 31.361 31.296 0.065 18081 7374 1 12 . 1 1 35 35 ASN N N 35 117.681 117.681 120.045 -2.364 18081 7375 1 12 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.245 0.609 18081 7376 1 12 . 1 1 35 35 ASN C C 35 173.262 173.262 173.116 0.146 18081 7377 1 12 . 1 1 35 35 ASN CA C 35 52.123 52.123 54.297 -2.174 18081 7378 1 12 . 1 1 35 35 ASN CB C 35 39.756 39.756 37.889 1.867 18081 7379 1 12 . 1 1 35 35 ASN H H 35 8.649 8.649 8.549 0.100 18081 7380 1 12 . 1 1 36 36 GLN N N 36 119.276 119.276 113.676 5.600 18081 7381 1 12 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.939 0.628 18081 7382 1 12 . 1 1 36 36 GLN C C 36 173.292 173.292 173.087 0.205 18081 7383 1 12 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.108 0.495 18081 7384 1 12 . 1 1 36 36 GLN CB C 36 33.874 33.874 33.120 0.754 18081 7385 1 12 . 1 1 36 36 GLN H H 36 6.953 6.953 7.098 -0.145 18081 7386 1 12 . 1 1 37 37 TYR N N 37 125.339 125.339 117.392 7.947 18081 7387 1 12 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.710 0.354 18081 7388 1 12 . 1 1 37 37 TYR C C 37 174.321 174.321 174.873 -0.552 18081 7389 1 12 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.548 -0.076 18081 7390 1 12 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.392 -1.696 18081 7391 1 12 . 1 1 37 37 TYR H H 37 8.898 8.898 8.477 0.421 18081 7392 1 12 . 1 1 38 38 THR N N 38 121.935 121.935 120.556 1.379 18081 7393 1 12 . 1 1 38 38 THR HA H 38 5.098 5.098 4.536 0.562 18081 7394 1 12 . 1 1 38 38 THR C C 38 172.253 172.253 174.160 -1.907 18081 7395 1 12 . 1 1 38 38 THR CA C 38 61.589 61.589 62.329 -0.740 18081 7396 1 12 . 1 1 38 38 THR CB C 38 69.764 69.764 68.206 1.558 18081 7397 1 12 . 1 1 38 38 THR H H 38 9.592 9.592 8.313 1.279 18081 7398 1 12 . 1 1 39 39 VAL N N 39 126.189 126.189 126.909 -0.720 18081 7399 1 12 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.968 1.133 18081 7400 1 12 . 1 1 39 39 VAL C C 39 174.612 174.612 174.469 0.143 18081 7401 1 12 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.807 -2.176 18081 7402 1 12 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.830 1.241 18081 7403 1 12 . 1 1 39 39 VAL H H 39 8.710 8.710 8.131 0.579 18081 7404 1 12 . 1 1 40 40 TYR N N 40 130.243 130.243 122.906 7.337 18081 7405 1 12 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.327 -0.686 18081 7406 1 12 . 1 1 40 40 TYR C C 40 174.840 174.840 175.252 -0.412 18081 7407 1 12 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.850 1.802 18081 7408 1 12 . 1 1 40 40 TYR CB C 40 36.840 36.840 41.701 -4.861 18081 7409 1 12 . 1 1 40 40 TYR H H 40 9.139 9.139 8.481 0.658 18081 7410 1 12 . 1 1 41 41 VAL N N 41 124.415 124.415 120.333 4.082 18081 7411 1 12 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.615 0.725 18081 7412 1 12 . 1 1 41 41 VAL C C 41 175.680 175.680 174.161 1.519 18081 7413 1 12 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.270 -1.016 18081 7414 1 12 . 1 1 41 41 VAL CB C 41 34.862 34.862 36.106 -1.244 18081 7415 1 12 . 1 1 41 41 VAL H H 41 8.686 8.686 9.480 -0.794 18081 7416 1 12 . 1 1 42 42 LEU N N 42 129.148 129.148 128.127 1.021 18081 7417 1 12 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.990 0.156 18081 7418 1 12 . 1 1 42 42 LEU C C 42 175.161 175.161 174.919 0.242 18081 7419 1 12 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.443 -1.664 18081 7420 1 12 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.511 -0.872 18081 7421 1 12 . 1 1 42 42 LEU H H 42 9.694 9.694 8.668 1.026 18081 7422 1 12 . 1 1 43 43 ALA N N 43 130.434 130.434 127.417 3.017 18081 7423 1 12 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.539 0.183 18081 7424 1 12 . 1 1 43 43 ALA C C 43 173.292 173.292 175.160 -1.868 18081 7425 1 12 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.943 -1.789 18081 7426 1 12 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.324 -0.194 18081 7427 1 12 . 1 1 43 43 ALA H H 43 8.679 8.679 8.343 0.336 18081 7428 1 12 . 1 1 44 44 PHE N N 44 118.472 118.472 118.699 -0.227 18081 7429 1 12 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.933 0.276 18081 7430 1 12 . 1 1 44 44 PHE C C 44 172.698 172.698 174.951 -2.253 18081 7431 1 12 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.369 -2.244 18081 7432 1 12 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.029 1.645 18081 7433 1 12 . 1 1 44 44 PHE H H 44 7.756 7.756 7.785 -0.029 18081 7434 1 12 . 1 1 45 45 ALA N N 45 122.901 122.901 123.312 -0.411 18081 7435 1 12 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.267 -0.854 18081 7436 1 12 . 1 1 45 45 ALA C C 45 177.267 177.267 177.021 0.246 18081 7437 1 12 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.678 -6.396 18081 7438 1 12 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.575 -2.795 18081 7439 1 12 . 1 1 45 45 ALA H H 45 9.739 9.739 8.796 0.943 18081 7440 1 12 . 1 1 46 46 PHE N N 46 128.515 128.515 118.853 9.662 18081 7441 1 12 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.715 0.505 18081 7442 1 12 . 1 1 46 46 PHE C C 46 173.387 173.387 175.721 -2.334 18081 7443 1 12 . 1 1 46 46 PHE CA C 46 60.031 60.031 57.326 2.705 18081 7444 1 12 . 1 1 46 46 PHE CB C 46 40.399 40.399 39.036 1.363 18081 7445 1 12 . 1 1 46 46 PHE H H 46 7.994 7.994 8.372 -0.378 18081 7446 1 12 . 1 1 47 47 GLY N N 47 113.741 113.741 107.830 5.911 18081 7447 1 12 . 1 1 47 47 GLY C C 47 167.774 167.774 172.054 -4.280 18081 7448 1 12 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.855 0.381 18081 7449 1 12 . 1 1 47 47 GLY H H 47 7.796 7.796 7.707 0.089 18081 7450 1 12 . 1 1 48 48 TYR N N 48 119.637 119.637 119.863 -0.226 18081 7451 1 12 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.441 0.897 18081 7452 1 12 . 1 1 48 48 TYR C C 48 175.042 175.042 173.585 1.457 18081 7453 1 12 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.547 -1.253 18081 7454 1 12 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.975 0.987 18081 7455 1 12 . 1 1 48 48 TYR H H 48 8.370 8.370 8.358 0.012 18081 7456 1 12 . 1 1 49 49 GLN N N 49 121.776 121.776 122.155 -0.379 18081 7457 1 12 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.599 0.218 18081 7458 1 12 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.516 -1.181 18081 7459 1 12 . 1 1 49 49 GLN CB C 49 33.874 33.874 32.355 1.519 18081 7460 1 12 . 1 1 49 49 GLN H H 49 9.163 9.163 7.496 1.667 18081 7461 1 12 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.525 0.217 18081 7462 1 12 . 1 1 50 50 PRO C C 50 174.271 174.271 175.761 -1.490 18081 7463 1 12 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.742 0.048 18081 7464 1 12 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.340 2.325 18081 7465 1 12 . 1 1 51 51 ASN N N 51 113.755 113.755 115.144 -1.389 18081 7466 1 12 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.987 0.093 18081 7467 1 12 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.523 -0.524 18081 7468 1 12 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.487 2.209 18081 7469 1 12 . 1 1 51 51 ASN H H 51 8.229 8.229 8.390 -0.161 18081 7470 1 12 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.410 0.861 18081 7471 1 12 . 1 1 52 52 PRO C C 52 176.525 176.525 175.792 0.733 18081 7472 1 12 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.879 0.712 18081 7473 1 12 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.406 4.501 18081 7474 1 12 . 1 1 53 53 ILE N N 53 120.452 120.452 123.784 -3.332 18081 7475 1 12 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.269 -0.203 18081 7476 1 12 . 1 1 53 53 ILE C C 53 174.236 174.236 174.800 -0.564 18081 7477 1 12 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.637 0.863 18081 7478 1 12 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.138 -0.233 18081 7479 1 12 . 1 1 53 53 ILE H H 53 8.321 8.321 8.210 0.111 18081 7480 1 12 . 1 1 54 54 GLU N N 54 129.279 129.279 128.748 0.531 18081 7481 1 12 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.550 0.917 18081 7482 1 12 . 1 1 54 54 GLU C C 54 175.598 175.598 174.760 0.838 18081 7483 1 12 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.979 0.025 18081 7484 1 12 . 1 1 54 54 GLU CB C 54 30.907 30.907 31.953 -1.046 18081 7485 1 12 . 1 1 54 54 GLU H H 54 8.458 8.458 8.516 -0.058 18081 7486 1 12 . 1 1 55 55 VAL N N 55 115.767 115.767 125.499 -9.732 18081 7487 1 12 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.498 0.158 18081 7488 1 12 . 1 1 55 55 VAL C C 55 172.453 172.453 173.285 -0.832 18081 7489 1 12 . 1 1 55 55 VAL CA C 55 56.739 56.739 57.643 -0.904 18081 7490 1 12 . 1 1 55 55 VAL CB C 55 33.972 33.972 33.834 0.139 18081 7491 1 12 . 1 1 55 55 VAL H H 55 8.492 8.492 8.544 -0.052 18081 7492 1 12 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.698 -0.031 18081 7493 1 12 . 1 1 56 56 PRO C C 56 177.445 177.445 176.790 0.655 18081 7494 1 12 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.391 -0.712 18081 7495 1 12 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.707 0.288 18081 7496 1 12 . 1 1 57 57 GLN N N 57 122.020 122.020 125.242 -3.222 18081 7497 1 12 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.060 -0.170 18081 7498 1 12 . 1 1 57 57 GLN C C 57 176.735 176.735 176.865 -0.130 18081 7499 1 12 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.444 0.428 18081 7500 1 12 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.616 -0.774 18081 7501 1 12 . 1 1 57 57 GLN H H 57 8.466 8.466 8.036 0.430 18081 7502 1 12 . 1 1 58 58 GLY N N 58 112.805 112.805 108.840 3.965 18081 7503 1 12 . 1 1 58 58 GLY C C 58 172.686 172.686 173.445 -0.759 18081 7504 1 12 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.325 1.046 18081 7505 1 12 . 1 1 58 58 GLY H H 58 8.713 8.713 8.235 0.478 18081 7506 1 12 . 1 1 59 59 ALA N N 59 122.839 122.839 122.140 0.699 18081 7507 1 12 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.547 0.004 18081 7508 1 12 . 1 1 59 59 ALA C C 59 176.659 176.659 175.085 1.574 18081 7509 1 12 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.895 -0.163 18081 7510 1 12 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.875 -1.151 18081 7511 1 12 . 1 1 59 59 ALA H H 59 6.982 6.982 7.282 -0.300 18081 7512 1 12 . 1 1 60 60 GLU N N 60 123.390 123.390 119.533 3.857 18081 7513 1 12 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.321 -0.014 18081 7514 1 12 . 1 1 60 60 GLU C C 60 173.876 173.876 175.462 -1.586 18081 7515 1 12 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.911 -0.083 18081 7516 1 12 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.877 -0.562 18081 7517 1 12 . 1 1 60 60 GLU H H 60 8.260 8.260 8.590 -0.330 18081 7518 1 12 . 1 1 61 61 ILE N N 61 130.883 130.883 123.651 7.232 18081 7519 1 12 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.591 0.231 18081 7520 1 12 . 1 1 61 61 ILE C C 61 175.267 175.267 175.027 0.240 18081 7521 1 12 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.841 -1.418 18081 7522 1 12 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.992 -3.240 18081 7523 1 12 . 1 1 61 61 ILE H H 61 9.103 9.103 8.380 0.723 18081 7524 1 12 . 1 1 62 62 VAL N N 62 127.879 127.879 127.577 0.302 18081 7525 1 12 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.694 -0.346 18081 7526 1 12 . 1 1 62 62 VAL C C 62 175.598 175.598 175.666 -0.068 18081 7527 1 12 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.090 -0.347 18081 7528 1 12 . 1 1 62 62 VAL CB C 62 31.204 31.204 32.059 -0.855 18081 7529 1 12 . 1 1 62 62 VAL H H 62 8.992 8.992 8.915 0.077 18081 7530 1 12 . 1 1 63 63 PHE N N 63 125.354 125.354 129.313 -3.959 18081 7531 1 12 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.494 0.499 18081 7532 1 12 . 1 1 63 63 PHE C C 63 175.507 175.507 174.931 0.576 18081 7533 1 12 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.307 -1.500 18081 7534 1 12 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.738 -0.130 18081 7535 1 12 . 1 1 63 63 PHE H H 63 9.521 9.521 8.624 0.897 18081 7536 1 12 . 1 1 64 64 LYS N N 64 123.471 123.471 122.996 0.475 18081 7537 1 12 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.285 -0.192 18081 7538 1 12 . 1 1 64 64 LYS C C 64 175.877 175.877 175.529 0.348 18081 7539 1 12 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.102 -0.721 18081 7540 1 12 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.901 -0.832 18081 7541 1 12 . 1 1 64 64 LYS H H 64 8.977 8.977 8.360 0.617 18081 7542 1 12 . 1 1 65 65 ILE N N 65 125.792 125.792 124.315 1.477 18081 7543 1 12 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.461 0.342 18081 7544 1 12 . 1 1 65 65 ILE C C 65 175.724 175.724 176.196 -0.472 18081 7545 1 12 . 1 1 65 65 ILE CA C 65 59.764 59.764 59.717 0.047 18081 7546 1 12 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.677 0.711 18081 7547 1 12 . 1 1 65 65 ILE H H 65 9.390 9.390 8.800 0.590 18081 7548 1 12 . 1 1 66 66 THR N N 66 119.455 119.455 117.987 1.468 18081 7549 1 12 . 1 1 66 66 THR HA H 66 4.583 4.583 4.572 0.011 18081 7550 1 12 . 1 1 66 66 THR C C 66 170.978 170.978 172.443 -1.465 18081 7551 1 12 . 1 1 66 66 THR CA C 66 61.233 61.233 61.642 -0.409 18081 7552 1 12 . 1 1 66 66 THR CB C 66 70.456 70.456 69.952 0.504 18081 7553 1 12 . 1 1 66 66 THR H H 66 8.176 8.176 8.099 0.077 18081 7554 1 12 . 1 1 67 67 SER N N 67 115.523 115.523 120.794 -5.271 18081 7555 1 12 . 1 1 67 67 SER HA H 67 6.316 6.316 5.105 1.211 18081 7556 1 12 . 1 1 67 67 SER C C 67 174.516 174.516 172.719 1.797 18081 7557 1 12 . 1 1 67 67 SER CA C 67 51.222 51.222 55.797 -4.575 18081 7558 1 12 . 1 1 67 67 SER CB C 67 66.501 66.501 65.482 1.019 18081 7559 1 12 . 1 1 67 67 SER H H 67 7.190 7.190 8.568 -1.378 18081 7560 1 12 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.290 0.538 18081 7561 1 12 . 1 1 68 68 PRO C C 68 174.360 174.360 175.643 -1.283 18081 7562 1 12 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.779 -2.211 18081 7563 1 12 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.933 0.556 18081 7564 1 12 . 1 1 69 69 ASP N N 69 120.505 120.505 117.886 2.619 18081 7565 1 12 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.876 -0.128 18081 7566 1 12 . 1 1 69 69 ASP C C 69 173.775 173.775 174.415 -0.640 18081 7567 1 12 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.244 1.205 18081 7568 1 12 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.461 1.520 18081 7569 1 12 . 1 1 69 69 ASP H H 69 8.594 8.594 8.324 0.270 18081 7570 1 12 . 1 1 70 70 VAL N N 70 120.074 120.074 115.952 4.122 18081 7571 1 12 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.548 0.026 18081 7572 1 12 . 1 1 70 70 VAL C C 70 174.866 174.866 173.683 1.183 18081 7573 1 12 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.018 -0.787 18081 7574 1 12 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.777 0.283 18081 7575 1 12 . 1 1 70 70 VAL H H 70 10.855 10.855 7.674 3.181 18081 7576 1 12 . 1 1 71 71 ILE N N 71 121.272 121.272 117.630 3.642 18081 7577 1 12 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.385 0.053 18081 7578 1 12 . 1 1 71 71 ILE CA C 71 62.434 62.434 59.722 2.712 18081 7579 1 12 . 1 1 71 71 ILE CB C 71 38.521 38.521 40.387 -1.866 18081 7580 1 12 . 1 1 71 71 ILE H H 71 7.670 7.670 8.103 -0.433 18081 7581 1 12 . 1 1 73 73 GLY C C 73 172.580 172.580 174.061 -1.481 18081 7582 1 12 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.133 -0.719 18081 7583 1 12 . 1 1 74 74 PHE N N 74 123.714 123.714 119.957 3.757 18081 7584 1 12 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.893 -0.608 18081 7585 1 12 . 1 1 74 74 PHE C C 74 171.502 171.502 173.867 -2.365 18081 7586 1 12 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.973 3.724 18081 7587 1 12 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.400 0.395 18081 7588 1 12 . 1 1 74 74 PHE H H 74 8.712 8.712 7.043 1.669 18081 7589 1 12 . 1 1 75 75 HIS N N 75 124.835 124.835 120.455 4.380 18081 7590 1 12 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.837 0.621 18081 7591 1 12 . 1 1 75 75 HIS C C 75 172.817 172.817 173.884 -1.067 18081 7592 1 12 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.438 -3.015 18081 7593 1 12 . 1 1 75 75 HIS CB C 75 29.523 29.523 33.944 -4.421 18081 7594 1 12 . 1 1 75 75 HIS H H 75 7.786 7.786 8.606 -0.820 18081 7595 1 12 . 1 1 76 76 VAL N N 76 124.569 124.569 123.254 1.315 18081 7596 1 12 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.219 0.074 18081 7597 1 12 . 1 1 76 76 VAL C C 76 175.843 175.843 174.390 1.453 18081 7598 1 12 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.049 0.650 18081 7599 1 12 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.656 -4.288 18081 7600 1 12 . 1 1 76 76 VAL H H 76 6.558 6.558 7.906 -1.348 18081 7601 1 12 . 1 1 77 77 GLU N N 77 132.091 132.091 128.460 3.631 18081 7602 1 12 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.079 -0.190 18081 7603 1 12 . 1 1 77 77 GLU C C 77 176.941 176.941 177.603 -0.662 18081 7604 1 12 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.357 1.340 18081 7605 1 12 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.532 0.683 18081 7606 1 12 . 1 1 77 77 GLU H H 77 8.977 8.977 8.549 0.428 18081 7607 1 12 . 1 1 78 78 GLY N N 78 111.143 111.143 109.388 1.755 18081 7608 1 12 . 1 1 78 78 GLY C C 78 174.152 174.152 174.368 -0.216 18081 7609 1 12 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.975 -0.715 18081 7610 1 12 . 1 1 78 78 GLY H H 78 8.052 8.052 8.805 -0.753 18081 7611 1 12 . 1 1 79 79 THR N N 79 109.705 109.705 117.159 -7.454 18081 7612 1 12 . 1 1 79 79 THR HA H 79 4.949 4.949 4.466 0.483 18081 7613 1 12 . 1 1 79 79 THR C C 79 173.397 173.397 173.735 -0.338 18081 7614 1 12 . 1 1 79 79 THR CA C 79 60.076 60.076 61.135 -1.059 18081 7615 1 12 . 1 1 79 79 THR CB C 79 72.829 72.829 70.279 2.550 18081 7616 1 12 . 1 1 79 79 THR H H 79 7.810 7.810 7.875 -0.065 18081 7617 1 12 . 1 1 80 80 ASN N N 80 116.427 116.427 118.864 -2.437 18081 7618 1 12 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.819 0.101 18081 7619 1 12 . 1 1 80 80 ASN C C 80 175.665 175.665 174.922 0.743 18081 7620 1 12 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.674 -0.651 18081 7621 1 12 . 1 1 80 80 ASN CB C 80 37.532 37.532 38.707 -1.175 18081 7622 1 12 . 1 1 80 80 ASN H H 80 7.856 7.856 8.520 -0.664 18081 7623 1 12 . 1 1 81 81 ILE N N 81 121.552 121.552 121.471 0.081 18081 7624 1 12 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.753 0.044 18081 7625 1 12 . 1 1 81 81 ILE C C 81 176.564 176.564 174.718 1.846 18081 7626 1 12 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.776 0.747 18081 7627 1 12 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.224 -0.123 18081 7628 1 12 . 1 1 81 81 ILE H H 81 8.493 8.493 7.799 0.694 18081 7629 1 12 . 1 1 82 82 ASN N N 82 131.507 131.507 127.647 3.860 18081 7630 1 12 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.930 0.221 18081 7631 1 12 . 1 1 82 82 ASN C C 82 173.025 173.025 174.102 -1.077 18081 7632 1 12 . 1 1 82 82 ASN CA C 82 54.267 54.267 52.285 1.982 18081 7633 1 12 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.948 0.858 18081 7634 1 12 . 1 1 82 82 ASN H H 82 8.911 8.911 8.384 0.527 18081 7635 1 12 . 1 1 83 83 VAL N N 83 120.866 120.866 118.440 2.426 18081 7636 1 12 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.414 0.251 18081 7637 1 12 . 1 1 83 83 VAL C C 83 173.954 173.954 174.275 -0.321 18081 7638 1 12 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.116 -0.996 18081 7639 1 12 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.223 3.430 18081 7640 1 12 . 1 1 83 83 VAL H H 83 8.356 8.356 8.119 0.237 18081 7641 1 12 . 1 1 84 84 GLU N N 84 125.997 125.997 125.890 0.107 18081 7642 1 12 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.517 0.070 18081 7643 1 12 . 1 1 84 84 GLU C C 84 174.600 174.600 174.556 0.044 18081 7644 1 12 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.689 -0.662 18081 7645 1 12 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.736 -0.927 18081 7646 1 12 . 1 1 84 84 GLU H H 84 8.534 8.534 8.551 -0.017 18081 7647 1 12 . 1 1 85 85 VAL N N 85 125.888 125.888 118.609 7.279 18081 7648 1 12 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.539 -0.490 18081 7649 1 12 . 1 1 85 85 VAL C C 85 173.256 173.256 174.191 -0.935 18081 7650 1 12 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.849 0.668 18081 7651 1 12 . 1 1 85 85 VAL CB C 85 32.786 32.786 33.946 -1.160 18081 7652 1 12 . 1 1 85 85 VAL H H 85 8.782 8.782 7.938 0.844 18081 7653 1 12 . 1 1 86 86 LEU N N 86 128.745 128.745 125.458 3.287 18081 7654 1 12 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.373 0.428 18081 7655 1 12 . 1 1 86 86 LEU CA C 86 51.934 51.934 54.560 -2.626 18081 7656 1 12 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.506 0.904 18081 7657 1 12 . 1 1 86 86 LEU H H 86 9.131 9.131 8.484 0.647 18081 7658 1 12 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.302 0.362 18081 7659 1 12 . 1 1 87 87 PRO C C 87 178.454 178.454 177.259 1.195 18081 7660 1 12 . 1 1 87 87 PRO CA C 87 62.612 62.612 62.946 -0.334 18081 7661 1 12 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.318 -1.113 18081 7662 1 12 . 1 1 88 88 GLY N N 88 112.804 112.804 108.846 3.958 18081 7663 1 12 . 1 1 88 88 GLY C C 88 173.451 173.451 173.173 0.278 18081 7664 1 12 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.143 -0.061 18081 7665 1 12 . 1 1 88 88 GLY H H 88 9.103 9.103 8.585 0.518 18081 7666 1 12 . 1 1 89 89 GLU N N 89 118.355 118.355 115.989 2.366 18081 7667 1 12 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.559 0.541 18081 7668 1 12 . 1 1 89 89 GLU C C 89 176.719 176.719 174.738 1.981 18081 7669 1 12 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.309 -0.062 18081 7670 1 12 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.582 0.281 18081 7671 1 12 . 1 1 89 89 GLU H H 89 7.764 7.764 7.464 0.300 18081 7672 1 12 . 1 1 90 90 VAL N N 90 127.142 127.142 122.558 4.584 18081 7673 1 12 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.785 -0.285 18081 7674 1 12 . 1 1 90 90 VAL C C 90 176.838 176.838 176.459 0.379 18081 7675 1 12 . 1 1 90 90 VAL CA C 90 61.856 61.856 62.569 -0.713 18081 7676 1 12 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.977 0.161 18081 7677 1 12 . 1 1 90 90 VAL H H 90 8.830 8.830 8.501 0.329 18081 7678 1 12 . 1 1 91 91 SER N N 91 127.859 127.859 121.978 5.881 18081 7679 1 12 . 1 1 91 91 SER HA H 91 4.924 4.924 4.914 0.010 18081 7680 1 12 . 1 1 91 91 SER C C 91 173.015 173.015 173.803 -0.788 18081 7681 1 12 . 1 1 91 91 SER CA C 91 58.118 58.118 57.728 0.390 18081 7682 1 12 . 1 1 91 91 SER CB C 91 63.931 63.931 65.542 -1.611 18081 7683 1 12 . 1 1 91 91 SER H H 91 9.710 9.710 8.422 1.288 18081 7684 1 12 . 1 1 92 92 THR N N 92 122.627 122.627 117.660 4.967 18081 7685 1 12 . 1 1 92 92 THR HA H 92 5.682 5.682 5.222 0.460 18081 7686 1 12 . 1 1 92 92 THR C C 92 174.480 174.480 173.395 1.085 18081 7687 1 12 . 1 1 92 92 THR CA C 92 61.856 61.856 61.700 0.155 18081 7688 1 12 . 1 1 92 92 THR CB C 92 70.160 70.160 71.530 -1.370 18081 7689 1 12 . 1 1 92 92 THR H H 92 8.864 8.864 8.433 0.431 18081 7690 1 12 . 1 1 93 93 VAL N N 93 126.698 126.698 124.348 2.350 18081 7691 1 12 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.480 0.027 18081 7692 1 12 . 1 1 93 93 VAL C C 93 173.002 173.002 174.230 -1.228 18081 7693 1 12 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.834 -0.180 18081 7694 1 12 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.610 0.043 18081 7695 1 12 . 1 1 93 93 VAL H H 93 8.806 8.806 8.633 0.173 18081 7696 1 12 . 1 1 94 94 ARG N N 94 126.396 126.396 127.908 -1.512 18081 7697 1 12 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.091 0.799 18081 7698 1 12 . 1 1 94 94 ARG C C 94 175.885 175.885 175.500 0.385 18081 7699 1 12 . 1 1 94 94 ARG CA C 94 54.381 54.381 55.089 -0.708 18081 7700 1 12 . 1 1 94 94 ARG CB C 94 32.588 32.588 29.062 3.526 18081 7701 1 12 . 1 1 94 94 ARG H H 94 8.630 8.630 8.693 -0.063 18081 7702 1 12 . 1 1 95 95 TYR N N 95 126.390 126.390 126.235 0.155 18081 7703 1 12 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.782 -0.462 18081 7704 1 12 . 1 1 95 95 TYR C C 95 172.683 172.683 174.044 -1.361 18081 7705 1 12 . 1 1 95 95 TYR CA C 95 59.586 59.586 56.898 2.688 18081 7706 1 12 . 1 1 95 95 TYR CB C 95 44.453 44.453 39.398 5.055 18081 7707 1 12 . 1 1 95 95 TYR H H 95 9.623 9.623 8.191 1.432 18081 7708 1 12 . 1 1 96 96 THR N N 96 121.396 121.396 122.248 -0.852 18081 7709 1 12 . 1 1 96 96 THR HA H 96 4.684 4.684 4.357 0.327 18081 7710 1 12 . 1 1 96 96 THR C C 96 172.729 172.729 172.965 -0.236 18081 7711 1 12 . 1 1 96 96 THR CA C 96 61.322 61.322 60.744 0.578 18081 7712 1 12 . 1 1 96 96 THR CB C 96 70.160 70.160 70.956 -0.796 18081 7713 1 12 . 1 1 96 96 THR H H 96 6.742 6.742 8.384 -1.642 18081 7714 1 12 . 1 1 97 97 PHE N N 97 126.539 126.539 125.777 0.762 18081 7715 1 12 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.764 -0.311 18081 7716 1 12 . 1 1 97 97 PHE C C 97 176.075 176.075 175.410 0.665 18081 7717 1 12 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.055 1.152 18081 7718 1 12 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.975 -2.067 18081 7719 1 12 . 1 1 97 97 PHE H H 97 8.933 8.933 8.595 0.338 18081 7720 1 12 . 1 1 98 98 LYS N N 98 123.417 123.417 119.162 4.255 18081 7721 1 12 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.464 -0.071 18081 7722 1 12 . 1 1 98 98 LYS C C 98 175.939 175.939 175.169 0.770 18081 7723 1 12 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.755 0.028 18081 7724 1 12 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.562 -0.578 18081 7725 1 12 . 1 1 98 98 LYS H H 98 8.604 8.604 8.295 0.309 18081 7726 1 12 . 1 1 99 99 ARG N N 99 118.424 118.424 119.670 -1.246 18081 7727 1 12 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.775 0.245 18081 7728 1 12 . 1 1 99 99 ARG C C 99 174.332 174.332 173.474 0.858 18081 7729 1 12 . 1 1 99 99 ARG CA C 99 52.601 52.601 52.882 -0.281 18081 7730 1 12 . 1 1 99 99 ARG CB C 99 31.600 31.600 29.671 1.929 18081 7731 1 12 . 1 1 99 99 ARG H H 99 7.801 7.801 7.889 -0.088 18081 7732 1 12 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.411 -0.028 18081 7733 1 12 . 1 1 100 100 PRO C C 100 175.190 175.190 176.515 -1.325 18081 7734 1 12 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.630 -0.062 18081 7735 1 12 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.140 0.448 18081 7736 1 12 . 1 1 101 101 GLY N N 101 108.626 108.626 108.367 0.259 18081 7737 1 12 . 1 1 101 101 GLY C C 101 171.375 171.375 171.779 -0.404 18081 7738 1 12 . 1 1 101 101 GLY CA C 101 44.103 44.103 45.136 -1.032 18081 7739 1 12 . 1 1 101 101 GLY H H 101 8.685 8.685 7.736 0.949 18081 7740 1 12 . 1 1 102 102 GLU N N 102 119.327 119.327 121.180 -1.853 18081 7741 1 12 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.811 0.340 18081 7742 1 12 . 1 1 102 102 GLU C C 102 176.066 176.066 175.202 0.864 18081 7743 1 12 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.122 0.282 18081 7744 1 12 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.471 -0.267 18081 7745 1 12 . 1 1 102 102 GLU H H 102 8.144 8.144 8.445 -0.301 18081 7746 1 12 . 1 1 103 103 TYR N N 103 125.807 125.807 121.322 4.485 18081 7747 1 12 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.937 -0.291 18081 7748 1 12 . 1 1 103 103 TYR C C 103 174.711 174.711 173.724 0.987 18081 7749 1 12 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.649 -0.311 18081 7750 1 12 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.831 -0.642 18081 7751 1 12 . 1 1 103 103 TYR H H 103 9.687 9.687 8.704 0.983 18081 7752 1 12 . 1 1 104 104 ARG N N 104 124.463 124.463 122.190 2.273 18081 7753 1 12 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.838 -0.211 18081 7754 1 12 . 1 1 104 104 ARG C C 104 174.570 174.570 175.242 -0.672 18081 7755 1 12 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.748 2.017 18081 7756 1 12 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.940 -1.242 18081 7757 1 12 . 1 1 104 104 ARG H H 104 8.902 8.902 8.179 0.723 18081 7758 1 12 . 1 1 105 105 ILE N N 105 124.589 124.589 119.803 4.786 18081 7759 1 12 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.532 0.837 18081 7760 1 12 . 1 1 105 105 ILE C C 105 175.576 175.576 174.436 1.140 18081 7761 1 12 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.831 -1.895 18081 7762 1 12 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.504 1.307 18081 7763 1 12 . 1 1 105 105 ILE H H 105 8.289 8.289 8.414 -0.125 18081 7764 1 12 . 1 1 106 106 ILE N N 106 121.777 121.777 123.343 -1.566 18081 7765 1 12 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.386 0.652 18081 7766 1 12 . 1 1 106 106 ILE CA C 106 59.223 59.223 61.204 -1.981 18081 7767 1 12 . 1 1 106 106 ILE CB C 106 42.475 42.475 38.675 3.800 18081 7768 1 12 . 1 1 106 106 ILE H H 106 8.765 8.765 8.082 0.683 18081 7769 1 12 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.166 -0.044 18081 7770 1 12 . 1 1 109 109 GLN C C 109 175.724 175.724 174.110 1.614 18081 7771 1 12 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.220 0.252 18081 7772 1 12 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.458 -1.330 18081 7773 1 12 . 1 1 110 110 TYR N N 110 120.856 120.856 118.946 1.910 18081 7774 1 12 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.256 0.233 18081 7775 1 12 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.793 -0.808 18081 7776 1 12 . 1 1 110 110 TYR CB C 110 37.927 37.927 37.070 0.857 18081 7777 1 12 . 1 1 110 110 TYR H H 110 8.191 8.191 8.389 -0.198 18081 7778 1 12 . 1 1 111 111 CYS N N 111 120.561 120.561 120.285 0.276 18081 7779 1 12 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.280 0.103 18081 7780 1 12 . 1 1 111 111 CYS C C 111 174.692 174.692 173.487 1.205 18081 7781 1 12 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.733 -1.116 18081 7782 1 12 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.532 -0.556 18081 7783 1 12 . 1 1 111 111 CYS H H 111 8.166 8.166 8.355 -0.189 18081 7784 1 12 . 1 1 112 112 GLY N N 112 111.467 111.467 108.582 2.885 18081 7785 1 12 . 1 1 112 112 GLY C C 112 173.900 173.900 173.376 0.524 18081 7786 1 12 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.958 0.187 18081 7787 1 12 . 1 1 112 112 GLY H H 112 8.239 8.239 7.916 0.323 18081 7788 1 12 . 1 1 113 113 LEU N N 113 122.150 122.150 118.046 4.104 18081 7789 1 12 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.589 -0.265 18081 7790 1 12 . 1 1 113 113 LEU C C 113 178.068 178.068 177.933 0.135 18081 7791 1 12 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.493 0.225 18081 7792 1 12 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.607 -0.528 18081 7793 1 12 . 1 1 113 113 LEU H H 113 8.179 8.179 7.493 0.686 18081 7794 1 12 . 1 1 114 114 GLY N N 114 109.278 109.278 108.327 0.951 18081 7795 1 12 . 1 1 114 114 GLY C C 114 174.142 174.142 174.612 -0.470 18081 7796 1 12 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.817 -0.468 18081 7797 1 12 . 1 1 114 114 GLY H H 114 8.393 8.393 8.610 -0.217 18081 7798 1 12 . 1 1 117 117 ASN N N 117 120.387 120.387 116.681 3.706 18081 7799 1 12 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.364 0.314 18081 7800 1 12 . 1 1 117 117 ASN C C 117 174.422 174.422 174.659 -0.237 18081 7801 1 12 . 1 1 117 117 ASN CA C 117 53.179 53.179 54.120 -0.941 18081 7802 1 12 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.284 0.731 18081 7803 1 12 . 1 1 117 117 ASN H H 117 8.522 8.522 8.696 -0.174 18081 7804 1 12 . 1 1 118 118 MET N N 118 120.526 120.526 120.485 0.041 18081 7805 1 12 . 1 1 118 118 MET C C 118 173.321 173.321 174.912 -1.591 18081 7806 1 12 . 1 1 118 118 MET CA C 118 55.360 55.360 56.174 -0.814 18081 7807 1 12 . 1 1 118 118 MET CB C 118 34.467 34.467 33.447 1.020 18081 7808 1 12 . 1 1 118 118 MET H H 118 7.981 7.981 8.552 -0.571 18081 7809 1 12 . 1 1 119 119 PHE N N 119 119.704 119.704 112.613 7.091 18081 7810 1 12 . 1 1 119 119 PHE HA H 119 5.822 5.822 5.031 0.791 18081 7811 1 12 . 1 1 119 119 PHE C C 119 174.894 174.894 174.780 0.114 18081 7812 1 12 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.454 -0.338 18081 7813 1 12 . 1 1 119 119 PHE CB C 119 42.377 42.377 40.392 1.985 18081 7814 1 12 . 1 1 119 119 PHE H H 119 8.068 8.068 7.483 0.585 18081 7815 1 12 . 1 1 120 120 GLY N N 120 109.869 109.869 107.606 2.263 18081 7816 1 12 . 1 1 120 120 GLY C C 120 172.817 172.817 173.219 -0.402 18081 7817 1 12 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.206 0.075 18081 7818 1 12 . 1 1 120 120 GLY H H 120 8.984 8.984 8.251 0.733 18081 7819 1 12 . 1 1 121 121 THR N N 121 115.820 115.820 115.974 -0.154 18081 7820 1 12 . 1 1 121 121 THR HA H 121 5.068 5.068 4.293 0.775 18081 7821 1 12 . 1 1 121 121 THR C C 121 173.062 173.062 173.714 -0.652 18081 7822 1 12 . 1 1 121 121 THR CA C 121 62.745 62.745 63.226 -0.481 18081 7823 1 12 . 1 1 121 121 THR CB C 121 72.533 72.533 69.830 2.703 18081 7824 1 12 . 1 1 121 121 THR H H 121 8.123 8.123 8.387 -0.264 18081 7825 1 12 . 1 1 122 122 ILE N N 122 127.420 127.420 127.128 0.292 18081 7826 1 12 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.121 0.714 18081 7827 1 12 . 1 1 122 122 ILE C C 122 174.260 174.260 173.036 1.224 18081 7828 1 12 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.842 -0.766 18081 7829 1 12 . 1 1 122 122 ILE CB C 122 40.399 40.399 41.278 -0.879 18081 7830 1 12 . 1 1 122 122 ILE H H 122 9.152 9.152 8.284 0.868 18081 7831 1 12 . 1 1 123 123 VAL N N 123 130.032 130.032 127.508 2.524 18081 7832 1 12 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.534 -0.155 18081 7833 1 12 . 1 1 123 123 VAL C C 123 174.012 174.012 173.686 0.326 18081 7834 1 12 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.470 2.341 18081 7835 1 12 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.790 -2.510 18081 7836 1 12 . 1 1 123 123 VAL H H 123 9.601 9.601 7.823 1.778 18081 7837 1 12 . 1 1 124 124 VAL N N 124 128.765 128.765 129.707 -0.942 18081 7838 1 12 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.443 0.256 18081 7839 1 12 . 1 1 124 124 VAL C C 124 177.239 177.239 175.019 2.220 18081 7840 1 12 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.309 -0.744 18081 7841 1 12 . 1 1 124 124 VAL CB C 124 31.303 31.303 33.070 -1.767 18081 7842 1 12 . 1 1 124 124 VAL H H 124 9.056 9.056 8.837 0.219 18081 7843 1 12 . 1 1 125 125 LYS N N 125 129.953 129.953 128.486 1.467 18081 7844 1 12 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.519 -0.178 18081 7845 1 12 . 1 1 125 125 LYS C C 125 175.317 175.317 176.052 -0.735 18081 7846 1 12 . 1 1 125 125 LYS CA C 125 55.449 55.449 54.230 1.219 18081 7847 1 12 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.299 1.278 18081 7848 1 12 . 1 1 125 125 LYS H H 125 8.854 8.854 8.667 0.187 18081 7849 1 13 . 1 1 2 2 VAL N N 2 126.137 126.137 122.543 3.594 18081 7850 1 13 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.147 -0.121 18081 7851 1 13 . 1 1 2 2 VAL C C 2 176.484 176.484 175.017 1.467 18081 7852 1 13 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.448 0.120 18081 7853 1 13 . 1 1 2 2 VAL CB C 2 32.391 32.391 30.219 2.172 18081 7854 1 13 . 1 1 2 2 VAL H H 2 8.035 8.035 8.232 -0.197 18081 7855 1 13 . 1 1 3 3 ILE N N 3 124.059 124.059 120.739 3.320 18081 7856 1 13 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.654 -0.159 18081 7857 1 13 . 1 1 3 3 ILE C C 3 174.606 174.606 174.743 -0.137 18081 7858 1 13 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.879 -0.494 18081 7859 1 13 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.804 0.717 18081 7860 1 13 . 1 1 3 3 ILE H H 3 7.856 7.856 7.639 0.217 18081 7861 1 13 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.584 -0.211 18081 7862 1 13 . 1 1 4 4 PRO C C 4 176.585 176.585 176.086 0.499 18081 7863 1 13 . 1 1 4 4 PRO CA C 4 63.190 63.190 63.026 0.164 18081 7864 1 13 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.650 -0.686 18081 7865 1 13 . 1 1 5 5 ALA N N 5 125.371 125.371 121.425 3.946 18081 7866 1 13 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.366 -0.079 18081 7867 1 13 . 1 1 5 5 ALA C C 5 178.454 178.454 178.208 0.246 18081 7868 1 13 . 1 1 5 5 ALA CA C 5 52.735 52.735 51.802 0.933 18081 7869 1 13 . 1 1 5 5 ALA CB C 5 19.043 19.043 20.800 -1.757 18081 7870 1 13 . 1 1 5 5 ALA H H 5 8.458 8.458 7.821 0.637 18081 7871 1 13 . 1 1 6 6 GLY N N 6 108.626 108.626 108.396 0.230 18081 7872 1 13 . 1 1 6 6 GLY C C 6 173.996 173.996 174.154 -0.158 18081 7873 1 13 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.802 -0.631 18081 7874 1 13 . 1 1 6 6 GLY H H 6 8.378 8.378 8.650 -0.272 18081 7875 1 13 . 1 1 7 7 LYS N N 7 121.320 121.320 119.846 1.474 18081 7876 1 13 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.395 -0.066 18081 7877 1 13 . 1 1 7 7 LYS C C 7 176.362 176.362 175.130 1.232 18081 7878 1 13 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.718 0.398 18081 7879 1 13 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.267 -1.283 18081 7880 1 13 . 1 1 7 7 LYS H H 7 7.976 7.976 7.983 -0.007 18081 7881 1 13 . 1 1 8 8 LEU N N 8 124.548 124.548 118.858 5.690 18081 7882 1 13 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.239 0.152 18081 7883 1 13 . 1 1 8 8 LEU C C 8 176.772 176.772 175.119 1.653 18081 7884 1 13 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.941 -0.759 18081 7885 1 13 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.379 0.096 18081 7886 1 13 . 1 1 8 8 LEU H H 8 8.283 8.283 8.390 -0.107 18081 7887 1 13 . 1 1 9 9 GLU N N 9 124.888 124.888 119.148 5.740 18081 7888 1 13 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.678 -0.288 18081 7889 1 13 . 1 1 9 9 GLU C C 9 174.919 174.919 175.376 -0.457 18081 7890 1 13 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.856 1.616 18081 7891 1 13 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.713 -2.102 18081 7892 1 13 . 1 1 9 9 GLU H H 9 8.679 8.679 8.630 0.049 18081 7893 1 13 . 1 1 10 10 ARG N N 10 123.557 123.557 123.480 0.077 18081 7894 1 13 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.468 0.504 18081 7895 1 13 . 1 1 10 10 ARG C C 10 175.727 175.727 176.244 -0.517 18081 7896 1 13 . 1 1 10 10 ARG CA C 10 55.085 55.085 56.118 -1.033 18081 7897 1 13 . 1 1 10 10 ARG CB C 10 32.545 32.545 30.591 1.954 18081 7898 1 13 . 1 1 10 10 ARG H H 10 8.248 8.248 8.598 -0.350 18081 7899 1 13 . 1 1 11 11 VAL N N 11 118.077 118.077 121.433 -3.356 18081 7900 1 13 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.368 0.012 18081 7901 1 13 . 1 1 11 11 VAL C C 11 173.297 173.297 174.582 -1.285 18081 7902 1 13 . 1 1 11 11 VAL CA C 11 59.586 59.586 60.041 -0.455 18081 7903 1 13 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.197 0.566 18081 7904 1 13 . 1 1 11 11 VAL H H 11 8.039 8.039 7.926 0.113 18081 7905 1 13 . 1 1 12 12 ASP N N 12 123.786 123.786 116.891 6.895 18081 7906 1 13 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.965 -0.014 18081 7907 1 13 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.857 -1.258 18081 7908 1 13 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.752 -2.364 18081 7909 1 13 . 1 1 12 12 ASP H H 12 8.313 8.313 8.156 0.157 18081 7910 1 13 . 1 1 13 13 PRO C C 13 177.705 177.705 177.138 0.567 18081 7911 1 13 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.327 0.412 18081 7912 1 13 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.891 -0.269 18081 7913 1 13 . 1 1 14 14 THR N N 14 109.188 109.188 114.293 -5.105 18081 7914 1 13 . 1 1 14 14 THR HA H 14 4.252 4.252 4.096 0.156 18081 7915 1 13 . 1 1 14 14 THR C C 14 176.733 176.733 175.347 1.386 18081 7916 1 13 . 1 1 14 14 THR CA C 14 63.996 63.996 65.001 -1.005 18081 7917 1 13 . 1 1 14 14 THR CB C 14 69.270 69.270 68.883 0.387 18081 7918 1 13 . 1 1 14 14 THR H H 14 8.413 8.413 8.213 0.200 18081 7919 1 13 . 1 1 15 15 THR N N 15 108.904 108.904 109.502 -0.598 18081 7920 1 13 . 1 1 15 15 THR HA H 15 4.733 4.733 4.461 0.272 18081 7921 1 13 . 1 1 15 15 THR C C 15 177.174 177.174 174.236 2.938 18081 7922 1 13 . 1 1 15 15 THR CA C 15 61.589 61.589 61.842 -0.253 18081 7923 1 13 . 1 1 15 15 THR CB C 15 70.654 70.654 69.185 1.469 18081 7924 1 13 . 1 1 15 15 THR H H 15 7.413 7.413 7.836 -0.423 18081 7925 1 13 . 1 1 16 16 VAL N N 16 122.387 122.387 123.113 -0.726 18081 7926 1 13 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.855 0.343 18081 7927 1 13 . 1 1 16 16 VAL C C 16 175.683 175.683 175.265 0.418 18081 7928 1 13 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.000 0.452 18081 7929 1 13 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.240 -0.739 18081 7930 1 13 . 1 1 16 16 VAL H H 16 7.143 7.143 7.365 -0.222 18081 7931 1 13 . 1 1 17 17 ARG N N 17 115.917 115.917 116.147 -0.230 18081 7932 1 13 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.262 0.009 18081 7933 1 13 . 1 1 17 17 ARG C C 17 175.861 175.861 178.051 -2.190 18081 7934 1 13 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.738 -0.688 18081 7935 1 13 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.548 0.478 18081 7936 1 13 . 1 1 17 17 ARG H H 17 8.227 8.227 8.195 0.032 18081 7937 1 13 . 1 1 18 18 GLN N N 18 117.044 117.044 117.679 -0.635 18081 7938 1 13 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.338 0.061 18081 7939 1 13 . 1 1 18 18 GLN C C 18 175.506 175.506 175.403 0.103 18081 7940 1 13 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.971 0.168 18081 7941 1 13 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.606 1.203 18081 7942 1 13 . 1 1 18 18 GLN H H 18 7.765 7.765 7.961 -0.196 18081 7943 1 13 . 1 1 19 19 GLU N N 19 118.659 118.659 119.371 -0.712 18081 7944 1 13 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.440 0.119 18081 7945 1 13 . 1 1 19 19 GLU C C 19 175.081 175.081 174.948 0.133 18081 7946 1 13 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.757 -0.575 18081 7947 1 13 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.987 0.404 18081 7948 1 13 . 1 1 19 19 GLU H H 19 8.070 8.070 8.013 0.057 18081 7949 1 13 . 1 1 20 20 GLY N N 20 113.694 113.694 112.568 1.126 18081 7950 1 13 . 1 1 20 20 GLY C C 20 174.150 174.150 172.338 1.812 18081 7951 1 13 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.722 -0.174 18081 7952 1 13 . 1 1 20 20 GLY H H 20 8.933 8.933 8.197 0.736 18081 7953 1 13 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.143 -0.470 18081 7954 1 13 . 1 1 21 21 PRO C C 21 176.703 176.703 176.769 -0.066 18081 7955 1 13 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.448 0.433 18081 7956 1 13 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.090 -1.053 18081 7957 1 13 . 1 1 22 22 TRP N N 22 117.898 117.898 115.561 2.337 18081 7958 1 13 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.611 -0.296 18081 7959 1 13 . 1 1 22 22 TRP C C 22 174.965 174.965 176.255 -1.290 18081 7960 1 13 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.648 2.873 18081 7961 1 13 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.570 0.701 18081 7962 1 13 . 1 1 22 22 TRP H H 22 8.759 8.759 8.123 0.636 18081 7963 1 13 . 1 1 23 23 ALA N N 23 120.887 120.887 121.591 -0.704 18081 7964 1 13 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.441 -0.517 18081 7965 1 13 . 1 1 23 23 ALA C C 23 177.520 177.520 178.015 -0.495 18081 7966 1 13 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.011 1.770 18081 7967 1 13 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.732 -1.184 18081 7968 1 13 . 1 1 23 23 ALA H H 23 7.232 7.232 7.115 0.117 18081 7969 1 13 . 1 1 24 24 ASP N N 24 115.176 115.176 117.545 -2.369 18081 7970 1 13 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.108 0.078 18081 7971 1 13 . 1 1 24 24 ASP C C 24 176.860 176.860 175.145 1.715 18081 7972 1 13 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.068 -1.448 18081 7973 1 13 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.907 -1.420 18081 7974 1 13 . 1 1 24 24 ASP H H 24 7.718 7.718 7.459 0.259 18081 7975 1 13 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.284 0.015 18081 7976 1 13 . 1 1 25 25 PRO C C 25 177.445 177.445 177.567 -0.122 18081 7977 1 13 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.100 0.381 18081 7978 1 13 . 1 1 25 25 PRO CB C 25 31.896 31.896 31.998 -0.102 18081 7979 1 13 . 1 1 26 26 ALA N N 26 120.150 120.150 121.271 -1.121 18081 7980 1 13 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.193 0.112 18081 7981 1 13 . 1 1 26 26 ALA C C 26 179.061 179.061 177.714 1.347 18081 7982 1 13 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.372 0.475 18081 7983 1 13 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.300 -0.048 18081 7984 1 13 . 1 1 26 26 ALA H H 26 8.158 8.158 8.190 -0.032 18081 7985 1 13 . 1 1 27 27 GLN N N 27 117.617 117.617 115.523 2.094 18081 7986 1 13 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.535 0.160 18081 7987 1 13 . 1 1 27 27 GLN C C 27 175.309 175.309 175.747 -0.438 18081 7988 1 13 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.330 -0.071 18081 7989 1 13 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.281 0.451 18081 7990 1 13 . 1 1 27 27 GLN H H 27 7.732 7.732 7.568 0.164 18081 7991 1 13 . 1 1 28 28 ALA N N 28 122.069 122.069 123.765 -1.696 18081 7992 1 13 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.236 0.145 18081 7993 1 13 . 1 1 28 28 ALA C C 28 176.358 176.358 177.212 -0.854 18081 7994 1 13 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.513 1.069 18081 7995 1 13 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.384 1.537 18081 7996 1 13 . 1 1 28 28 ALA H H 28 6.996 6.996 7.438 -0.442 18081 7997 1 13 . 1 1 29 29 VAL N N 29 114.478 114.478 118.019 -3.541 18081 7998 1 13 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.747 -0.040 18081 7999 1 13 . 1 1 29 29 VAL C C 29 176.252 176.252 175.187 1.065 18081 8000 1 13 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.894 1.095 18081 8001 1 13 . 1 1 29 29 VAL CB C 29 31.600 31.600 32.903 -1.303 18081 8002 1 13 . 1 1 29 29 VAL H H 29 7.868 7.868 7.796 0.072 18081 8003 1 13 . 1 1 30 30 VAL N N 30 129.718 129.718 127.691 2.027 18081 8004 1 13 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.522 -0.135 18081 8005 1 13 . 1 1 30 30 VAL C C 30 175.107 175.107 174.933 0.174 18081 8006 1 13 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.363 0.380 18081 8007 1 13 . 1 1 30 30 VAL CB C 30 35.258 35.258 34.874 0.384 18081 8008 1 13 . 1 1 30 30 VAL H H 30 9.556 9.556 8.379 1.177 18081 8009 1 13 . 1 1 31 31 GLN N N 31 129.372 129.372 125.178 4.194 18081 8010 1 13 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.279 -0.138 18081 8011 1 13 . 1 1 31 31 GLN C C 31 176.413 176.413 175.481 0.932 18081 8012 1 13 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.819 0.231 18081 8013 1 13 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.965 -1.915 18081 8014 1 13 . 1 1 31 31 GLN H H 31 9.153 9.153 8.746 0.407 18081 8015 1 13 . 1 1 32 32 THR N N 32 119.775 119.775 121.032 -1.257 18081 8016 1 13 . 1 1 32 32 THR HA H 32 4.392 4.392 4.595 -0.203 18081 8017 1 13 . 1 1 32 32 THR C C 32 174.102 174.102 173.948 0.154 18081 8018 1 13 . 1 1 32 32 THR CA C 32 61.678 61.678 61.031 0.647 18081 8019 1 13 . 1 1 32 32 THR CB C 32 68.775 68.775 69.815 -1.040 18081 8020 1 13 . 1 1 32 32 THR H H 32 8.266 8.266 8.198 0.068 18081 8021 1 13 . 1 1 33 33 GLY N N 33 111.761 111.761 109.661 2.100 18081 8022 1 13 . 1 1 33 33 GLY C C 33 170.586 170.586 172.259 -1.673 18081 8023 1 13 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.470 1.612 18081 8024 1 13 . 1 1 33 33 GLY H H 33 7.997 7.997 7.371 0.626 18081 8025 1 13 . 1 1 34 34 PRO C C 34 176.674 176.674 176.361 0.313 18081 8026 1 13 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.332 0.549 18081 8027 1 13 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.569 -1.208 18081 8028 1 13 . 1 1 35 35 ASN N N 35 117.681 117.681 114.297 3.384 18081 8029 1 13 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.697 0.157 18081 8030 1 13 . 1 1 35 35 ASN C C 35 173.262 173.262 172.893 0.369 18081 8031 1 13 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.985 -0.862 18081 8032 1 13 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.215 0.541 18081 8033 1 13 . 1 1 35 35 ASN H H 35 8.649 8.649 8.181 0.468 18081 8034 1 13 . 1 1 36 36 GLN N N 36 119.276 119.276 117.071 2.205 18081 8035 1 13 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.894 0.673 18081 8036 1 13 . 1 1 36 36 GLN C C 36 173.292 173.292 173.698 -0.406 18081 8037 1 13 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.357 0.246 18081 8038 1 13 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.540 3.334 18081 8039 1 13 . 1 1 36 36 GLN H H 36 6.953 6.953 7.494 -0.541 18081 8040 1 13 . 1 1 37 37 TYR N N 37 125.339 125.339 124.157 1.182 18081 8041 1 13 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.765 0.299 18081 8042 1 13 . 1 1 37 37 TYR C C 37 174.321 174.321 175.735 -1.414 18081 8043 1 13 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.720 -0.248 18081 8044 1 13 . 1 1 37 37 TYR CB C 37 40.696 40.696 40.550 0.146 18081 8045 1 13 . 1 1 37 37 TYR H H 37 8.898 8.898 8.841 0.057 18081 8046 1 13 . 1 1 38 38 THR N N 38 121.935 121.935 120.814 1.121 18081 8047 1 13 . 1 1 38 38 THR HA H 38 5.098 5.098 4.529 0.569 18081 8048 1 13 . 1 1 38 38 THR C C 38 172.253 172.253 173.554 -1.301 18081 8049 1 13 . 1 1 38 38 THR CA C 38 61.589 61.589 62.740 -1.151 18081 8050 1 13 . 1 1 38 38 THR CB C 38 69.764 69.764 68.339 1.425 18081 8051 1 13 . 1 1 38 38 THR H H 38 9.592 9.592 9.089 0.503 18081 8052 1 13 . 1 1 39 39 VAL N N 39 126.189 126.189 126.899 -0.710 18081 8053 1 13 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.009 1.092 18081 8054 1 13 . 1 1 39 39 VAL C C 39 174.612 174.612 174.318 0.294 18081 8055 1 13 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.600 -1.969 18081 8056 1 13 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.149 1.922 18081 8057 1 13 . 1 1 39 39 VAL H H 39 8.710 8.710 8.313 0.397 18081 8058 1 13 . 1 1 40 40 TYR N N 40 130.243 130.243 124.369 5.874 18081 8059 1 13 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.948 -0.307 18081 8060 1 13 . 1 1 40 40 TYR C C 40 174.840 174.840 175.676 -0.836 18081 8061 1 13 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.972 1.680 18081 8062 1 13 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.650 -2.810 18081 8063 1 13 . 1 1 40 40 TYR H H 40 9.139 9.139 8.446 0.693 18081 8064 1 13 . 1 1 41 41 VAL N N 41 124.415 124.415 125.122 -0.707 18081 8065 1 13 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.472 0.868 18081 8066 1 13 . 1 1 41 41 VAL C C 41 175.680 175.680 174.699 0.981 18081 8067 1 13 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.069 -0.815 18081 8068 1 13 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.135 0.727 18081 8069 1 13 . 1 1 41 41 VAL H H 41 8.686 8.686 9.346 -0.660 18081 8070 1 13 . 1 1 42 42 LEU N N 42 129.148 129.148 130.357 -1.209 18081 8071 1 13 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.856 0.290 18081 8072 1 13 . 1 1 42 42 LEU C C 42 175.161 175.161 175.179 -0.018 18081 8073 1 13 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.383 -0.604 18081 8074 1 13 . 1 1 42 42 LEU CB C 42 45.639 45.639 45.042 0.597 18081 8075 1 13 . 1 1 42 42 LEU H H 42 9.694 9.694 8.848 0.846 18081 8076 1 13 . 1 1 43 43 ALA N N 43 130.434 130.434 129.527 0.907 18081 8077 1 13 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.759 -0.037 18081 8078 1 13 . 1 1 43 43 ALA C C 43 173.292 173.292 175.093 -1.801 18081 8079 1 13 . 1 1 43 43 ALA CA C 43 50.154 50.154 52.246 -2.092 18081 8080 1 13 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.089 -0.959 18081 8081 1 13 . 1 1 43 43 ALA H H 43 8.679 8.679 8.046 0.632 18081 8082 1 13 . 1 1 44 44 PHE N N 44 118.472 118.472 120.503 -2.031 18081 8083 1 13 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.853 0.356 18081 8084 1 13 . 1 1 44 44 PHE C C 44 172.698 172.698 174.548 -1.850 18081 8085 1 13 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.776 -1.651 18081 8086 1 13 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.838 1.835 18081 8087 1 13 . 1 1 44 44 PHE H H 44 7.756 7.756 8.150 -0.394 18081 8088 1 13 . 1 1 45 45 ALA N N 45 122.901 122.901 124.726 -1.825 18081 8089 1 13 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.269 -0.856 18081 8090 1 13 . 1 1 45 45 ALA C C 45 177.267 177.267 176.510 0.757 18081 8091 1 13 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.308 -6.025 18081 8092 1 13 . 1 1 45 45 ALA CB C 45 15.780 15.780 17.810 -2.030 18081 8093 1 13 . 1 1 45 45 ALA H H 45 9.739 9.739 8.672 1.067 18081 8094 1 13 . 1 1 46 46 PHE N N 46 128.515 128.515 117.943 10.572 18081 8095 1 13 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.757 0.463 18081 8096 1 13 . 1 1 46 46 PHE C C 46 173.387 173.387 174.701 -1.314 18081 8097 1 13 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.597 3.434 18081 8098 1 13 . 1 1 46 46 PHE CB C 46 40.399 40.399 39.973 0.426 18081 8099 1 13 . 1 1 46 46 PHE H H 46 7.994 7.994 7.585 0.409 18081 8100 1 13 . 1 1 47 47 GLY N N 47 113.741 113.741 106.814 6.927 18081 8101 1 13 . 1 1 47 47 GLY C C 47 167.774 167.774 171.408 -3.634 18081 8102 1 13 . 1 1 47 47 GLY CA C 47 45.235 45.235 45.147 0.088 18081 8103 1 13 . 1 1 47 47 GLY H H 47 7.796 7.796 6.885 0.911 18081 8104 1 13 . 1 1 48 48 TYR N N 48 119.637 119.637 120.200 -0.563 18081 8105 1 13 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.829 0.509 18081 8106 1 13 . 1 1 48 48 TYR C C 48 175.042 175.042 173.819 1.223 18081 8107 1 13 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.960 -1.666 18081 8108 1 13 . 1 1 48 48 TYR CB C 48 41.962 41.962 39.734 2.228 18081 8109 1 13 . 1 1 48 48 TYR H H 48 8.370 8.370 8.491 -0.121 18081 8110 1 13 . 1 1 49 49 GLN N N 49 121.776 121.776 127.051 -5.275 18081 8111 1 13 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.782 0.035 18081 8112 1 13 . 1 1 49 49 GLN CA C 49 52.334 52.334 51.855 0.479 18081 8113 1 13 . 1 1 49 49 GLN CB C 49 33.874 33.874 30.436 3.438 18081 8114 1 13 . 1 1 49 49 GLN H H 49 9.163 9.163 8.348 0.815 18081 8115 1 13 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.343 0.399 18081 8116 1 13 . 1 1 50 50 PRO C C 50 174.271 174.271 176.105 -1.834 18081 8117 1 13 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.495 0.295 18081 8118 1 13 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.394 2.271 18081 8119 1 13 . 1 1 51 51 ASN N N 51 113.755 113.755 117.381 -3.626 18081 8120 1 13 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.057 0.023 18081 8121 1 13 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.104 -0.105 18081 8122 1 13 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.875 1.821 18081 8123 1 13 . 1 1 51 51 ASN H H 51 8.229 8.229 8.423 -0.194 18081 8124 1 13 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.460 0.811 18081 8125 1 13 . 1 1 52 52 PRO C C 52 176.525 176.525 175.683 0.842 18081 8126 1 13 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.691 0.901 18081 8127 1 13 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.881 3.026 18081 8128 1 13 . 1 1 53 53 ILE N N 53 120.452 120.452 123.955 -3.503 18081 8129 1 13 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.339 -0.273 18081 8130 1 13 . 1 1 53 53 ILE C C 53 174.236 174.236 174.657 -0.421 18081 8131 1 13 . 1 1 53 53 ILE CA C 53 61.500 61.500 59.086 2.414 18081 8132 1 13 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.938 -1.033 18081 8133 1 13 . 1 1 53 53 ILE H H 53 8.321 8.321 7.994 0.327 18081 8134 1 13 . 1 1 54 54 GLU N N 54 129.279 129.279 123.404 5.875 18081 8135 1 13 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.624 0.843 18081 8136 1 13 . 1 1 54 54 GLU C C 54 175.598 175.598 174.555 1.043 18081 8137 1 13 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.588 -0.584 18081 8138 1 13 . 1 1 54 54 GLU CB C 54 30.907 30.907 31.830 -0.923 18081 8139 1 13 . 1 1 54 54 GLU H H 54 8.458 8.458 8.310 0.148 18081 8140 1 13 . 1 1 55 55 VAL N N 55 115.767 115.767 119.891 -4.124 18081 8141 1 13 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.612 0.044 18081 8142 1 13 . 1 1 55 55 VAL C C 55 172.453 172.453 173.592 -1.139 18081 8143 1 13 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.423 -1.684 18081 8144 1 13 . 1 1 55 55 VAL CB C 55 33.972 33.972 32.652 1.320 18081 8145 1 13 . 1 1 55 55 VAL H H 55 8.492 8.492 8.303 0.189 18081 8146 1 13 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.697 -0.030 18081 8147 1 13 . 1 1 56 56 PRO C C 56 177.445 177.445 177.440 0.005 18081 8148 1 13 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.190 -0.512 18081 8149 1 13 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.797 0.198 18081 8150 1 13 . 1 1 57 57 GLN N N 57 122.020 122.020 124.409 -2.389 18081 8151 1 13 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.069 -0.179 18081 8152 1 13 . 1 1 57 57 GLN C C 57 176.735 176.735 176.930 -0.195 18081 8153 1 13 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.382 0.490 18081 8154 1 13 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.708 -0.866 18081 8155 1 13 . 1 1 57 57 GLN H H 57 8.466 8.466 8.282 0.184 18081 8156 1 13 . 1 1 58 58 GLY N N 58 112.805 112.805 109.352 3.453 18081 8157 1 13 . 1 1 58 58 GLY C C 58 172.686 172.686 173.382 -0.696 18081 8158 1 13 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.897 1.475 18081 8159 1 13 . 1 1 58 58 GLY H H 58 8.713 8.713 8.430 0.283 18081 8160 1 13 . 1 1 59 59 ALA N N 59 122.839 122.839 122.330 0.509 18081 8161 1 13 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.545 0.006 18081 8162 1 13 . 1 1 59 59 ALA C C 59 176.659 176.659 175.134 1.525 18081 8163 1 13 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.894 -0.162 18081 8164 1 13 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.907 -1.183 18081 8165 1 13 . 1 1 59 59 ALA H H 59 6.982 6.982 7.344 -0.362 18081 8166 1 13 . 1 1 60 60 GLU N N 60 123.390 123.390 119.147 4.243 18081 8167 1 13 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.400 -0.093 18081 8168 1 13 . 1 1 60 60 GLU C C 60 173.876 173.876 175.710 -1.834 18081 8169 1 13 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.823 0.005 18081 8170 1 13 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.947 -0.633 18081 8171 1 13 . 1 1 60 60 GLU H H 60 8.260 8.260 8.397 -0.137 18081 8172 1 13 . 1 1 61 61 ILE N N 61 130.883 130.883 123.270 7.613 18081 8173 1 13 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.558 0.264 18081 8174 1 13 . 1 1 61 61 ILE C C 61 175.267 175.267 175.121 0.146 18081 8175 1 13 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.681 -1.258 18081 8176 1 13 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.040 -2.288 18081 8177 1 13 . 1 1 61 61 ILE H H 61 9.103 9.103 8.117 0.986 18081 8178 1 13 . 1 1 62 62 VAL N N 62 127.879 127.879 128.039 -0.160 18081 8179 1 13 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.529 -0.181 18081 8180 1 13 . 1 1 62 62 VAL C C 62 175.598 175.598 175.473 0.125 18081 8181 1 13 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.889 -1.146 18081 8182 1 13 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.762 -0.558 18081 8183 1 13 . 1 1 62 62 VAL H H 62 8.992 8.992 8.913 0.079 18081 8184 1 13 . 1 1 63 63 PHE N N 63 125.354 125.354 129.803 -4.449 18081 8185 1 13 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.520 0.473 18081 8186 1 13 . 1 1 63 63 PHE C C 63 175.507 175.507 174.922 0.585 18081 8187 1 13 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.199 -1.392 18081 8188 1 13 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.086 -0.478 18081 8189 1 13 . 1 1 63 63 PHE H H 63 9.521 9.521 8.602 0.919 18081 8190 1 13 . 1 1 64 64 LYS N N 64 123.471 123.471 122.779 0.692 18081 8191 1 13 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.308 -0.215 18081 8192 1 13 . 1 1 64 64 LYS C C 64 175.877 175.877 175.548 0.329 18081 8193 1 13 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.303 -0.922 18081 8194 1 13 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.163 -1.094 18081 8195 1 13 . 1 1 64 64 LYS H H 64 8.977 8.977 8.329 0.648 18081 8196 1 13 . 1 1 65 65 ILE N N 65 125.792 125.792 125.605 0.187 18081 8197 1 13 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.345 0.458 18081 8198 1 13 . 1 1 65 65 ILE C C 65 175.724 175.724 175.386 0.338 18081 8199 1 13 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.048 -0.284 18081 8200 1 13 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.598 0.790 18081 8201 1 13 . 1 1 65 65 ILE H H 65 9.390 9.390 8.391 0.999 18081 8202 1 13 . 1 1 66 66 THR N N 66 119.455 119.455 120.750 -1.295 18081 8203 1 13 . 1 1 66 66 THR HA H 66 4.583 4.583 4.702 -0.119 18081 8204 1 13 . 1 1 66 66 THR C C 66 170.978 170.978 172.551 -1.573 18081 8205 1 13 . 1 1 66 66 THR CA C 66 61.233 61.233 61.050 0.183 18081 8206 1 13 . 1 1 66 66 THR CB C 66 70.456 70.456 69.924 0.532 18081 8207 1 13 . 1 1 66 66 THR H H 66 8.176 8.176 7.943 0.233 18081 8208 1 13 . 1 1 67 67 SER N N 67 115.523 115.523 121.821 -6.298 18081 8209 1 13 . 1 1 67 67 SER HA H 67 6.316 6.316 5.019 1.297 18081 8210 1 13 . 1 1 67 67 SER C C 67 174.516 174.516 172.739 1.777 18081 8211 1 13 . 1 1 67 67 SER CA C 67 51.222 51.222 55.501 -4.279 18081 8212 1 13 . 1 1 67 67 SER CB C 67 66.501 66.501 65.493 1.008 18081 8213 1 13 . 1 1 67 67 SER H H 67 7.190 7.190 8.490 -1.300 18081 8214 1 13 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.284 0.544 18081 8215 1 13 . 1 1 68 68 PRO C C 68 174.360 174.360 175.722 -1.362 18081 8216 1 13 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.717 -2.149 18081 8217 1 13 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.973 0.516 18081 8218 1 13 . 1 1 69 69 ASP N N 69 120.505 120.505 117.477 3.028 18081 8219 1 13 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.877 -0.129 18081 8220 1 13 . 1 1 69 69 ASP C C 69 173.775 173.775 174.371 -0.596 18081 8221 1 13 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.728 1.721 18081 8222 1 13 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.342 -0.361 18081 8223 1 13 . 1 1 69 69 ASP H H 69 8.594 8.594 8.322 0.272 18081 8224 1 13 . 1 1 70 70 VAL N N 70 120.074 120.074 115.011 5.063 18081 8225 1 13 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.342 0.232 18081 8226 1 13 . 1 1 70 70 VAL C C 70 174.866 174.866 174.384 0.482 18081 8227 1 13 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.065 -0.834 18081 8228 1 13 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.605 0.455 18081 8229 1 13 . 1 1 70 70 VAL H H 70 10.855 10.855 7.697 3.158 18081 8230 1 13 . 1 1 71 71 ILE N N 71 121.272 121.272 122.096 -0.824 18081 8231 1 13 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.102 0.336 18081 8232 1 13 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.149 2.285 18081 8233 1 13 . 1 1 71 71 ILE CB C 71 38.521 38.521 38.848 -0.327 18081 8234 1 13 . 1 1 71 71 ILE H H 71 7.670 7.670 8.487 -0.817 18081 8235 1 13 . 1 1 73 73 GLY C C 73 172.580 172.580 173.463 -0.883 18081 8236 1 13 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.374 -0.960 18081 8237 1 13 . 1 1 74 74 PHE N N 74 123.714 123.714 119.184 4.530 18081 8238 1 13 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.981 -0.696 18081 8239 1 13 . 1 1 74 74 PHE C C 74 171.502 171.502 174.358 -2.856 18081 8240 1 13 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.337 4.360 18081 8241 1 13 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.113 0.682 18081 8242 1 13 . 1 1 74 74 PHE H H 74 8.712 8.712 6.811 1.901 18081 8243 1 13 . 1 1 75 75 HIS N N 75 124.835 124.835 118.692 6.143 18081 8244 1 13 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.973 0.485 18081 8245 1 13 . 1 1 75 75 HIS C C 75 172.817 172.817 174.256 -1.439 18081 8246 1 13 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.022 -1.599 18081 8247 1 13 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.913 -2.390 18081 8248 1 13 . 1 1 75 75 HIS H H 75 7.786 7.786 8.686 -0.900 18081 8249 1 13 . 1 1 76 76 VAL N N 76 124.569 124.569 122.633 1.936 18081 8250 1 13 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.026 0.267 18081 8251 1 13 . 1 1 76 76 VAL C C 76 175.843 175.843 175.829 0.014 18081 8252 1 13 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.201 0.498 18081 8253 1 13 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.998 -4.630 18081 8254 1 13 . 1 1 76 76 VAL H H 76 6.558 6.558 8.400 -1.842 18081 8255 1 13 . 1 1 77 77 GLU N N 77 132.091 132.091 125.465 6.626 18081 8256 1 13 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.209 -0.320 18081 8257 1 13 . 1 1 77 77 GLU C C 77 176.941 176.941 177.499 -0.558 18081 8258 1 13 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.221 2.475 18081 8259 1 13 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.093 0.121 18081 8260 1 13 . 1 1 77 77 GLU H H 77 8.977 8.977 8.261 0.716 18081 8261 1 13 . 1 1 78 78 GLY N N 78 111.143 111.143 107.035 4.108 18081 8262 1 13 . 1 1 78 78 GLY C C 78 174.152 174.152 174.194 -0.042 18081 8263 1 13 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.657 -0.397 18081 8264 1 13 . 1 1 78 78 GLY H H 78 8.052 8.052 8.795 -0.743 18081 8265 1 13 . 1 1 79 79 THR N N 79 109.705 109.705 114.672 -4.967 18081 8266 1 13 . 1 1 79 79 THR HA H 79 4.949 4.949 4.478 0.471 18081 8267 1 13 . 1 1 79 79 THR C C 79 173.397 173.397 173.219 0.178 18081 8268 1 13 . 1 1 79 79 THR CA C 79 60.076 60.076 60.724 -0.648 18081 8269 1 13 . 1 1 79 79 THR CB C 79 72.829 72.829 71.291 1.538 18081 8270 1 13 . 1 1 79 79 THR H H 79 7.810 7.810 7.636 0.174 18081 8271 1 13 . 1 1 80 80 ASN N N 80 116.427 116.427 121.105 -4.678 18081 8272 1 13 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.779 0.141 18081 8273 1 13 . 1 1 80 80 ASN C C 80 175.665 175.665 174.429 1.236 18081 8274 1 13 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.863 -0.840 18081 8275 1 13 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.880 -0.348 18081 8276 1 13 . 1 1 80 80 ASN H H 80 7.856 7.856 8.756 -0.900 18081 8277 1 13 . 1 1 81 81 ILE N N 81 121.552 121.552 123.754 -2.202 18081 8278 1 13 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.049 -0.252 18081 8279 1 13 . 1 1 81 81 ILE C C 81 176.564 176.564 174.015 2.549 18081 8280 1 13 . 1 1 81 81 ILE CA C 81 62.523 62.523 60.900 1.623 18081 8281 1 13 . 1 1 81 81 ILE CB C 81 38.101 38.101 37.677 0.424 18081 8282 1 13 . 1 1 81 81 ILE H H 81 8.493 8.493 7.559 0.934 18081 8283 1 13 . 1 1 82 82 ASN N N 82 131.507 131.507 126.811 4.696 18081 8284 1 13 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.926 0.225 18081 8285 1 13 . 1 1 82 82 ASN C C 82 173.025 173.025 174.154 -1.129 18081 8286 1 13 . 1 1 82 82 ASN CA C 82 54.267 54.267 52.411 1.856 18081 8287 1 13 . 1 1 82 82 ASN CB C 82 39.806 39.806 40.300 -0.494 18081 8288 1 13 . 1 1 82 82 ASN H H 82 8.911 8.911 8.145 0.766 18081 8289 1 13 . 1 1 83 83 VAL N N 83 120.866 120.866 119.305 1.561 18081 8290 1 13 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.412 0.253 18081 8291 1 13 . 1 1 83 83 VAL C C 83 173.954 173.954 174.051 -0.097 18081 8292 1 13 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.243 -1.123 18081 8293 1 13 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.485 2.168 18081 8294 1 13 . 1 1 83 83 VAL H H 83 8.356 8.356 8.300 0.056 18081 8295 1 13 . 1 1 84 84 GLU N N 84 125.997 125.997 125.274 0.723 18081 8296 1 13 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.439 0.148 18081 8297 1 13 . 1 1 84 84 GLU C C 84 174.600 174.600 174.422 0.178 18081 8298 1 13 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.839 0.188 18081 8299 1 13 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.113 -0.303 18081 8300 1 13 . 1 1 84 84 GLU H H 84 8.534 8.534 8.411 0.123 18081 8301 1 13 . 1 1 85 85 VAL N N 85 125.888 125.888 123.346 2.542 18081 8302 1 13 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.252 -0.203 18081 8303 1 13 . 1 1 85 85 VAL C C 85 173.256 173.256 174.892 -1.636 18081 8304 1 13 . 1 1 85 85 VAL CA C 85 61.517 61.517 61.463 0.054 18081 8305 1 13 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.973 -2.187 18081 8306 1 13 . 1 1 85 85 VAL H H 85 8.782 8.782 8.255 0.527 18081 8307 1 13 . 1 1 86 86 LEU N N 86 128.745 128.745 125.650 3.095 18081 8308 1 13 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.394 0.407 18081 8309 1 13 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.605 -1.671 18081 8310 1 13 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.471 0.939 18081 8311 1 13 . 1 1 86 86 LEU H H 86 9.131 9.131 8.380 0.751 18081 8312 1 13 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.292 0.372 18081 8313 1 13 . 1 1 87 87 PRO C C 87 178.454 178.454 177.461 0.993 18081 8314 1 13 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.025 -0.413 18081 8315 1 13 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.277 -1.072 18081 8316 1 13 . 1 1 88 88 GLY N N 88 112.804 112.804 108.317 4.487 18081 8317 1 13 . 1 1 88 88 GLY C C 88 173.451 173.451 173.238 0.213 18081 8318 1 13 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.037 0.045 18081 8319 1 13 . 1 1 88 88 GLY H H 88 9.103 9.103 8.598 0.505 18081 8320 1 13 . 1 1 89 89 GLU N N 89 118.355 118.355 117.861 0.494 18081 8321 1 13 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.683 0.417 18081 8322 1 13 . 1 1 89 89 GLU C C 89 176.719 176.719 173.954 2.765 18081 8323 1 13 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.788 -0.541 18081 8324 1 13 . 1 1 89 89 GLU CB C 89 32.863 32.863 34.055 -1.192 18081 8325 1 13 . 1 1 89 89 GLU H H 89 7.764 7.764 7.468 0.296 18081 8326 1 13 . 1 1 90 90 VAL N N 90 127.142 127.142 121.981 5.161 18081 8327 1 13 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.003 -0.503 18081 8328 1 13 . 1 1 90 90 VAL C C 90 176.838 176.838 175.034 1.804 18081 8329 1 13 . 1 1 90 90 VAL CA C 90 61.856 61.856 60.479 1.377 18081 8330 1 13 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.047 0.091 18081 8331 1 13 . 1 1 90 90 VAL H H 90 8.830 8.830 7.934 0.896 18081 8332 1 13 . 1 1 91 91 SER N N 91 127.859 127.859 124.048 3.811 18081 8333 1 13 . 1 1 91 91 SER HA H 91 4.924 4.924 4.719 0.205 18081 8334 1 13 . 1 1 91 91 SER C C 91 173.015 173.015 173.805 -0.790 18081 8335 1 13 . 1 1 91 91 SER CA C 91 58.118 58.118 58.497 -0.379 18081 8336 1 13 . 1 1 91 91 SER CB C 91 63.931 63.931 64.668 -0.737 18081 8337 1 13 . 1 1 91 91 SER H H 91 9.710 9.710 8.373 1.337 18081 8338 1 13 . 1 1 92 92 THR N N 92 122.627 122.627 117.203 5.424 18081 8339 1 13 . 1 1 92 92 THR HA H 92 5.682 5.682 5.570 0.112 18081 8340 1 13 . 1 1 92 92 THR C C 92 174.480 174.480 173.863 0.617 18081 8341 1 13 . 1 1 92 92 THR CA C 92 61.856 61.856 61.105 0.751 18081 8342 1 13 . 1 1 92 92 THR CB C 92 70.160 70.160 71.206 -1.045 18081 8343 1 13 . 1 1 92 92 THR H H 92 8.864 8.864 8.191 0.673 18081 8344 1 13 . 1 1 93 93 VAL N N 93 126.698 126.698 123.210 3.488 18081 8345 1 13 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.512 -0.005 18081 8346 1 13 . 1 1 93 93 VAL C C 93 173.002 173.002 174.758 -1.756 18081 8347 1 13 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.958 -1.304 18081 8348 1 13 . 1 1 93 93 VAL CB C 93 35.653 35.653 36.400 -0.747 18081 8349 1 13 . 1 1 93 93 VAL H H 93 8.806 8.806 8.413 0.393 18081 8350 1 13 . 1 1 94 94 ARG N N 94 126.396 126.396 125.495 0.901 18081 8351 1 13 . 1 1 94 94 ARG HA H 94 5.890 5.890 4.923 0.967 18081 8352 1 13 . 1 1 94 94 ARG C C 94 175.885 175.885 175.223 0.662 18081 8353 1 13 . 1 1 94 94 ARG CA C 94 54.381 54.381 55.362 -0.981 18081 8354 1 13 . 1 1 94 94 ARG CB C 94 32.588 32.588 29.321 3.267 18081 8355 1 13 . 1 1 94 94 ARG H H 94 8.630 8.630 8.746 -0.116 18081 8356 1 13 . 1 1 95 95 TYR N N 95 126.390 126.390 124.490 1.900 18081 8357 1 13 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.758 -0.438 18081 8358 1 13 . 1 1 95 95 TYR C C 95 172.683 172.683 174.175 -1.492 18081 8359 1 13 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.013 1.573 18081 8360 1 13 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.895 3.558 18081 8361 1 13 . 1 1 95 95 TYR H H 95 9.623 9.623 8.054 1.569 18081 8362 1 13 . 1 1 96 96 THR N N 96 121.396 121.396 119.319 2.077 18081 8363 1 13 . 1 1 96 96 THR HA H 96 4.684 4.684 4.658 0.026 18081 8364 1 13 . 1 1 96 96 THR C C 96 172.729 172.729 172.835 -0.106 18081 8365 1 13 . 1 1 96 96 THR CA C 96 61.322 61.322 60.573 0.749 18081 8366 1 13 . 1 1 96 96 THR CB C 96 70.160 70.160 70.754 -0.594 18081 8367 1 13 . 1 1 96 96 THR H H 96 6.742 6.742 7.741 -0.999 18081 8368 1 13 . 1 1 97 97 PHE N N 97 126.539 126.539 124.781 1.758 18081 8369 1 13 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.637 -0.184 18081 8370 1 13 . 1 1 97 97 PHE C C 97 176.075 176.075 175.563 0.512 18081 8371 1 13 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.032 1.175 18081 8372 1 13 . 1 1 97 97 PHE CB C 97 39.908 39.908 42.132 -2.224 18081 8373 1 13 . 1 1 97 97 PHE H H 97 8.933 8.933 8.696 0.237 18081 8374 1 13 . 1 1 98 98 LYS N N 98 123.417 123.417 119.010 4.407 18081 8375 1 13 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.456 -0.063 18081 8376 1 13 . 1 1 98 98 LYS C C 98 175.939 175.939 175.992 -0.053 18081 8377 1 13 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.126 0.657 18081 8378 1 13 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.864 -0.880 18081 8379 1 13 . 1 1 98 98 LYS H H 98 8.604 8.604 8.500 0.104 18081 8380 1 13 . 1 1 99 99 ARG N N 99 118.424 118.424 120.180 -1.756 18081 8381 1 13 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.709 0.311 18081 8382 1 13 . 1 1 99 99 ARG C C 99 174.332 174.332 173.464 0.868 18081 8383 1 13 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.869 -1.268 18081 8384 1 13 . 1 1 99 99 ARG CB C 99 31.600 31.600 32.062 -0.463 18081 8385 1 13 . 1 1 99 99 ARG H H 99 7.801 7.801 7.927 -0.126 18081 8386 1 13 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.366 0.017 18081 8387 1 13 . 1 1 100 100 PRO C C 100 175.190 175.190 176.627 -1.437 18081 8388 1 13 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.624 -0.056 18081 8389 1 13 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.279 0.310 18081 8390 1 13 . 1 1 101 101 GLY N N 101 108.626 108.626 107.666 0.960 18081 8391 1 13 . 1 1 101 101 GLY C C 101 171.375 171.375 172.133 -0.758 18081 8392 1 13 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.949 -0.846 18081 8393 1 13 . 1 1 101 101 GLY H H 101 8.685 8.685 7.690 0.995 18081 8394 1 13 . 1 1 102 102 GLU N N 102 119.327 119.327 123.076 -3.749 18081 8395 1 13 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.492 0.659 18081 8396 1 13 . 1 1 102 102 GLU C C 102 176.066 176.066 174.935 1.131 18081 8397 1 13 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.005 0.399 18081 8398 1 13 . 1 1 102 102 GLU CB C 102 31.204 31.204 30.958 0.246 18081 8399 1 13 . 1 1 102 102 GLU H H 102 8.144 8.144 8.354 -0.210 18081 8400 1 13 . 1 1 103 103 TYR N N 103 125.807 125.807 120.791 5.016 18081 8401 1 13 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.898 -0.252 18081 8402 1 13 . 1 1 103 103 TYR C C 103 174.711 174.711 173.616 1.095 18081 8403 1 13 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.406 -0.068 18081 8404 1 13 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.686 -0.497 18081 8405 1 13 . 1 1 103 103 TYR H H 103 9.687 9.687 8.495 1.192 18081 8406 1 13 . 1 1 104 104 ARG N N 104 124.463 124.463 120.287 4.176 18081 8407 1 13 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.174 -0.547 18081 8408 1 13 . 1 1 104 104 ARG C C 104 174.570 174.570 175.296 -0.726 18081 8409 1 13 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.354 2.411 18081 8410 1 13 . 1 1 104 104 ARG CB C 104 31.698 31.698 33.416 -1.718 18081 8411 1 13 . 1 1 104 104 ARG H H 104 8.902 8.902 8.207 0.695 18081 8412 1 13 . 1 1 105 105 ILE N N 105 124.589 124.589 119.230 5.359 18081 8413 1 13 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.899 0.470 18081 8414 1 13 . 1 1 105 105 ILE C C 105 175.576 175.576 174.137 1.439 18081 8415 1 13 . 1 1 105 105 ILE CA C 105 59.935 59.935 62.007 -2.072 18081 8416 1 13 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.500 1.311 18081 8417 1 13 . 1 1 105 105 ILE H H 105 8.289 8.289 8.557 -0.268 18081 8418 1 13 . 1 1 106 106 ILE N N 106 121.777 121.777 124.586 -2.809 18081 8419 1 13 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.489 0.549 18081 8420 1 13 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.048 -0.825 18081 8421 1 13 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.122 3.353 18081 8422 1 13 . 1 1 106 106 ILE H H 106 8.765 8.765 8.571 0.194 18081 8423 1 13 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.442 -0.320 18081 8424 1 13 . 1 1 109 109 GLN C C 109 175.724 175.724 174.064 1.660 18081 8425 1 13 . 1 1 109 109 GLN CA C 109 56.472 56.472 55.118 1.354 18081 8426 1 13 . 1 1 109 109 GLN CB C 109 29.128 29.128 29.274 -0.146 18081 8427 1 13 . 1 1 110 110 TYR N N 110 120.856 120.856 120.578 0.278 18081 8428 1 13 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.670 -0.181 18081 8429 1 13 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.290 -0.305 18081 8430 1 13 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.723 -0.796 18081 8431 1 13 . 1 1 110 110 TYR H H 110 8.191 8.191 8.628 -0.437 18081 8432 1 13 . 1 1 111 111 CYS N N 111 120.561 120.561 123.158 -2.597 18081 8433 1 13 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.468 -0.085 18081 8434 1 13 . 1 1 111 111 CYS C C 111 174.692 174.692 174.098 0.594 18081 8435 1 13 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.168 -0.551 18081 8436 1 13 . 1 1 111 111 CYS CB C 111 27.976 27.976 29.562 -1.586 18081 8437 1 13 . 1 1 111 111 CYS H H 111 8.166 8.166 8.752 -0.586 18081 8438 1 13 . 1 1 112 112 GLY N N 112 111.467 111.467 107.592 3.875 18081 8439 1 13 . 1 1 112 112 GLY C C 112 173.900 173.900 173.499 0.401 18081 8440 1 13 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.924 0.221 18081 8441 1 13 . 1 1 112 112 GLY H H 112 8.239 8.239 7.856 0.383 18081 8442 1 13 . 1 1 113 113 LEU N N 113 122.150 122.150 120.021 2.129 18081 8443 1 13 . 1 1 113 113 LEU HA H 113 4.324 4.324 3.899 0.425 18081 8444 1 13 . 1 1 113 113 LEU C C 113 178.068 178.068 177.407 0.661 18081 8445 1 13 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.013 0.705 18081 8446 1 13 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.493 -0.414 18081 8447 1 13 . 1 1 113 113 LEU H H 113 8.179 8.179 7.616 0.563 18081 8448 1 13 . 1 1 114 114 GLY N N 114 109.278 109.278 108.516 0.762 18081 8449 1 13 . 1 1 114 114 GLY C C 114 174.142 174.142 173.662 0.480 18081 8450 1 13 . 1 1 114 114 GLY CA C 114 45.349 45.349 46.242 -0.893 18081 8451 1 13 . 1 1 114 114 GLY H H 114 8.393 8.393 8.699 -0.306 18081 8452 1 13 . 1 1 117 117 ASN N N 117 120.387 120.387 119.679 0.708 18081 8453 1 13 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.695 -0.017 18081 8454 1 13 . 1 1 117 117 ASN C C 117 174.422 174.422 175.900 -1.478 18081 8455 1 13 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.691 -0.512 18081 8456 1 13 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.917 0.098 18081 8457 1 13 . 1 1 117 117 ASN H H 117 8.522 8.522 8.149 0.373 18081 8458 1 13 . 1 1 118 118 MET N N 118 120.526 120.526 123.756 -3.230 18081 8459 1 13 . 1 1 118 118 MET C C 118 173.321 173.321 175.891 -2.570 18081 8460 1 13 . 1 1 118 118 MET CA C 118 55.360 55.360 55.256 0.104 18081 8461 1 13 . 1 1 118 118 MET CB C 118 34.467 34.467 33.053 1.414 18081 8462 1 13 . 1 1 118 118 MET H H 118 7.981 7.981 8.525 -0.544 18081 8463 1 13 . 1 1 119 119 PHE N N 119 119.704 119.704 118.031 1.673 18081 8464 1 13 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.691 1.131 18081 8465 1 13 . 1 1 119 119 PHE C C 119 174.894 174.894 176.573 -1.679 18081 8466 1 13 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.596 -1.480 18081 8467 1 13 . 1 1 119 119 PHE CB C 119 42.377 42.377 40.110 2.267 18081 8468 1 13 . 1 1 119 119 PHE H H 119 8.068 8.068 8.194 -0.126 18081 8469 1 13 . 1 1 120 120 GLY N N 120 109.869 109.869 110.885 -1.016 18081 8470 1 13 . 1 1 120 120 GLY C C 120 172.817 172.817 174.218 -1.401 18081 8471 1 13 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.184 0.097 18081 8472 1 13 . 1 1 120 120 GLY H H 120 8.984 8.984 8.846 0.138 18081 8473 1 13 . 1 1 121 121 THR N N 121 115.820 115.820 121.269 -5.449 18081 8474 1 13 . 1 1 121 121 THR HA H 121 5.068 5.068 4.169 0.899 18081 8475 1 13 . 1 1 121 121 THR C C 121 173.062 173.062 173.559 -0.497 18081 8476 1 13 . 1 1 121 121 THR CA C 121 62.745 62.745 64.559 -1.814 18081 8477 1 13 . 1 1 121 121 THR CB C 121 72.533 72.533 69.284 3.249 18081 8478 1 13 . 1 1 121 121 THR H H 121 8.123 8.123 7.808 0.315 18081 8479 1 13 . 1 1 122 122 ILE N N 122 127.420 127.420 126.896 0.524 18081 8480 1 13 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.259 0.576 18081 8481 1 13 . 1 1 122 122 ILE C C 122 174.260 174.260 173.224 1.036 18081 8482 1 13 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.590 -0.513 18081 8483 1 13 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.807 -2.408 18081 8484 1 13 . 1 1 122 122 ILE H H 122 9.152 9.152 8.654 0.498 18081 8485 1 13 . 1 1 123 123 VAL N N 123 130.032 130.032 125.319 4.713 18081 8486 1 13 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.089 0.290 18081 8487 1 13 . 1 1 123 123 VAL C C 123 174.012 174.012 173.305 0.707 18081 8488 1 13 . 1 1 123 123 VAL CA C 123 61.811 61.811 60.309 1.502 18081 8489 1 13 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.417 -2.137 18081 8490 1 13 . 1 1 123 123 VAL H H 123 9.601 9.601 8.170 1.431 18081 8491 1 13 . 1 1 124 124 VAL N N 124 128.765 128.765 128.988 -0.223 18081 8492 1 13 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.463 0.236 18081 8493 1 13 . 1 1 124 124 VAL C C 124 177.239 177.239 175.125 2.114 18081 8494 1 13 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.017 -0.452 18081 8495 1 13 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.946 -1.643 18081 8496 1 13 . 1 1 124 124 VAL H H 124 9.056 9.056 7.886 1.170 18081 8497 1 13 . 1 1 125 125 LYS N N 125 129.953 129.953 127.269 2.684 18081 8498 1 13 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.642 -0.301 18081 8499 1 13 . 1 1 125 125 LYS C C 125 175.317 175.317 176.375 -1.058 18081 8500 1 13 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.898 1.550 18081 8501 1 13 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.147 0.430 18081 8502 1 13 . 1 1 125 125 LYS H H 125 8.854 8.854 8.619 0.235 18081 8503 1 14 . 1 1 2 2 VAL N N 2 126.137 126.137 123.082 3.055 18081 8504 1 14 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.142 -0.116 18081 8505 1 14 . 1 1 2 2 VAL C C 2 176.484 176.484 175.223 1.261 18081 8506 1 14 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.526 0.042 18081 8507 1 14 . 1 1 2 2 VAL CB C 2 32.391 32.391 30.423 1.968 18081 8508 1 14 . 1 1 2 2 VAL H H 2 8.035 8.035 8.233 -0.198 18081 8509 1 14 . 1 1 3 3 ILE N N 3 124.059 124.059 125.537 -1.478 18081 8510 1 14 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.671 -0.176 18081 8511 1 14 . 1 1 3 3 ILE C C 3 174.606 174.606 174.930 -0.324 18081 8512 1 14 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.384 0.001 18081 8513 1 14 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.872 0.649 18081 8514 1 14 . 1 1 3 3 ILE H H 3 7.856 7.856 7.728 0.128 18081 8515 1 14 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.450 -0.077 18081 8516 1 14 . 1 1 4 4 PRO C C 4 176.585 176.585 175.580 1.005 18081 8517 1 14 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.804 0.386 18081 8518 1 14 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.193 -0.229 18081 8519 1 14 . 1 1 5 5 ALA N N 5 125.371 125.371 121.176 4.195 18081 8520 1 14 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.320 -0.033 18081 8521 1 14 . 1 1 5 5 ALA C C 5 178.454 178.454 177.618 0.836 18081 8522 1 14 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.618 0.117 18081 8523 1 14 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.123 -0.080 18081 8524 1 14 . 1 1 5 5 ALA H H 5 8.458 8.458 8.260 0.198 18081 8525 1 14 . 1 1 6 6 GLY N N 6 108.626 108.626 108.221 0.405 18081 8526 1 14 . 1 1 6 6 GLY C C 6 173.996 173.996 174.135 -0.139 18081 8527 1 14 . 1 1 6 6 GLY CA C 6 45.171 45.171 44.928 0.243 18081 8528 1 14 . 1 1 6 6 GLY H H 6 8.378 8.378 8.264 0.114 18081 8529 1 14 . 1 1 7 7 LYS N N 7 121.320 121.320 119.563 1.757 18081 8530 1 14 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.599 -0.270 18081 8531 1 14 . 1 1 7 7 LYS C C 7 176.362 176.362 176.457 -0.095 18081 8532 1 14 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.466 0.650 18081 8533 1 14 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.149 -1.165 18081 8534 1 14 . 1 1 7 7 LYS H H 7 7.976 7.976 7.622 0.354 18081 8535 1 14 . 1 1 8 8 LEU N N 8 124.548 124.548 117.532 7.016 18081 8536 1 14 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.379 0.012 18081 8537 1 14 . 1 1 8 8 LEU C C 8 176.772 176.772 177.083 -0.311 18081 8538 1 14 . 1 1 8 8 LEU CA C 8 55.182 55.182 54.816 0.367 18081 8539 1 14 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.282 0.193 18081 8540 1 14 . 1 1 8 8 LEU H H 8 8.283 8.283 8.242 0.041 18081 8541 1 14 . 1 1 9 9 GLU N N 9 124.888 124.888 119.503 5.385 18081 8542 1 14 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.201 0.189 18081 8543 1 14 . 1 1 9 9 GLU C C 9 174.919 174.919 175.836 -0.917 18081 8544 1 14 . 1 1 9 9 GLU CA C 9 56.472 56.472 57.439 -0.967 18081 8545 1 14 . 1 1 9 9 GLU CB C 9 30.611 30.611 30.050 0.561 18081 8546 1 14 . 1 1 9 9 GLU H H 9 8.679 8.679 8.716 -0.037 18081 8547 1 14 . 1 1 10 10 ARG N N 10 123.557 123.557 122.758 0.799 18081 8548 1 14 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.467 0.505 18081 8549 1 14 . 1 1 10 10 ARG C C 10 175.727 175.727 175.491 0.236 18081 8550 1 14 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.673 -0.589 18081 8551 1 14 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.836 0.709 18081 8552 1 14 . 1 1 10 10 ARG H H 10 8.248 8.248 8.461 -0.213 18081 8553 1 14 . 1 1 11 11 VAL N N 11 118.077 118.077 118.843 -0.766 18081 8554 1 14 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.581 -0.201 18081 8555 1 14 . 1 1 11 11 VAL C C 11 173.297 173.297 174.031 -0.734 18081 8556 1 14 . 1 1 11 11 VAL CA C 11 59.586 59.586 58.927 0.659 18081 8557 1 14 . 1 1 11 11 VAL CB C 11 34.763 34.763 35.428 -0.665 18081 8558 1 14 . 1 1 11 11 VAL H H 11 8.039 8.039 8.389 -0.350 18081 8559 1 14 . 1 1 12 12 ASP N N 12 123.786 123.786 114.838 8.948 18081 8560 1 14 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.926 0.025 18081 8561 1 14 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.031 -0.432 18081 8562 1 14 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.819 -0.431 18081 8563 1 14 . 1 1 12 12 ASP H H 12 8.313 8.313 7.967 0.346 18081 8564 1 14 . 1 1 13 13 PRO C C 13 177.705 177.705 177.419 0.286 18081 8565 1 14 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.064 0.675 18081 8566 1 14 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.809 -0.187 18081 8567 1 14 . 1 1 14 14 THR N N 14 109.188 109.188 115.225 -6.037 18081 8568 1 14 . 1 1 14 14 THR HA H 14 4.252 4.252 4.092 0.160 18081 8569 1 14 . 1 1 14 14 THR C C 14 176.733 176.733 175.549 1.184 18081 8570 1 14 . 1 1 14 14 THR CA C 14 63.996 63.996 65.312 -1.317 18081 8571 1 14 . 1 1 14 14 THR CB C 14 69.270 69.270 68.820 0.449 18081 8572 1 14 . 1 1 14 14 THR H H 14 8.413 8.413 8.188 0.225 18081 8573 1 14 . 1 1 15 15 THR N N 15 108.904 108.904 111.159 -2.255 18081 8574 1 14 . 1 1 15 15 THR HA H 15 4.733 4.733 4.499 0.234 18081 8575 1 14 . 1 1 15 15 THR C C 15 177.174 177.174 174.310 2.864 18081 8576 1 14 . 1 1 15 15 THR CA C 15 61.589 61.589 61.569 0.020 18081 8577 1 14 . 1 1 15 15 THR CB C 15 70.654 70.654 69.224 1.430 18081 8578 1 14 . 1 1 15 15 THR H H 15 7.413 7.413 7.816 -0.403 18081 8579 1 14 . 1 1 16 16 VAL N N 16 122.387 122.387 123.649 -1.262 18081 8580 1 14 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.800 0.398 18081 8581 1 14 . 1 1 16 16 VAL C C 16 175.683 175.683 175.287 0.396 18081 8582 1 14 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.318 -0.866 18081 8583 1 14 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.151 -0.650 18081 8584 1 14 . 1 1 16 16 VAL H H 16 7.143 7.143 7.283 -0.140 18081 8585 1 14 . 1 1 17 17 ARG N N 17 115.917 115.917 115.996 -0.079 18081 8586 1 14 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.353 -0.082 18081 8587 1 14 . 1 1 17 17 ARG C C 17 175.861 175.861 178.069 -2.208 18081 8588 1 14 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.553 -0.503 18081 8589 1 14 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.544 0.482 18081 8590 1 14 . 1 1 17 17 ARG H H 17 8.227 8.227 8.234 -0.007 18081 8591 1 14 . 1 1 18 18 GLN N N 18 117.044 117.044 117.784 -0.740 18081 8592 1 14 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.368 0.031 18081 8593 1 14 . 1 1 18 18 GLN C C 18 175.506 175.506 175.418 0.088 18081 8594 1 14 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.964 0.175 18081 8595 1 14 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.606 1.203 18081 8596 1 14 . 1 1 18 18 GLN H H 18 7.765 7.765 7.988 -0.223 18081 8597 1 14 . 1 1 19 19 GLU N N 19 118.659 118.659 119.095 -0.436 18081 8598 1 14 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.413 0.146 18081 8599 1 14 . 1 1 19 19 GLU C C 19 175.081 175.081 175.279 -0.198 18081 8600 1 14 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.680 -0.498 18081 8601 1 14 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.664 0.727 18081 8602 1 14 . 1 1 19 19 GLU H H 19 8.070 8.070 8.115 -0.045 18081 8603 1 14 . 1 1 20 20 GLY N N 20 113.694 113.694 112.896 0.798 18081 8604 1 14 . 1 1 20 20 GLY C C 20 174.150 174.150 172.387 1.763 18081 8605 1 14 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.802 -0.254 18081 8606 1 14 . 1 1 20 20 GLY H H 20 8.933 8.933 8.132 0.801 18081 8607 1 14 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.179 -0.506 18081 8608 1 14 . 1 1 21 21 PRO C C 21 176.703 176.703 176.633 0.070 18081 8609 1 14 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.582 0.299 18081 8610 1 14 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.099 -1.062 18081 8611 1 14 . 1 1 22 22 TRP N N 22 117.898 117.898 115.844 2.054 18081 8612 1 14 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.701 -0.386 18081 8613 1 14 . 1 1 22 22 TRP C C 22 174.965 174.965 176.632 -1.667 18081 8614 1 14 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.879 2.642 18081 8615 1 14 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.842 0.429 18081 8616 1 14 . 1 1 22 22 TRP H H 22 8.759 8.759 8.205 0.554 18081 8617 1 14 . 1 1 23 23 ALA N N 23 120.887 120.887 121.890 -1.003 18081 8618 1 14 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.483 -0.559 18081 8619 1 14 . 1 1 23 23 ALA C C 23 177.520 177.520 178.307 -0.787 18081 8620 1 14 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.122 1.659 18081 8621 1 14 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.574 -1.026 18081 8622 1 14 . 1 1 23 23 ALA H H 23 7.232 7.232 7.055 0.177 18081 8623 1 14 . 1 1 24 24 ASP N N 24 115.176 115.176 118.189 -3.013 18081 8624 1 14 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.071 0.115 18081 8625 1 14 . 1 1 24 24 ASP C C 24 176.860 176.860 176.121 0.739 18081 8626 1 14 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.775 -2.155 18081 8627 1 14 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.204 -0.717 18081 8628 1 14 . 1 1 24 24 ASP H H 24 7.718 7.718 7.529 0.189 18081 8629 1 14 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.362 -0.063 18081 8630 1 14 . 1 1 25 25 PRO C C 25 177.445 177.445 177.668 -0.223 18081 8631 1 14 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.661 -0.180 18081 8632 1 14 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.081 -0.185 18081 8633 1 14 . 1 1 26 26 ALA N N 26 120.150 120.150 119.842 0.308 18081 8634 1 14 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.237 0.068 18081 8635 1 14 . 1 1 26 26 ALA C C 26 179.061 179.061 178.200 0.861 18081 8636 1 14 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.680 0.167 18081 8637 1 14 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.204 0.048 18081 8638 1 14 . 1 1 26 26 ALA H H 26 8.158 8.158 8.219 -0.061 18081 8639 1 14 . 1 1 27 27 GLN N N 27 117.617 117.617 116.653 0.964 18081 8640 1 14 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.319 0.376 18081 8641 1 14 . 1 1 27 27 GLN C C 27 175.309 175.309 176.327 -1.018 18081 8642 1 14 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.562 -1.304 18081 8643 1 14 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.386 0.346 18081 8644 1 14 . 1 1 27 27 GLN H H 27 7.732 7.732 7.506 0.226 18081 8645 1 14 . 1 1 28 28 ALA N N 28 122.069 122.069 122.688 -0.619 18081 8646 1 14 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.315 0.066 18081 8647 1 14 . 1 1 28 28 ALA C C 28 176.358 176.358 177.944 -1.586 18081 8648 1 14 . 1 1 28 28 ALA CA C 28 55.582 55.582 53.862 1.720 18081 8649 1 14 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.498 1.423 18081 8650 1 14 . 1 1 28 28 ALA H H 28 6.996 6.996 7.289 -0.293 18081 8651 1 14 . 1 1 29 29 VAL N N 29 114.478 114.478 119.794 -5.316 18081 8652 1 14 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.506 0.201 18081 8653 1 14 . 1 1 29 29 VAL C C 29 176.252 176.252 175.688 0.564 18081 8654 1 14 . 1 1 29 29 VAL CA C 29 61.989 61.989 63.280 -1.291 18081 8655 1 14 . 1 1 29 29 VAL CB C 29 31.600 31.600 30.954 0.646 18081 8656 1 14 . 1 1 29 29 VAL H H 29 7.868 7.868 8.050 -0.182 18081 8657 1 14 . 1 1 30 30 VAL N N 30 129.718 129.718 126.605 3.113 18081 8658 1 14 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.437 -0.050 18081 8659 1 14 . 1 1 30 30 VAL C C 30 175.107 175.107 175.006 0.101 18081 8660 1 14 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.779 -0.036 18081 8661 1 14 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.996 -0.738 18081 8662 1 14 . 1 1 30 30 VAL H H 30 9.556 9.556 8.638 0.918 18081 8663 1 14 . 1 1 31 31 GLN N N 31 129.372 129.372 127.245 2.127 18081 8664 1 14 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.157 -0.016 18081 8665 1 14 . 1 1 31 31 GLN C C 31 176.413 176.413 175.618 0.795 18081 8666 1 14 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.288 -0.238 18081 8667 1 14 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.718 -1.667 18081 8668 1 14 . 1 1 31 31 GLN H H 31 9.153 9.153 8.821 0.332 18081 8669 1 14 . 1 1 32 32 THR N N 32 119.775 119.775 120.065 -0.290 18081 8670 1 14 . 1 1 32 32 THR HA H 32 4.392 4.392 4.517 -0.125 18081 8671 1 14 . 1 1 32 32 THR C C 32 174.102 174.102 174.477 -0.375 18081 8672 1 14 . 1 1 32 32 THR CA C 32 61.678 61.678 61.630 0.048 18081 8673 1 14 . 1 1 32 32 THR CB C 32 68.775 68.775 69.926 -1.151 18081 8674 1 14 . 1 1 32 32 THR H H 32 8.266 8.266 8.108 0.158 18081 8675 1 14 . 1 1 33 33 GLY N N 33 111.761 111.761 109.603 2.158 18081 8676 1 14 . 1 1 33 33 GLY C C 33 170.586 170.586 172.669 -2.083 18081 8677 1 14 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.379 1.703 18081 8678 1 14 . 1 1 33 33 GLY H H 33 7.997 7.997 7.519 0.478 18081 8679 1 14 . 1 1 34 34 PRO C C 34 176.674 176.674 176.264 0.410 18081 8680 1 14 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.385 0.496 18081 8681 1 14 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.542 -1.181 18081 8682 1 14 . 1 1 35 35 ASN N N 35 117.681 117.681 113.750 3.931 18081 8683 1 14 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.662 0.192 18081 8684 1 14 . 1 1 35 35 ASN C C 35 173.262 173.262 173.025 0.237 18081 8685 1 14 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.659 -0.536 18081 8686 1 14 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.449 0.307 18081 8687 1 14 . 1 1 35 35 ASN H H 35 8.649 8.649 8.308 0.341 18081 8688 1 14 . 1 1 36 36 GLN N N 36 119.276 119.276 117.071 2.205 18081 8689 1 14 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.959 0.608 18081 8690 1 14 . 1 1 36 36 GLN C C 36 173.292 173.292 173.960 -0.668 18081 8691 1 14 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.184 0.419 18081 8692 1 14 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.670 3.204 18081 8693 1 14 . 1 1 36 36 GLN H H 36 6.953 6.953 7.490 -0.537 18081 8694 1 14 . 1 1 37 37 TYR N N 37 125.339 125.339 124.475 0.864 18081 8695 1 14 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.651 0.413 18081 8696 1 14 . 1 1 37 37 TYR C C 37 174.321 174.321 175.609 -1.288 18081 8697 1 14 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.795 -0.323 18081 8698 1 14 . 1 1 37 37 TYR CB C 37 40.696 40.696 40.002 0.694 18081 8699 1 14 . 1 1 37 37 TYR H H 37 8.898 8.898 8.457 0.441 18081 8700 1 14 . 1 1 38 38 THR N N 38 121.935 121.935 119.590 2.345 18081 8701 1 14 . 1 1 38 38 THR HA H 38 5.098 5.098 4.467 0.631 18081 8702 1 14 . 1 1 38 38 THR C C 38 172.253 172.253 173.751 -1.498 18081 8703 1 14 . 1 1 38 38 THR CA C 38 61.589 61.589 62.442 -0.853 18081 8704 1 14 . 1 1 38 38 THR CB C 38 69.764 69.764 68.873 0.891 18081 8705 1 14 . 1 1 38 38 THR H H 38 9.592 9.592 8.913 0.679 18081 8706 1 14 . 1 1 39 39 VAL N N 39 126.189 126.189 127.836 -1.647 18081 8707 1 14 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.201 0.900 18081 8708 1 14 . 1 1 39 39 VAL C C 39 174.612 174.612 173.966 0.646 18081 8709 1 14 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.441 -1.810 18081 8710 1 14 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.105 1.966 18081 8711 1 14 . 1 1 39 39 VAL H H 39 8.710 8.710 8.098 0.612 18081 8712 1 14 . 1 1 40 40 TYR N N 40 130.243 130.243 128.014 2.229 18081 8713 1 14 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.808 -0.167 18081 8714 1 14 . 1 1 40 40 TYR C C 40 174.840 174.840 175.986 -1.146 18081 8715 1 14 . 1 1 40 40 TYR CA C 40 58.652 58.652 57.732 0.920 18081 8716 1 14 . 1 1 40 40 TYR CB C 40 36.840 36.840 38.052 -1.212 18081 8717 1 14 . 1 1 40 40 TYR H H 40 9.139 9.139 7.771 1.368 18081 8718 1 14 . 1 1 41 41 VAL N N 41 124.415 124.415 125.982 -1.567 18081 8719 1 14 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.517 0.823 18081 8720 1 14 . 1 1 41 41 VAL C C 41 175.680 175.680 174.894 0.786 18081 8721 1 14 . 1 1 41 41 VAL CA C 41 60.254 60.254 60.965 -0.711 18081 8722 1 14 . 1 1 41 41 VAL CB C 41 34.862 34.862 33.478 1.384 18081 8723 1 14 . 1 1 41 41 VAL H H 41 8.686 8.686 9.263 -0.577 18081 8724 1 14 . 1 1 42 42 LEU N N 42 129.148 129.148 130.227 -1.079 18081 8725 1 14 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.853 0.293 18081 8726 1 14 . 1 1 42 42 LEU C C 42 175.161 175.161 175.211 -0.050 18081 8727 1 14 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.635 -0.856 18081 8728 1 14 . 1 1 42 42 LEU CB C 42 45.639 45.639 45.030 0.609 18081 8729 1 14 . 1 1 42 42 LEU H H 42 9.694 9.694 8.829 0.865 18081 8730 1 14 . 1 1 43 43 ALA N N 43 130.434 130.434 128.580 1.854 18081 8731 1 14 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.690 0.032 18081 8732 1 14 . 1 1 43 43 ALA C C 43 173.292 173.292 174.566 -1.274 18081 8733 1 14 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.980 -1.826 18081 8734 1 14 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.869 -1.739 18081 8735 1 14 . 1 1 43 43 ALA H H 43 8.679 8.679 8.279 0.400 18081 8736 1 14 . 1 1 44 44 PHE N N 44 118.472 118.472 118.418 0.054 18081 8737 1 14 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.884 0.325 18081 8738 1 14 . 1 1 44 44 PHE C C 44 172.698 172.698 174.058 -1.360 18081 8739 1 14 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.118 -1.993 18081 8740 1 14 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.700 1.973 18081 8741 1 14 . 1 1 44 44 PHE H H 44 7.756 7.756 8.026 -0.270 18081 8742 1 14 . 1 1 45 45 ALA N N 45 122.901 122.901 122.577 0.324 18081 8743 1 14 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.189 -0.776 18081 8744 1 14 . 1 1 45 45 ALA C C 45 177.267 177.267 177.058 0.209 18081 8745 1 14 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.523 -6.240 18081 8746 1 14 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.761 -2.981 18081 8747 1 14 . 1 1 45 45 ALA H H 45 9.739 9.739 8.615 1.124 18081 8748 1 14 . 1 1 46 46 PHE N N 46 128.515 128.515 118.729 9.786 18081 8749 1 14 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.689 0.531 18081 8750 1 14 . 1 1 46 46 PHE C C 46 173.387 173.387 175.599 -2.212 18081 8751 1 14 . 1 1 46 46 PHE CA C 46 60.031 60.031 57.054 2.977 18081 8752 1 14 . 1 1 46 46 PHE CB C 46 40.399 40.399 39.154 1.245 18081 8753 1 14 . 1 1 46 46 PHE H H 46 7.994 7.994 8.258 -0.264 18081 8754 1 14 . 1 1 47 47 GLY N N 47 113.741 113.741 107.213 6.528 18081 8755 1 14 . 1 1 47 47 GLY C C 47 167.774 167.774 171.890 -4.116 18081 8756 1 14 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.848 0.387 18081 8757 1 14 . 1 1 47 47 GLY H H 47 7.796 7.796 7.353 0.443 18081 8758 1 14 . 1 1 48 48 TYR N N 48 119.637 119.637 119.099 0.538 18081 8759 1 14 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.613 0.725 18081 8760 1 14 . 1 1 48 48 TYR C C 48 175.042 175.042 173.652 1.390 18081 8761 1 14 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.707 -1.413 18081 8762 1 14 . 1 1 48 48 TYR CB C 48 41.962 41.962 41.284 0.678 18081 8763 1 14 . 1 1 48 48 TYR H H 48 8.370 8.370 8.375 -0.005 18081 8764 1 14 . 1 1 49 49 GLN N N 49 121.776 121.776 122.014 -0.238 18081 8765 1 14 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.898 -0.081 18081 8766 1 14 . 1 1 49 49 GLN CA C 49 52.334 52.334 54.196 -1.862 18081 8767 1 14 . 1 1 49 49 GLN CB C 49 33.874 33.874 31.241 2.633 18081 8768 1 14 . 1 1 49 49 GLN H H 49 9.163 9.163 8.624 0.539 18081 8769 1 14 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.685 0.057 18081 8770 1 14 . 1 1 50 50 PRO C C 50 174.271 174.271 175.879 -1.608 18081 8771 1 14 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.926 -0.136 18081 8772 1 14 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.344 2.321 18081 8773 1 14 . 1 1 51 51 ASN N N 51 113.755 113.755 115.521 -1.766 18081 8774 1 14 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.044 0.036 18081 8775 1 14 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.917 -0.918 18081 8776 1 14 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.655 2.041 18081 8777 1 14 . 1 1 51 51 ASN H H 51 8.229 8.229 8.464 -0.235 18081 8778 1 14 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.489 0.782 18081 8779 1 14 . 1 1 52 52 PRO C C 52 176.525 176.525 175.803 0.722 18081 8780 1 14 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.891 0.700 18081 8781 1 14 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.221 4.686 18081 8782 1 14 . 1 1 53 53 ILE N N 53 120.452 120.452 123.583 -3.131 18081 8783 1 14 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.248 -0.182 18081 8784 1 14 . 1 1 53 53 ILE C C 53 174.236 174.236 175.048 -0.812 18081 8785 1 14 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.571 0.929 18081 8786 1 14 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.657 -0.752 18081 8787 1 14 . 1 1 53 53 ILE H H 53 8.321 8.321 8.165 0.156 18081 8788 1 14 . 1 1 54 54 GLU N N 54 129.279 129.279 127.201 2.078 18081 8789 1 14 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.721 0.746 18081 8790 1 14 . 1 1 54 54 GLU C C 54 175.598 175.598 175.109 0.489 18081 8791 1 14 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.958 0.046 18081 8792 1 14 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.543 -1.636 18081 8793 1 14 . 1 1 54 54 GLU H H 54 8.458 8.458 8.471 -0.013 18081 8794 1 14 . 1 1 55 55 VAL N N 55 115.767 115.767 125.515 -9.748 18081 8795 1 14 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.510 0.146 18081 8796 1 14 . 1 1 55 55 VAL C C 55 172.453 172.453 173.869 -1.416 18081 8797 1 14 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.096 -2.357 18081 8798 1 14 . 1 1 55 55 VAL CB C 55 33.972 33.972 32.839 1.133 18081 8799 1 14 . 1 1 55 55 VAL H H 55 8.492 8.492 8.232 0.260 18081 8800 1 14 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.551 0.116 18081 8801 1 14 . 1 1 56 56 PRO C C 56 177.445 177.445 177.269 0.176 18081 8802 1 14 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.205 -0.527 18081 8803 1 14 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.530 0.465 18081 8804 1 14 . 1 1 57 57 GLN N N 57 122.020 122.020 124.408 -2.388 18081 8805 1 14 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.104 -0.214 18081 8806 1 14 . 1 1 57 57 GLN C C 57 176.735 176.735 176.908 -0.173 18081 8807 1 14 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.133 0.739 18081 8808 1 14 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.771 -0.929 18081 8809 1 14 . 1 1 57 57 GLN H H 57 8.466 8.466 8.171 0.295 18081 8810 1 14 . 1 1 58 58 GLY N N 58 112.805 112.805 109.654 3.151 18081 8811 1 14 . 1 1 58 58 GLY C C 58 172.686 172.686 173.399 -0.713 18081 8812 1 14 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.917 1.455 18081 8813 1 14 . 1 1 58 58 GLY H H 58 8.713 8.713 8.434 0.279 18081 8814 1 14 . 1 1 59 59 ALA N N 59 122.839 122.839 122.215 0.624 18081 8815 1 14 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.527 0.024 18081 8816 1 14 . 1 1 59 59 ALA C C 59 176.659 176.659 175.172 1.487 18081 8817 1 14 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.825 -0.093 18081 8818 1 14 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.843 -1.119 18081 8819 1 14 . 1 1 59 59 ALA H H 59 6.982 6.982 7.304 -0.322 18081 8820 1 14 . 1 1 60 60 GLU N N 60 123.390 123.390 118.949 4.441 18081 8821 1 14 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.287 0.020 18081 8822 1 14 . 1 1 60 60 GLU C C 60 173.876 173.876 175.484 -1.608 18081 8823 1 14 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.921 -0.093 18081 8824 1 14 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.792 -0.478 18081 8825 1 14 . 1 1 60 60 GLU H H 60 8.260 8.260 8.126 0.134 18081 8826 1 14 . 1 1 61 61 ILE N N 61 130.883 130.883 121.977 8.906 18081 8827 1 14 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.509 0.313 18081 8828 1 14 . 1 1 61 61 ILE C C 61 175.267 175.267 175.178 0.089 18081 8829 1 14 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.513 -1.090 18081 8830 1 14 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.996 -3.244 18081 8831 1 14 . 1 1 61 61 ILE H H 61 9.103 9.103 8.316 0.787 18081 8832 1 14 . 1 1 62 62 VAL N N 62 127.879 127.879 124.628 3.251 18081 8833 1 14 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.082 -0.734 18081 8834 1 14 . 1 1 62 62 VAL C C 62 175.598 175.598 175.627 -0.029 18081 8835 1 14 . 1 1 62 62 VAL CA C 62 60.743 60.743 59.214 1.529 18081 8836 1 14 . 1 1 62 62 VAL CB C 62 31.204 31.204 30.584 0.620 18081 8837 1 14 . 1 1 62 62 VAL H H 62 8.992 8.992 8.106 0.886 18081 8838 1 14 . 1 1 63 63 PHE N N 63 125.354 125.354 128.794 -3.440 18081 8839 1 14 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.691 0.302 18081 8840 1 14 . 1 1 63 63 PHE C C 63 175.507 175.507 175.718 -0.211 18081 8841 1 14 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.331 -1.524 18081 8842 1 14 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.094 -0.486 18081 8843 1 14 . 1 1 63 63 PHE H H 63 9.521 9.521 8.391 1.130 18081 8844 1 14 . 1 1 64 64 LYS N N 64 123.471 123.471 122.328 1.143 18081 8845 1 14 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.376 -0.283 18081 8846 1 14 . 1 1 64 64 LYS C C 64 175.877 175.877 175.646 0.231 18081 8847 1 14 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.405 -1.024 18081 8848 1 14 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.109 -1.040 18081 8849 1 14 . 1 1 64 64 LYS H H 64 8.977 8.977 9.127 -0.150 18081 8850 1 14 . 1 1 65 65 ILE N N 65 125.792 125.792 125.495 0.297 18081 8851 1 14 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.228 0.575 18081 8852 1 14 . 1 1 65 65 ILE C C 65 175.724 175.724 175.470 0.254 18081 8853 1 14 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.244 -0.480 18081 8854 1 14 . 1 1 65 65 ILE CB C 65 41.388 41.388 41.099 0.289 18081 8855 1 14 . 1 1 65 65 ILE H H 65 9.390 9.390 8.446 0.944 18081 8856 1 14 . 1 1 66 66 THR N N 66 119.455 119.455 120.553 -1.098 18081 8857 1 14 . 1 1 66 66 THR HA H 66 4.583 4.583 4.572 0.011 18081 8858 1 14 . 1 1 66 66 THR C C 66 170.978 170.978 172.530 -1.552 18081 8859 1 14 . 1 1 66 66 THR CA C 66 61.233 61.233 61.171 0.062 18081 8860 1 14 . 1 1 66 66 THR CB C 66 70.456 70.456 69.269 1.187 18081 8861 1 14 . 1 1 66 66 THR H H 66 8.176 8.176 8.076 0.100 18081 8862 1 14 . 1 1 67 67 SER N N 67 115.523 115.523 123.083 -7.560 18081 8863 1 14 . 1 1 67 67 SER HA H 67 6.316 6.316 5.256 1.060 18081 8864 1 14 . 1 1 67 67 SER C C 67 174.516 174.516 173.037 1.479 18081 8865 1 14 . 1 1 67 67 SER CA C 67 51.222 51.222 55.041 -3.818 18081 8866 1 14 . 1 1 67 67 SER CB C 67 66.501 66.501 65.894 0.607 18081 8867 1 14 . 1 1 67 67 SER H H 67 7.190 7.190 8.363 -1.173 18081 8868 1 14 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.249 0.579 18081 8869 1 14 . 1 1 68 68 PRO C C 68 174.360 174.360 175.631 -1.271 18081 8870 1 14 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.438 -1.870 18081 8871 1 14 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.987 0.502 18081 8872 1 14 . 1 1 69 69 ASP N N 69 120.505 120.505 117.560 2.945 18081 8873 1 14 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.874 -0.126 18081 8874 1 14 . 1 1 69 69 ASP C C 69 173.775 173.775 174.313 -0.538 18081 8875 1 14 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.726 1.723 18081 8876 1 14 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.940 1.041 18081 8877 1 14 . 1 1 69 69 ASP H H 69 8.594 8.594 8.385 0.209 18081 8878 1 14 . 1 1 70 70 VAL N N 70 120.074 120.074 116.389 3.685 18081 8879 1 14 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.380 0.194 18081 8880 1 14 . 1 1 70 70 VAL C C 70 174.866 174.866 174.687 0.179 18081 8881 1 14 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.531 -1.300 18081 8882 1 14 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.917 0.143 18081 8883 1 14 . 1 1 70 70 VAL H H 70 10.855 10.855 7.645 3.210 18081 8884 1 14 . 1 1 71 71 ILE N N 71 121.272 121.272 122.152 -0.880 18081 8885 1 14 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.397 0.041 18081 8886 1 14 . 1 1 71 71 ILE CA C 71 62.434 62.434 59.917 2.517 18081 8887 1 14 . 1 1 71 71 ILE CB C 71 38.521 38.521 38.878 -0.357 18081 8888 1 14 . 1 1 71 71 ILE H H 71 7.670 7.670 8.201 -0.531 18081 8889 1 14 . 1 1 73 73 GLY C C 73 172.580 172.580 172.423 0.157 18081 8890 1 14 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.074 -0.660 18081 8891 1 14 . 1 1 74 74 PHE N N 74 123.714 123.714 117.411 6.303 18081 8892 1 14 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.099 -0.814 18081 8893 1 14 . 1 1 74 74 PHE C C 74 171.502 171.502 173.415 -1.913 18081 8894 1 14 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.726 2.971 18081 8895 1 14 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.928 -0.133 18081 8896 1 14 . 1 1 74 74 PHE H H 74 8.712 8.712 7.176 1.536 18081 8897 1 14 . 1 1 75 75 HIS N N 75 124.835 124.835 118.921 5.914 18081 8898 1 14 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.913 0.545 18081 8899 1 14 . 1 1 75 75 HIS C C 75 172.817 172.817 173.387 -0.570 18081 8900 1 14 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.767 -2.344 18081 8901 1 14 . 1 1 75 75 HIS CB C 75 29.523 29.523 32.223 -2.700 18081 8902 1 14 . 1 1 75 75 HIS H H 75 7.786 7.786 8.699 -0.913 18081 8903 1 14 . 1 1 76 76 VAL N N 76 124.569 124.569 121.434 3.135 18081 8904 1 14 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.815 0.478 18081 8905 1 14 . 1 1 76 76 VAL C C 76 175.843 175.843 174.458 1.385 18081 8906 1 14 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.577 1.123 18081 8907 1 14 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.734 -4.366 18081 8908 1 14 . 1 1 76 76 VAL H H 76 6.558 6.558 8.212 -1.654 18081 8909 1 14 . 1 1 77 77 GLU N N 77 132.091 132.091 125.118 6.973 18081 8910 1 14 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.248 -0.359 18081 8911 1 14 . 1 1 77 77 GLU C C 77 176.941 176.941 177.700 -0.759 18081 8912 1 14 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.257 1.440 18081 8913 1 14 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.173 0.042 18081 8914 1 14 . 1 1 77 77 GLU H H 77 8.977 8.977 8.137 0.840 18081 8915 1 14 . 1 1 78 78 GLY N N 78 111.143 111.143 109.692 1.451 18081 8916 1 14 . 1 1 78 78 GLY C C 78 174.152 174.152 174.362 -0.210 18081 8917 1 14 . 1 1 78 78 GLY CA C 78 45.260 45.260 46.157 -0.897 18081 8918 1 14 . 1 1 78 78 GLY H H 78 8.052 8.052 8.810 -0.758 18081 8919 1 14 . 1 1 79 79 THR N N 79 109.705 109.705 117.871 -8.166 18081 8920 1 14 . 1 1 79 79 THR HA H 79 4.949 4.949 4.537 0.412 18081 8921 1 14 . 1 1 79 79 THR C C 79 173.397 173.397 173.953 -0.556 18081 8922 1 14 . 1 1 79 79 THR CA C 79 60.076 60.076 61.134 -1.058 18081 8923 1 14 . 1 1 79 79 THR CB C 79 72.829 72.829 71.275 1.554 18081 8924 1 14 . 1 1 79 79 THR H H 79 7.810 7.810 8.045 -0.235 18081 8925 1 14 . 1 1 80 80 ASN N N 80 116.427 116.427 122.407 -5.980 18081 8926 1 14 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.774 0.146 18081 8927 1 14 . 1 1 80 80 ASN C C 80 175.665 175.665 174.652 1.013 18081 8928 1 14 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.040 -1.017 18081 8929 1 14 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.955 -0.423 18081 8930 1 14 . 1 1 80 80 ASN H H 80 7.856 7.856 8.673 -0.817 18081 8931 1 14 . 1 1 81 81 ILE N N 81 121.552 121.552 123.248 -1.696 18081 8932 1 14 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.833 -0.036 18081 8933 1 14 . 1 1 81 81 ILE C C 81 176.564 176.564 175.080 1.484 18081 8934 1 14 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.648 0.875 18081 8935 1 14 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.622 -0.521 18081 8936 1 14 . 1 1 81 81 ILE H H 81 8.493 8.493 7.518 0.975 18081 8937 1 14 . 1 1 82 82 ASN N N 82 131.507 131.507 128.351 3.156 18081 8938 1 14 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.765 0.386 18081 8939 1 14 . 1 1 82 82 ASN C C 82 173.025 173.025 174.171 -1.146 18081 8940 1 14 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.886 2.381 18081 8941 1 14 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.497 1.309 18081 8942 1 14 . 1 1 82 82 ASN H H 82 8.911 8.911 8.422 0.489 18081 8943 1 14 . 1 1 83 83 VAL N N 83 120.866 120.866 118.698 2.168 18081 8944 1 14 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.293 0.372 18081 8945 1 14 . 1 1 83 83 VAL C C 83 173.954 173.954 174.341 -0.387 18081 8946 1 14 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.218 -1.098 18081 8947 1 14 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.062 3.591 18081 8948 1 14 . 1 1 83 83 VAL H H 83 8.356 8.356 7.885 0.471 18081 8949 1 14 . 1 1 84 84 GLU N N 84 125.997 125.997 126.716 -0.719 18081 8950 1 14 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.414 0.173 18081 8951 1 14 . 1 1 84 84 GLU C C 84 174.600 174.600 174.443 0.157 18081 8952 1 14 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.607 -0.580 18081 8953 1 14 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.805 -0.996 18081 8954 1 14 . 1 1 84 84 GLU H H 84 8.534 8.534 8.388 0.146 18081 8955 1 14 . 1 1 85 85 VAL N N 85 125.888 125.888 120.689 5.199 18081 8956 1 14 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.385 -0.336 18081 8957 1 14 . 1 1 85 85 VAL C C 85 173.256 173.256 175.116 -1.860 18081 8958 1 14 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.909 0.608 18081 8959 1 14 . 1 1 85 85 VAL CB C 85 32.786 32.786 33.718 -0.932 18081 8960 1 14 . 1 1 85 85 VAL H H 85 8.782 8.782 8.173 0.609 18081 8961 1 14 . 1 1 86 86 LEU N N 86 128.745 128.745 125.496 3.249 18081 8962 1 14 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.365 0.436 18081 8963 1 14 . 1 1 86 86 LEU CA C 86 51.934 51.934 54.629 -2.695 18081 8964 1 14 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.388 1.022 18081 8965 1 14 . 1 1 86 86 LEU H H 86 9.131 9.131 8.460 0.671 18081 8966 1 14 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.214 0.450 18081 8967 1 14 . 1 1 87 87 PRO C C 87 178.454 178.454 177.277 1.177 18081 8968 1 14 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.095 -0.483 18081 8969 1 14 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.114 -0.909 18081 8970 1 14 . 1 1 88 88 GLY N N 88 112.804 112.804 108.653 4.151 18081 8971 1 14 . 1 1 88 88 GLY C C 88 173.451 173.451 173.384 0.067 18081 8972 1 14 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.209 -0.126 18081 8973 1 14 . 1 1 88 88 GLY H H 88 9.103 9.103 8.661 0.442 18081 8974 1 14 . 1 1 89 89 GLU N N 89 118.355 118.355 118.495 -0.140 18081 8975 1 14 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.621 0.479 18081 8976 1 14 . 1 1 89 89 GLU C C 89 176.719 176.719 175.211 1.508 18081 8977 1 14 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.896 -0.649 18081 8978 1 14 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.222 -0.359 18081 8979 1 14 . 1 1 89 89 GLU H H 89 7.764 7.764 7.412 0.352 18081 8980 1 14 . 1 1 90 90 VAL N N 90 127.142 127.142 126.811 0.331 18081 8981 1 14 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.275 0.225 18081 8982 1 14 . 1 1 90 90 VAL C C 90 176.838 176.838 175.601 1.237 18081 8983 1 14 . 1 1 90 90 VAL CA C 90 61.856 61.856 62.233 -0.377 18081 8984 1 14 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.907 0.231 18081 8985 1 14 . 1 1 90 90 VAL H H 90 8.830 8.830 7.867 0.963 18081 8986 1 14 . 1 1 91 91 SER N N 91 127.859 127.859 125.209 2.650 18081 8987 1 14 . 1 1 91 91 SER HA H 91 4.924 4.924 4.702 0.222 18081 8988 1 14 . 1 1 91 91 SER C C 91 173.015 173.015 173.860 -0.845 18081 8989 1 14 . 1 1 91 91 SER CA C 91 58.118 58.118 57.827 0.291 18081 8990 1 14 . 1 1 91 91 SER CB C 91 63.931 63.931 64.147 -0.216 18081 8991 1 14 . 1 1 91 91 SER H H 91 9.710 9.710 9.068 0.642 18081 8992 1 14 . 1 1 92 92 THR N N 92 122.627 122.627 117.250 5.377 18081 8993 1 14 . 1 1 92 92 THR HA H 92 5.682 5.682 5.185 0.497 18081 8994 1 14 . 1 1 92 92 THR C C 92 174.480 174.480 173.475 1.005 18081 8995 1 14 . 1 1 92 92 THR CA C 92 61.856 61.856 61.740 0.116 18081 8996 1 14 . 1 1 92 92 THR CB C 92 70.160 70.160 70.495 -0.335 18081 8997 1 14 . 1 1 92 92 THR H H 92 8.864 8.864 8.434 0.430 18081 8998 1 14 . 1 1 93 93 VAL N N 93 126.698 126.698 125.559 1.139 18081 8999 1 14 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.510 -0.003 18081 9000 1 14 . 1 1 93 93 VAL C C 93 173.002 173.002 173.965 -0.963 18081 9001 1 14 . 1 1 93 93 VAL CA C 93 60.654 60.654 59.112 1.542 18081 9002 1 14 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.810 -0.157 18081 9003 1 14 . 1 1 93 93 VAL H H 93 8.806 8.806 8.320 0.486 18081 9004 1 14 . 1 1 94 94 ARG N N 94 126.396 126.396 126.139 0.257 18081 9005 1 14 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.399 0.491 18081 9006 1 14 . 1 1 94 94 ARG C C 94 175.885 175.885 175.512 0.373 18081 9007 1 14 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.919 -0.538 18081 9008 1 14 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.524 2.064 18081 9009 1 14 . 1 1 94 94 ARG H H 94 8.630 8.630 8.515 0.115 18081 9010 1 14 . 1 1 95 95 TYR N N 95 126.390 126.390 127.403 -1.013 18081 9011 1 14 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.689 -0.369 18081 9012 1 14 . 1 1 95 95 TYR C C 95 172.683 172.683 173.888 -1.205 18081 9013 1 14 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.644 1.942 18081 9014 1 14 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.109 4.344 18081 9015 1 14 . 1 1 95 95 TYR H H 95 9.623 9.623 8.291 1.332 18081 9016 1 14 . 1 1 96 96 THR N N 96 121.396 121.396 122.492 -1.096 18081 9017 1 14 . 1 1 96 96 THR HA H 96 4.684 4.684 4.524 0.160 18081 9018 1 14 . 1 1 96 96 THR C C 96 172.729 172.729 173.340 -0.611 18081 9019 1 14 . 1 1 96 96 THR CA C 96 61.322 61.322 60.831 0.491 18081 9020 1 14 . 1 1 96 96 THR CB C 96 70.160 70.160 70.020 0.140 18081 9021 1 14 . 1 1 96 96 THR H H 96 6.742 6.742 7.877 -1.135 18081 9022 1 14 . 1 1 97 97 PHE N N 97 126.539 126.539 126.108 0.431 18081 9023 1 14 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.549 -0.096 18081 9024 1 14 . 1 1 97 97 PHE C C 97 176.075 176.075 176.011 0.064 18081 9025 1 14 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.646 1.561 18081 9026 1 14 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.839 -1.931 18081 9027 1 14 . 1 1 97 97 PHE H H 97 8.933 8.933 8.765 0.168 18081 9028 1 14 . 1 1 98 98 LYS N N 98 123.417 123.417 119.407 4.010 18081 9029 1 14 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.546 -0.153 18081 9030 1 14 . 1 1 98 98 LYS C C 98 175.939 175.939 175.120 0.819 18081 9031 1 14 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.573 0.210 18081 9032 1 14 . 1 1 98 98 LYS CB C 98 32.984 32.984 34.399 -1.415 18081 9033 1 14 . 1 1 98 98 LYS H H 98 8.604 8.604 8.871 -0.267 18081 9034 1 14 . 1 1 99 99 ARG N N 99 118.424 118.424 119.862 -1.438 18081 9035 1 14 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.634 0.386 18081 9036 1 14 . 1 1 99 99 ARG C C 99 174.332 174.332 173.048 1.284 18081 9037 1 14 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.417 -0.816 18081 9038 1 14 . 1 1 99 99 ARG CB C 99 31.600 31.600 29.687 1.913 18081 9039 1 14 . 1 1 99 99 ARG H H 99 7.801 7.801 7.489 0.312 18081 9040 1 14 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.363 0.020 18081 9041 1 14 . 1 1 100 100 PRO C C 100 175.190 175.190 176.218 -1.028 18081 9042 1 14 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.553 0.015 18081 9043 1 14 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.036 0.552 18081 9044 1 14 . 1 1 101 101 GLY N N 101 108.626 108.626 108.209 0.417 18081 9045 1 14 . 1 1 101 101 GLY C C 101 171.375 171.375 171.842 -0.467 18081 9046 1 14 . 1 1 101 101 GLY CA C 101 44.103 44.103 45.077 -0.974 18081 9047 1 14 . 1 1 101 101 GLY H H 101 8.685 8.685 7.762 0.923 18081 9048 1 14 . 1 1 102 102 GLU N N 102 119.327 119.327 122.099 -2.772 18081 9049 1 14 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.792 0.359 18081 9050 1 14 . 1 1 102 102 GLU C C 102 176.066 176.066 175.183 0.883 18081 9051 1 14 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.031 0.373 18081 9052 1 14 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.748 -0.544 18081 9053 1 14 . 1 1 102 102 GLU H H 102 8.144 8.144 8.418 -0.274 18081 9054 1 14 . 1 1 103 103 TYR N N 103 125.807 125.807 120.933 4.874 18081 9055 1 14 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.972 -0.326 18081 9056 1 14 . 1 1 103 103 TYR C C 103 174.711 174.711 173.632 1.079 18081 9057 1 14 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.971 -0.632 18081 9058 1 14 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.178 0.011 18081 9059 1 14 . 1 1 103 103 TYR H H 103 9.687 9.687 8.862 0.825 18081 9060 1 14 . 1 1 104 104 ARG N N 104 124.463 124.463 121.398 3.065 18081 9061 1 14 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.683 -0.056 18081 9062 1 14 . 1 1 104 104 ARG C C 104 174.570 174.570 175.726 -1.156 18081 9063 1 14 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.688 2.077 18081 9064 1 14 . 1 1 104 104 ARG CB C 104 31.698 31.698 33.392 -1.694 18081 9065 1 14 . 1 1 104 104 ARG H H 104 8.902 8.902 8.225 0.677 18081 9066 1 14 . 1 1 105 105 ILE N N 105 124.589 124.589 119.501 5.088 18081 9067 1 14 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.006 0.363 18081 9068 1 14 . 1 1 105 105 ILE C C 105 175.576 175.576 174.183 1.393 18081 9069 1 14 . 1 1 105 105 ILE CA C 105 59.935 59.935 62.220 -2.285 18081 9070 1 14 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.935 0.875 18081 9071 1 14 . 1 1 105 105 ILE H H 105 8.289 8.289 8.666 -0.377 18081 9072 1 14 . 1 1 106 106 ILE N N 106 121.777 121.777 124.130 -2.353 18081 9073 1 14 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.651 0.387 18081 9074 1 14 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.159 -0.936 18081 9075 1 14 . 1 1 106 106 ILE CB C 106 42.475 42.475 38.595 3.880 18081 9076 1 14 . 1 1 106 106 ILE H H 106 8.765 8.765 8.808 -0.043 18081 9077 1 14 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.537 -0.415 18081 9078 1 14 . 1 1 109 109 GLN C C 109 175.724 175.724 175.463 0.261 18081 9079 1 14 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.720 -0.248 18081 9080 1 14 . 1 1 109 109 GLN CB C 109 29.128 29.128 30.744 -1.616 18081 9081 1 14 . 1 1 110 110 TYR N N 110 120.856 120.856 118.495 2.361 18081 9082 1 14 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.497 -0.008 18081 9083 1 14 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.709 -0.724 18081 9084 1 14 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.864 -0.937 18081 9085 1 14 . 1 1 110 110 TYR H H 110 8.191 8.191 8.179 0.012 18081 9086 1 14 . 1 1 111 111 CYS N N 111 120.561 120.561 123.075 -2.514 18081 9087 1 14 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.319 0.064 18081 9088 1 14 . 1 1 111 111 CYS C C 111 174.692 174.692 175.188 -0.496 18081 9089 1 14 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.429 -0.812 18081 9090 1 14 . 1 1 111 111 CYS CB C 111 27.976 27.976 27.655 0.321 18081 9091 1 14 . 1 1 111 111 CYS H H 111 8.166 8.166 8.320 -0.154 18081 9092 1 14 . 1 1 112 112 GLY N N 112 111.467 111.467 114.830 -3.363 18081 9093 1 14 . 1 1 112 112 GLY C C 112 173.900 173.900 173.261 0.639 18081 9094 1 14 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.876 -0.731 18081 9095 1 14 . 1 1 112 112 GLY H H 112 8.239 8.239 8.419 -0.180 18081 9096 1 14 . 1 1 113 113 LEU N N 113 122.150 122.150 124.769 -2.619 18081 9097 1 14 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.464 -0.140 18081 9098 1 14 . 1 1 113 113 LEU C C 113 178.068 178.068 175.935 2.133 18081 9099 1 14 . 1 1 113 113 LEU CA C 113 55.718 55.718 54.717 1.001 18081 9100 1 14 . 1 1 113 113 LEU CB C 113 42.079 42.079 45.740 -3.661 18081 9101 1 14 . 1 1 113 113 LEU H H 113 8.179 8.179 7.515 0.664 18081 9102 1 14 . 1 1 114 114 GLY N N 114 109.278 109.278 110.874 -1.596 18081 9103 1 14 . 1 1 114 114 GLY C C 114 174.142 174.142 174.104 0.038 18081 9104 1 14 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.094 0.255 18081 9105 1 14 . 1 1 114 114 GLY H H 114 8.393 8.393 8.488 -0.095 18081 9106 1 14 . 1 1 117 117 ASN N N 117 120.387 120.387 118.089 2.298 18081 9107 1 14 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.577 0.101 18081 9108 1 14 . 1 1 117 117 ASN C C 117 174.422 174.422 175.143 -0.721 18081 9109 1 14 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.618 -0.439 18081 9110 1 14 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.856 0.159 18081 9111 1 14 . 1 1 117 117 ASN H H 117 8.522 8.522 8.348 0.174 18081 9112 1 14 . 1 1 118 118 MET N N 118 120.526 120.526 114.355 6.171 18081 9113 1 14 . 1 1 118 118 MET C C 118 173.321 173.321 175.307 -1.986 18081 9114 1 14 . 1 1 118 118 MET CA C 118 55.360 55.360 54.430 0.930 18081 9115 1 14 . 1 1 118 118 MET CB C 118 34.467 34.467 35.234 -0.768 18081 9116 1 14 . 1 1 118 118 MET H H 118 7.981 7.981 8.176 -0.195 18081 9117 1 14 . 1 1 119 119 PHE N N 119 119.704 119.704 119.868 -0.164 18081 9118 1 14 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.731 1.091 18081 9119 1 14 . 1 1 119 119 PHE C C 119 174.894 174.894 176.188 -1.294 18081 9120 1 14 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.277 -1.161 18081 9121 1 14 . 1 1 119 119 PHE CB C 119 42.377 42.377 38.995 3.382 18081 9122 1 14 . 1 1 119 119 PHE H H 119 8.068 8.068 8.186 -0.118 18081 9123 1 14 . 1 1 120 120 GLY N N 120 109.869 109.869 111.733 -1.864 18081 9124 1 14 . 1 1 120 120 GLY C C 120 172.817 172.817 172.816 0.001 18081 9125 1 14 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.873 -0.592 18081 9126 1 14 . 1 1 120 120 GLY H H 120 8.984 8.984 8.795 0.189 18081 9127 1 14 . 1 1 121 121 THR N N 121 115.820 115.820 115.400 0.420 18081 9128 1 14 . 1 1 121 121 THR HA H 121 5.068 5.068 4.499 0.569 18081 9129 1 14 . 1 1 121 121 THR C C 121 173.062 173.062 173.186 -0.124 18081 9130 1 14 . 1 1 121 121 THR CA C 121 62.745 62.745 62.270 0.475 18081 9131 1 14 . 1 1 121 121 THR CB C 121 72.533 72.533 71.091 1.442 18081 9132 1 14 . 1 1 121 121 THR H H 121 8.123 8.123 8.259 -0.136 18081 9133 1 14 . 1 1 122 122 ILE N N 122 127.420 127.420 126.906 0.514 18081 9134 1 14 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.315 0.520 18081 9135 1 14 . 1 1 122 122 ILE C C 122 174.260 174.260 173.053 1.207 18081 9136 1 14 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.104 -0.028 18081 9137 1 14 . 1 1 122 122 ILE CB C 122 40.399 40.399 43.195 -2.796 18081 9138 1 14 . 1 1 122 122 ILE H H 122 9.152 9.152 9.033 0.119 18081 9139 1 14 . 1 1 123 123 VAL N N 123 130.032 130.032 125.524 4.508 18081 9140 1 14 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.361 0.018 18081 9141 1 14 . 1 1 123 123 VAL C C 123 174.012 174.012 173.556 0.456 18081 9142 1 14 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.674 2.137 18081 9143 1 14 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.282 -2.002 18081 9144 1 14 . 1 1 123 123 VAL H H 123 9.601 9.601 8.366 1.235 18081 9145 1 14 . 1 1 124 124 VAL N N 124 128.765 128.765 129.417 -0.652 18081 9146 1 14 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.517 0.182 18081 9147 1 14 . 1 1 124 124 VAL C C 124 177.239 177.239 175.310 1.929 18081 9148 1 14 . 1 1 124 124 VAL CA C 124 60.565 60.565 59.678 0.887 18081 9149 1 14 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.675 -1.372 18081 9150 1 14 . 1 1 124 124 VAL H H 124 9.056 9.056 8.797 0.259 18081 9151 1 14 . 1 1 125 125 LYS N N 125 129.953 129.953 128.199 1.754 18081 9152 1 14 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.623 -0.282 18081 9153 1 14 . 1 1 125 125 LYS C C 125 175.317 175.317 175.717 -0.400 18081 9154 1 14 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.910 1.539 18081 9155 1 14 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.816 0.761 18081 9156 1 14 . 1 1 125 125 LYS H H 125 8.854 8.854 8.698 0.156 18081 9157 1 15 . 1 1 2 2 VAL N N 2 126.137 126.137 121.279 4.858 18081 9158 1 15 . 1 1 2 2 VAL HA H 2 4.026 4.026 3.927 0.099 18081 9159 1 15 . 1 1 2 2 VAL C C 2 176.484 176.484 174.148 2.336 18081 9160 1 15 . 1 1 2 2 VAL CA C 2 62.568 62.568 63.239 -0.671 18081 9161 1 15 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.478 0.913 18081 9162 1 15 . 1 1 2 2 VAL H H 2 8.035 8.035 8.035 0.000 18081 9163 1 15 . 1 1 3 3 ILE N N 3 124.059 124.059 115.850 8.209 18081 9164 1 15 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.743 -0.248 18081 9165 1 15 . 1 1 3 3 ILE C C 3 174.606 174.606 175.049 -0.443 18081 9166 1 15 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.281 0.104 18081 9167 1 15 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.309 1.212 18081 9168 1 15 . 1 1 3 3 ILE H H 3 7.856 7.856 7.664 0.192 18081 9169 1 15 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.506 -0.133 18081 9170 1 15 . 1 1 4 4 PRO C C 4 176.585 176.585 175.793 0.792 18081 9171 1 15 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.352 0.838 18081 9172 1 15 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.496 -0.532 18081 9173 1 15 . 1 1 5 5 ALA N N 5 125.371 125.371 122.439 2.932 18081 9174 1 15 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.564 -0.277 18081 9175 1 15 . 1 1 5 5 ALA C C 5 178.454 178.454 176.445 2.009 18081 9176 1 15 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.444 0.291 18081 9177 1 15 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.969 -0.926 18081 9178 1 15 . 1 1 5 5 ALA H H 5 8.458 8.458 8.325 0.133 18081 9179 1 15 . 1 1 6 6 GLY N N 6 108.626 108.626 110.187 -1.561 18081 9180 1 15 . 1 1 6 6 GLY C C 6 173.996 173.996 173.619 0.377 18081 9181 1 15 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.571 -0.399 18081 9182 1 15 . 1 1 6 6 GLY H H 6 8.378 8.378 8.431 -0.052 18081 9183 1 15 . 1 1 7 7 LYS N N 7 121.320 121.320 120.353 0.967 18081 9184 1 15 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.083 0.246 18081 9185 1 15 . 1 1 7 7 LYS C C 7 176.362 176.362 175.352 1.010 18081 9186 1 15 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.948 -0.832 18081 9187 1 15 . 1 1 7 7 LYS CB C 7 32.984 32.984 32.987 -0.003 18081 9188 1 15 . 1 1 7 7 LYS H H 7 7.976 7.976 8.114 -0.138 18081 9189 1 15 . 1 1 8 8 LEU N N 8 124.548 124.548 115.960 8.588 18081 9190 1 15 . 1 1 8 8 LEU HA H 8 4.391 4.391 3.996 0.395 18081 9191 1 15 . 1 1 8 8 LEU C C 8 176.772 176.772 174.797 1.975 18081 9192 1 15 . 1 1 8 8 LEU CA C 8 55.182 55.182 56.078 -0.896 18081 9193 1 15 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.049 0.426 18081 9194 1 15 . 1 1 8 8 LEU H H 8 8.283 8.283 8.442 -0.159 18081 9195 1 15 . 1 1 9 9 GLU N N 9 124.888 124.888 119.442 5.446 18081 9196 1 15 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.706 -0.316 18081 9197 1 15 . 1 1 9 9 GLU C C 9 174.919 174.919 175.179 -0.260 18081 9198 1 15 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.892 1.579 18081 9199 1 15 . 1 1 9 9 GLU CB C 9 30.611 30.611 33.782 -3.171 18081 9200 1 15 . 1 1 9 9 GLU H H 9 8.679 8.679 8.185 0.494 18081 9201 1 15 . 1 1 10 10 ARG N N 10 123.557 123.557 122.850 0.707 18081 9202 1 15 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.498 0.474 18081 9203 1 15 . 1 1 10 10 ARG C C 10 175.727 175.727 176.019 -0.292 18081 9204 1 15 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.583 -0.498 18081 9205 1 15 . 1 1 10 10 ARG CB C 10 32.545 32.545 30.420 2.125 18081 9206 1 15 . 1 1 10 10 ARG H H 10 8.248 8.248 8.598 -0.350 18081 9207 1 15 . 1 1 11 11 VAL N N 11 118.077 118.077 118.811 -0.734 18081 9208 1 15 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.474 -0.094 18081 9209 1 15 . 1 1 11 11 VAL C C 11 173.297 173.297 174.320 -1.023 18081 9210 1 15 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.858 -0.272 18081 9211 1 15 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.788 -0.025 18081 9212 1 15 . 1 1 11 11 VAL H H 11 8.039 8.039 7.953 0.086 18081 9213 1 15 . 1 1 12 12 ASP N N 12 123.786 123.786 117.106 6.680 18081 9214 1 15 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.031 -0.080 18081 9215 1 15 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.835 -1.236 18081 9216 1 15 . 1 1 12 12 ASP CB C 12 41.388 41.388 44.042 -2.654 18081 9217 1 15 . 1 1 12 12 ASP H H 12 8.313 8.313 8.214 0.099 18081 9218 1 15 . 1 1 13 13 PRO C C 13 177.705 177.705 177.354 0.351 18081 9219 1 15 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.164 0.575 18081 9220 1 15 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.889 -0.267 18081 9221 1 15 . 1 1 14 14 THR N N 14 109.188 109.188 114.064 -4.876 18081 9222 1 15 . 1 1 14 14 THR HA H 14 4.252 4.252 3.958 0.294 18081 9223 1 15 . 1 1 14 14 THR C C 14 176.733 176.733 175.099 1.634 18081 9224 1 15 . 1 1 14 14 THR CA C 14 63.996 63.996 64.695 -0.699 18081 9225 1 15 . 1 1 14 14 THR CB C 14 69.270 69.270 68.880 0.390 18081 9226 1 15 . 1 1 14 14 THR H H 14 8.413 8.413 7.830 0.583 18081 9227 1 15 . 1 1 15 15 THR N N 15 108.904 108.904 109.680 -0.776 18081 9228 1 15 . 1 1 15 15 THR HA H 15 4.733 4.733 4.502 0.231 18081 9229 1 15 . 1 1 15 15 THR C C 15 177.174 177.174 174.413 2.761 18081 9230 1 15 . 1 1 15 15 THR CA C 15 61.589 61.589 61.453 0.136 18081 9231 1 15 . 1 1 15 15 THR CB C 15 70.654 70.654 69.955 0.699 18081 9232 1 15 . 1 1 15 15 THR H H 15 7.413 7.413 7.657 -0.244 18081 9233 1 15 . 1 1 16 16 VAL N N 16 122.387 122.387 123.136 -0.749 18081 9234 1 15 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.801 0.397 18081 9235 1 15 . 1 1 16 16 VAL C C 16 175.683 175.683 175.137 0.546 18081 9236 1 15 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.333 -0.881 18081 9237 1 15 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.233 -0.731 18081 9238 1 15 . 1 1 16 16 VAL H H 16 7.143 7.143 7.299 -0.156 18081 9239 1 15 . 1 1 17 17 ARG N N 17 115.917 115.917 114.583 1.334 18081 9240 1 15 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.344 -0.073 18081 9241 1 15 . 1 1 17 17 ARG C C 17 175.861 175.861 177.983 -2.122 18081 9242 1 15 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.706 -0.656 18081 9243 1 15 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.799 0.227 18081 9244 1 15 . 1 1 17 17 ARG H H 17 8.227 8.227 8.265 -0.038 18081 9245 1 15 . 1 1 18 18 GLN N N 18 117.044 117.044 118.401 -1.357 18081 9246 1 15 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.291 0.108 18081 9247 1 15 . 1 1 18 18 GLN C C 18 175.506 175.506 175.544 -0.038 18081 9248 1 15 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.794 -0.655 18081 9249 1 15 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.633 1.176 18081 9250 1 15 . 1 1 18 18 GLN H H 18 7.765 7.765 8.046 -0.281 18081 9251 1 15 . 1 1 19 19 GLU N N 19 118.659 118.659 119.253 -0.594 18081 9252 1 15 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.470 0.089 18081 9253 1 15 . 1 1 19 19 GLU C C 19 175.081 175.081 175.011 0.070 18081 9254 1 15 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.760 -0.578 18081 9255 1 15 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.912 0.479 18081 9256 1 15 . 1 1 19 19 GLU H H 19 8.070 8.070 7.979 0.091 18081 9257 1 15 . 1 1 20 20 GLY N N 20 113.694 113.694 112.485 1.209 18081 9258 1 15 . 1 1 20 20 GLY C C 20 174.150 174.150 172.350 1.800 18081 9259 1 15 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.898 -0.350 18081 9260 1 15 . 1 1 20 20 GLY H H 20 8.933 8.933 8.065 0.868 18081 9261 1 15 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.351 -0.678 18081 9262 1 15 . 1 1 21 21 PRO C C 21 176.703 176.703 177.399 -0.696 18081 9263 1 15 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.566 0.315 18081 9264 1 15 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.418 -1.381 18081 9265 1 15 . 1 1 22 22 TRP N N 22 117.898 117.898 118.594 -0.696 18081 9266 1 15 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.657 -0.343 18081 9267 1 15 . 1 1 22 22 TRP C C 22 174.965 174.965 176.962 -1.997 18081 9268 1 15 . 1 1 22 22 TRP CA C 22 60.521 60.521 58.899 1.622 18081 9269 1 15 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.265 1.006 18081 9270 1 15 . 1 1 22 22 TRP H H 22 8.759 8.759 8.049 0.710 18081 9271 1 15 . 1 1 23 23 ALA N N 23 120.887 120.887 122.210 -1.323 18081 9272 1 15 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.391 -0.467 18081 9273 1 15 . 1 1 23 23 ALA C C 23 177.520 177.520 178.057 -0.537 18081 9274 1 15 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.389 1.393 18081 9275 1 15 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.296 -0.748 18081 9276 1 15 . 1 1 23 23 ALA H H 23 7.232 7.232 7.659 -0.427 18081 9277 1 15 . 1 1 24 24 ASP N N 24 115.176 115.176 117.680 -2.504 18081 9278 1 15 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.125 0.061 18081 9279 1 15 . 1 1 24 24 ASP C C 24 176.860 176.860 175.566 1.294 18081 9280 1 15 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.234 -1.614 18081 9281 1 15 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.633 -1.146 18081 9282 1 15 . 1 1 24 24 ASP H H 24 7.718 7.718 7.486 0.232 18081 9283 1 15 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.407 -0.108 18081 9284 1 15 . 1 1 25 25 PRO C C 25 177.445 177.445 177.251 0.194 18081 9285 1 15 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.776 -0.295 18081 9286 1 15 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.134 -0.238 18081 9287 1 15 . 1 1 26 26 ALA N N 26 120.150 120.150 121.272 -1.122 18081 9288 1 15 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.259 0.046 18081 9289 1 15 . 1 1 26 26 ALA C C 26 179.061 179.061 178.229 0.832 18081 9290 1 15 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.101 -0.254 18081 9291 1 15 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.621 -0.369 18081 9292 1 15 . 1 1 26 26 ALA H H 26 8.158 8.158 8.060 0.098 18081 9293 1 15 . 1 1 27 27 GLN N N 27 117.617 117.617 115.618 1.999 18081 9294 1 15 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.487 0.208 18081 9295 1 15 . 1 1 27 27 GLN C C 27 175.309 175.309 175.030 0.279 18081 9296 1 15 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.763 -0.505 18081 9297 1 15 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.012 0.720 18081 9298 1 15 . 1 1 27 27 GLN H H 27 7.732 7.732 7.636 0.096 18081 9299 1 15 . 1 1 28 28 ALA N N 28 122.069 122.069 122.823 -0.754 18081 9300 1 15 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.338 0.043 18081 9301 1 15 . 1 1 28 28 ALA C C 28 176.358 176.358 176.407 -0.049 18081 9302 1 15 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.324 1.258 18081 9303 1 15 . 1 1 28 28 ALA CB C 28 20.921 20.921 20.011 0.910 18081 9304 1 15 . 1 1 28 28 ALA H H 28 6.996 6.996 7.424 -0.428 18081 9305 1 15 . 1 1 29 29 VAL N N 29 114.478 114.478 117.697 -3.219 18081 9306 1 15 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.986 -0.279 18081 9307 1 15 . 1 1 29 29 VAL C C 29 176.252 176.252 175.426 0.826 18081 9308 1 15 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.960 1.029 18081 9309 1 15 . 1 1 29 29 VAL CB C 29 31.600 31.600 33.994 -2.394 18081 9310 1 15 . 1 1 29 29 VAL H H 29 7.868 7.868 7.550 0.318 18081 9311 1 15 . 1 1 30 30 VAL N N 30 129.718 129.718 121.837 7.881 18081 9312 1 15 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.611 -0.224 18081 9313 1 15 . 1 1 30 30 VAL C C 30 175.107 175.107 174.652 0.455 18081 9314 1 15 . 1 1 30 30 VAL CA C 30 60.743 60.743 59.810 0.933 18081 9315 1 15 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.050 0.207 18081 9316 1 15 . 1 1 30 30 VAL H H 30 9.556 9.556 8.025 1.531 18081 9317 1 15 . 1 1 31 31 GLN N N 31 129.372 129.372 126.780 2.592 18081 9318 1 15 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.344 -0.203 18081 9319 1 15 . 1 1 31 31 GLN C C 31 176.413 176.413 175.818 0.595 18081 9320 1 15 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.573 0.477 18081 9321 1 15 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.685 -1.634 18081 9322 1 15 . 1 1 31 31 GLN H H 31 9.153 9.153 8.823 0.330 18081 9323 1 15 . 1 1 32 32 THR N N 32 119.775 119.775 119.318 0.457 18081 9324 1 15 . 1 1 32 32 THR HA H 32 4.392 4.392 4.597 -0.205 18081 9325 1 15 . 1 1 32 32 THR C C 32 174.102 174.102 174.538 -0.436 18081 9326 1 15 . 1 1 32 32 THR CA C 32 61.678 61.678 61.393 0.285 18081 9327 1 15 . 1 1 32 32 THR CB C 32 68.775 68.775 69.928 -1.153 18081 9328 1 15 . 1 1 32 32 THR H H 32 8.266 8.266 8.257 0.009 18081 9329 1 15 . 1 1 33 33 GLY N N 33 111.761 111.761 110.275 1.486 18081 9330 1 15 . 1 1 33 33 GLY C C 33 170.586 170.586 172.635 -2.049 18081 9331 1 15 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.083 1.999 18081 9332 1 15 . 1 1 33 33 GLY H H 33 7.997 7.997 7.427 0.570 18081 9333 1 15 . 1 1 34 34 PRO C C 34 176.674 176.674 176.450 0.224 18081 9334 1 15 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.844 0.037 18081 9335 1 15 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.225 -0.864 18081 9336 1 15 . 1 1 35 35 ASN N N 35 117.681 117.681 113.236 4.445 18081 9337 1 15 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.637 0.217 18081 9338 1 15 . 1 1 35 35 ASN C C 35 173.262 173.262 172.986 0.276 18081 9339 1 15 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.588 -0.465 18081 9340 1 15 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.437 0.320 18081 9341 1 15 . 1 1 35 35 ASN H H 35 8.649 8.649 8.363 0.286 18081 9342 1 15 . 1 1 36 36 GLN N N 36 119.276 119.276 117.158 2.118 18081 9343 1 15 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.926 0.641 18081 9344 1 15 . 1 1 36 36 GLN C C 36 173.292 173.292 174.024 -0.732 18081 9345 1 15 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.129 0.474 18081 9346 1 15 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.229 3.645 18081 9347 1 15 . 1 1 36 36 GLN H H 36 6.953 6.953 7.450 -0.497 18081 9348 1 15 . 1 1 37 37 TYR N N 37 125.339 125.339 124.823 0.516 18081 9349 1 15 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.746 0.318 18081 9350 1 15 . 1 1 37 37 TYR C C 37 174.321 174.321 175.824 -1.503 18081 9351 1 15 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.624 -0.152 18081 9352 1 15 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.958 0.738 18081 9353 1 15 . 1 1 37 37 TYR H H 37 8.898 8.898 8.492 0.406 18081 9354 1 15 . 1 1 38 38 THR N N 38 121.935 121.935 120.194 1.741 18081 9355 1 15 . 1 1 38 38 THR HA H 38 5.098 5.098 4.445 0.653 18081 9356 1 15 . 1 1 38 38 THR C C 38 172.253 172.253 173.774 -1.521 18081 9357 1 15 . 1 1 38 38 THR CA C 38 61.589 61.589 62.548 -0.959 18081 9358 1 15 . 1 1 38 38 THR CB C 38 69.764 69.764 68.382 1.382 18081 9359 1 15 . 1 1 38 38 THR H H 38 9.592 9.592 8.748 0.844 18081 9360 1 15 . 1 1 39 39 VAL N N 39 126.189 126.189 128.568 -2.379 18081 9361 1 15 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.933 1.168 18081 9362 1 15 . 1 1 39 39 VAL C C 39 174.612 174.612 174.401 0.211 18081 9363 1 15 . 1 1 39 39 VAL CA C 39 59.631 59.631 62.314 -2.683 18081 9364 1 15 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.264 1.806 18081 9365 1 15 . 1 1 39 39 VAL H H 39 8.710 8.710 8.210 0.500 18081 9366 1 15 . 1 1 40 40 TYR N N 40 130.243 130.243 127.198 3.045 18081 9367 1 15 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.051 -0.410 18081 9368 1 15 . 1 1 40 40 TYR C C 40 174.840 174.840 176.108 -1.268 18081 9369 1 15 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.511 2.141 18081 9370 1 15 . 1 1 40 40 TYR CB C 40 36.840 36.840 38.556 -1.716 18081 9371 1 15 . 1 1 40 40 TYR H H 40 9.139 9.139 8.044 1.095 18081 9372 1 15 . 1 1 41 41 VAL N N 41 124.415 124.415 118.321 6.094 18081 9373 1 15 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.723 0.617 18081 9374 1 15 . 1 1 41 41 VAL C C 41 175.680 175.680 174.759 0.921 18081 9375 1 15 . 1 1 41 41 VAL CA C 41 60.254 60.254 60.178 0.076 18081 9376 1 15 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.065 0.797 18081 9377 1 15 . 1 1 41 41 VAL H H 41 8.686 8.686 8.604 0.082 18081 9378 1 15 . 1 1 42 42 LEU N N 42 129.148 129.148 126.027 3.121 18081 9379 1 15 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.769 0.377 18081 9380 1 15 . 1 1 42 42 LEU C C 42 175.161 175.161 175.186 -0.025 18081 9381 1 15 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.182 -1.403 18081 9382 1 15 . 1 1 42 42 LEU CB C 42 45.639 45.639 45.379 0.260 18081 9383 1 15 . 1 1 42 42 LEU H H 42 9.694 9.694 8.623 1.071 18081 9384 1 15 . 1 1 43 43 ALA N N 43 130.434 130.434 127.304 3.130 18081 9385 1 15 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.618 0.104 18081 9386 1 15 . 1 1 43 43 ALA C C 43 173.292 173.292 175.330 -2.038 18081 9387 1 15 . 1 1 43 43 ALA CA C 43 50.154 50.154 52.335 -2.181 18081 9388 1 15 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.629 -0.499 18081 9389 1 15 . 1 1 43 43 ALA H H 43 8.679 8.679 8.542 0.137 18081 9390 1 15 . 1 1 44 44 PHE N N 44 118.472 118.472 118.945 -0.473 18081 9391 1 15 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.993 0.216 18081 9392 1 15 . 1 1 44 44 PHE C C 44 172.698 172.698 174.299 -1.601 18081 9393 1 15 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.999 -1.875 18081 9394 1 15 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.825 1.848 18081 9395 1 15 . 1 1 44 44 PHE H H 44 7.756 7.756 7.519 0.237 18081 9396 1 15 . 1 1 45 45 ALA N N 45 122.901 122.901 123.693 -0.792 18081 9397 1 15 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.321 -0.908 18081 9398 1 15 . 1 1 45 45 ALA C C 45 177.267 177.267 177.318 -0.051 18081 9399 1 15 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.521 -6.238 18081 9400 1 15 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.794 -3.014 18081 9401 1 15 . 1 1 45 45 ALA H H 45 9.739 9.739 8.860 0.879 18081 9402 1 15 . 1 1 46 46 PHE N N 46 128.515 128.515 120.836 7.679 18081 9403 1 15 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.686 0.534 18081 9404 1 15 . 1 1 46 46 PHE C C 46 173.387 173.387 175.678 -2.291 18081 9405 1 15 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.856 3.175 18081 9406 1 15 . 1 1 46 46 PHE CB C 46 40.399 40.399 37.998 2.401 18081 9407 1 15 . 1 1 46 46 PHE H H 46 7.994 7.994 8.584 -0.590 18081 9408 1 15 . 1 1 47 47 GLY N N 47 113.741 113.741 111.075 2.666 18081 9409 1 15 . 1 1 47 47 GLY C C 47 167.774 167.774 172.548 -4.774 18081 9410 1 15 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.984 0.251 18081 9411 1 15 . 1 1 47 47 GLY H H 47 7.796 7.796 7.711 0.085 18081 9412 1 15 . 1 1 48 48 TYR N N 48 119.637 119.637 120.840 -1.203 18081 9413 1 15 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.695 0.643 18081 9414 1 15 . 1 1 48 48 TYR C C 48 175.042 175.042 173.415 1.627 18081 9415 1 15 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.746 -1.452 18081 9416 1 15 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.867 1.095 18081 9417 1 15 . 1 1 48 48 TYR H H 48 8.370 8.370 8.678 -0.308 18081 9418 1 15 . 1 1 49 49 GLN N N 49 121.776 121.776 122.730 -0.954 18081 9419 1 15 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.738 0.079 18081 9420 1 15 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.603 -1.269 18081 9421 1 15 . 1 1 49 49 GLN CB C 49 33.874 33.874 31.247 2.627 18081 9422 1 15 . 1 1 49 49 GLN H H 49 9.163 9.163 7.703 1.460 18081 9423 1 15 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.450 0.292 18081 9424 1 15 . 1 1 50 50 PRO C C 50 174.271 174.271 175.817 -1.546 18081 9425 1 15 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.743 0.047 18081 9426 1 15 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.458 2.207 18081 9427 1 15 . 1 1 51 51 ASN N N 51 113.755 113.755 116.444 -2.689 18081 9428 1 15 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.990 0.090 18081 9429 1 15 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.541 -0.542 18081 9430 1 15 . 1 1 51 51 ASN CB C 51 40.696 40.696 39.394 1.302 18081 9431 1 15 . 1 1 51 51 ASN H H 51 8.229 8.229 8.372 -0.143 18081 9432 1 15 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.472 0.799 18081 9433 1 15 . 1 1 52 52 PRO C C 52 176.525 176.525 175.648 0.877 18081 9434 1 15 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.959 0.632 18081 9435 1 15 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.791 3.116 18081 9436 1 15 . 1 1 53 53 ILE N N 53 120.452 120.452 123.185 -2.733 18081 9437 1 15 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.444 -0.378 18081 9438 1 15 . 1 1 53 53 ILE C C 53 174.236 174.236 174.766 -0.530 18081 9439 1 15 . 1 1 53 53 ILE CA C 53 61.500 61.500 58.797 2.703 18081 9440 1 15 . 1 1 53 53 ILE CB C 53 39.905 39.905 41.171 -1.266 18081 9441 1 15 . 1 1 53 53 ILE H H 53 8.321 8.321 7.878 0.443 18081 9442 1 15 . 1 1 54 54 GLU N N 54 129.279 129.279 122.146 7.133 18081 9443 1 15 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.464 1.003 18081 9444 1 15 . 1 1 54 54 GLU C C 54 175.598 175.598 174.472 1.126 18081 9445 1 15 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.780 -0.776 18081 9446 1 15 . 1 1 54 54 GLU CB C 54 30.907 30.907 31.872 -0.965 18081 9447 1 15 . 1 1 54 54 GLU H H 54 8.458 8.458 8.306 0.152 18081 9448 1 15 . 1 1 55 55 VAL N N 55 115.767 115.767 123.627 -7.860 18081 9449 1 15 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.416 0.240 18081 9450 1 15 . 1 1 55 55 VAL C C 55 172.453 172.453 173.545 -1.092 18081 9451 1 15 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.343 -2.604 18081 9452 1 15 . 1 1 55 55 VAL CB C 55 33.972 33.972 33.285 0.687 18081 9453 1 15 . 1 1 55 55 VAL H H 55 8.492 8.492 8.353 0.139 18081 9454 1 15 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.749 -0.082 18081 9455 1 15 . 1 1 56 56 PRO C C 56 177.445 177.445 177.150 0.295 18081 9456 1 15 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.102 -0.424 18081 9457 1 15 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.595 0.400 18081 9458 1 15 . 1 1 57 57 GLN N N 57 122.020 122.020 124.336 -2.316 18081 9459 1 15 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.065 -0.175 18081 9460 1 15 . 1 1 57 57 GLN C C 57 176.735 176.735 177.124 -0.389 18081 9461 1 15 . 1 1 57 57 GLN CA C 57 56.872 56.872 55.907 0.965 18081 9462 1 15 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.841 -0.999 18081 9463 1 15 . 1 1 57 57 GLN H H 57 8.466 8.466 7.903 0.563 18081 9464 1 15 . 1 1 58 58 GLY N N 58 112.805 112.805 109.353 3.452 18081 9465 1 15 . 1 1 58 58 GLY C C 58 172.686 172.686 173.349 -0.663 18081 9466 1 15 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.838 1.534 18081 9467 1 15 . 1 1 58 58 GLY H H 58 8.713 8.713 8.415 0.298 18081 9468 1 15 . 1 1 59 59 ALA N N 59 122.839 122.839 122.706 0.133 18081 9469 1 15 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.522 0.029 18081 9470 1 15 . 1 1 59 59 ALA C C 59 176.659 176.659 175.178 1.481 18081 9471 1 15 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.794 -0.062 18081 9472 1 15 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.815 -1.091 18081 9473 1 15 . 1 1 59 59 ALA H H 59 6.982 6.982 7.311 -0.329 18081 9474 1 15 . 1 1 60 60 GLU N N 60 123.390 123.390 119.224 4.166 18081 9475 1 15 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.250 0.057 18081 9476 1 15 . 1 1 60 60 GLU C C 60 173.876 173.876 175.484 -1.608 18081 9477 1 15 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.752 0.076 18081 9478 1 15 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.770 -0.456 18081 9479 1 15 . 1 1 60 60 GLU H H 60 8.260 8.260 8.081 0.179 18081 9480 1 15 . 1 1 61 61 ILE N N 61 130.883 130.883 122.475 8.408 18081 9481 1 15 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.496 0.326 18081 9482 1 15 . 1 1 61 61 ILE C C 61 175.267 175.267 175.698 -0.431 18081 9483 1 15 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.408 -0.985 18081 9484 1 15 . 1 1 61 61 ILE CB C 61 35.752 35.752 37.894 -2.142 18081 9485 1 15 . 1 1 61 61 ILE H H 61 9.103 9.103 8.414 0.689 18081 9486 1 15 . 1 1 62 62 VAL N N 62 127.879 127.879 124.200 3.679 18081 9487 1 15 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.768 -0.420 18081 9488 1 15 . 1 1 62 62 VAL C C 62 175.598 175.598 175.410 0.188 18081 9489 1 15 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.745 -0.002 18081 9490 1 15 . 1 1 62 62 VAL CB C 62 31.204 31.204 30.348 0.856 18081 9491 1 15 . 1 1 62 62 VAL H H 62 8.992 8.992 8.047 0.945 18081 9492 1 15 . 1 1 63 63 PHE N N 63 125.354 125.354 129.595 -4.241 18081 9493 1 15 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.575 0.418 18081 9494 1 15 . 1 1 63 63 PHE C C 63 175.507 175.507 175.881 -0.374 18081 9495 1 15 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.045 -1.238 18081 9496 1 15 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.122 -0.514 18081 9497 1 15 . 1 1 63 63 PHE H H 63 9.521 9.521 9.605 -0.084 18081 9498 1 15 . 1 1 64 64 LYS N N 64 123.471 123.471 122.710 0.761 18081 9499 1 15 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.186 -0.093 18081 9500 1 15 . 1 1 64 64 LYS C C 64 175.877 175.877 175.400 0.477 18081 9501 1 15 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.402 -1.021 18081 9502 1 15 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.300 -1.231 18081 9503 1 15 . 1 1 64 64 LYS H H 64 8.977 8.977 8.759 0.218 18081 9504 1 15 . 1 1 65 65 ILE N N 65 125.792 125.792 124.461 1.331 18081 9505 1 15 . 1 1 65 65 ILE HA H 65 5.803 5.803 4.861 0.942 18081 9506 1 15 . 1 1 65 65 ILE C C 65 175.724 175.724 175.207 0.517 18081 9507 1 15 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.202 -0.438 18081 9508 1 15 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.798 0.590 18081 9509 1 15 . 1 1 65 65 ILE H H 65 9.390 9.390 8.838 0.552 18081 9510 1 15 . 1 1 66 66 THR N N 66 119.455 119.455 117.076 2.379 18081 9511 1 15 . 1 1 66 66 THR HA H 66 4.583 4.583 4.180 0.403 18081 9512 1 15 . 1 1 66 66 THR C C 66 170.978 170.978 172.570 -1.592 18081 9513 1 15 . 1 1 66 66 THR CA C 66 61.233 61.233 61.422 -0.189 18081 9514 1 15 . 1 1 66 66 THR CB C 66 70.456 70.456 69.223 1.233 18081 9515 1 15 . 1 1 66 66 THR H H 66 8.176 8.176 8.066 0.110 18081 9516 1 15 . 1 1 67 67 SER N N 67 115.523 115.523 121.891 -6.368 18081 9517 1 15 . 1 1 67 67 SER HA H 67 6.316 6.316 5.123 1.193 18081 9518 1 15 . 1 1 67 67 SER C C 67 174.516 174.516 172.902 1.614 18081 9519 1 15 . 1 1 67 67 SER CA C 67 51.222 51.222 54.882 -3.659 18081 9520 1 15 . 1 1 67 67 SER CB C 67 66.501 66.501 65.520 0.981 18081 9521 1 15 . 1 1 67 67 SER H H 67 7.190 7.190 7.859 -0.669 18081 9522 1 15 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.274 0.554 18081 9523 1 15 . 1 1 68 68 PRO C C 68 174.360 174.360 176.218 -1.858 18081 9524 1 15 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.961 -2.393 18081 9525 1 15 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.121 0.368 18081 9526 1 15 . 1 1 69 69 ASP N N 69 120.505 120.505 116.696 3.809 18081 9527 1 15 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.714 0.034 18081 9528 1 15 . 1 1 69 69 ASP C C 69 173.775 173.775 174.753 -0.978 18081 9529 1 15 . 1 1 69 69 ASP CA C 69 55.449 55.449 53.888 1.561 18081 9530 1 15 . 1 1 69 69 ASP CB C 69 41.981 41.981 41.374 0.607 18081 9531 1 15 . 1 1 69 69 ASP H H 69 8.594 8.594 8.152 0.442 18081 9532 1 15 . 1 1 70 70 VAL N N 70 120.074 120.074 114.604 5.470 18081 9533 1 15 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.497 0.077 18081 9534 1 15 . 1 1 70 70 VAL C C 70 174.866 174.866 174.040 0.826 18081 9535 1 15 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.342 -1.111 18081 9536 1 15 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.082 -0.022 18081 9537 1 15 . 1 1 70 70 VAL H H 70 10.855 10.855 7.655 3.200 18081 9538 1 15 . 1 1 71 71 ILE N N 71 121.272 121.272 121.310 -0.038 18081 9539 1 15 . 1 1 71 71 ILE HA H 71 4.438 4.438 3.710 0.728 18081 9540 1 15 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.669 1.765 18081 9541 1 15 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.751 0.770 18081 9542 1 15 . 1 1 71 71 ILE H H 71 7.670 7.670 8.195 -0.525 18081 9543 1 15 . 1 1 73 73 GLY C C 73 172.580 172.580 172.561 0.019 18081 9544 1 15 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.631 -0.217 18081 9545 1 15 . 1 1 74 74 PHE N N 74 123.714 123.714 119.751 3.963 18081 9546 1 15 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.062 -0.777 18081 9547 1 15 . 1 1 74 74 PHE C C 74 171.502 171.502 173.661 -2.159 18081 9548 1 15 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.775 3.922 18081 9549 1 15 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.465 -0.670 18081 9550 1 15 . 1 1 74 74 PHE H H 74 8.712 8.712 7.399 1.313 18081 9551 1 15 . 1 1 75 75 HIS N N 75 124.835 124.835 122.126 2.709 18081 9552 1 15 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.726 0.732 18081 9553 1 15 . 1 1 75 75 HIS C C 75 172.817 172.817 173.659 -0.842 18081 9554 1 15 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.932 -3.509 18081 9555 1 15 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.613 -2.090 18081 9556 1 15 . 1 1 75 75 HIS H H 75 7.786 7.786 8.613 -0.827 18081 9557 1 15 . 1 1 76 76 VAL N N 76 124.569 124.569 124.981 -0.412 18081 9558 1 15 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.879 0.414 18081 9559 1 15 . 1 1 76 76 VAL C C 76 175.843 175.843 174.411 1.432 18081 9560 1 15 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.993 0.706 18081 9561 1 15 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.691 -5.322 18081 9562 1 15 . 1 1 76 76 VAL H H 76 6.558 6.558 7.924 -1.366 18081 9563 1 15 . 1 1 77 77 GLU N N 77 132.091 132.091 123.205 8.886 18081 9564 1 15 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.013 -0.124 18081 9565 1 15 . 1 1 77 77 GLU C C 77 176.941 176.941 177.917 -0.976 18081 9566 1 15 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.756 1.941 18081 9567 1 15 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.448 -0.233 18081 9568 1 15 . 1 1 77 77 GLU H H 77 8.977 8.977 7.967 1.010 18081 9569 1 15 . 1 1 78 78 GLY N N 78 111.143 111.143 107.899 3.244 18081 9570 1 15 . 1 1 78 78 GLY C C 78 174.152 174.152 174.462 -0.310 18081 9571 1 15 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.611 -0.352 18081 9572 1 15 . 1 1 78 78 GLY H H 78 8.052 8.052 8.660 -0.608 18081 9573 1 15 . 1 1 79 79 THR N N 79 109.705 109.705 115.813 -6.108 18081 9574 1 15 . 1 1 79 79 THR HA H 79 4.949 4.949 4.451 0.498 18081 9575 1 15 . 1 1 79 79 THR C C 79 173.397 173.397 172.828 0.569 18081 9576 1 15 . 1 1 79 79 THR CA C 79 60.076 60.076 60.988 -0.912 18081 9577 1 15 . 1 1 79 79 THR CB C 79 72.829 72.829 71.900 0.929 18081 9578 1 15 . 1 1 79 79 THR H H 79 7.810 7.810 7.748 0.062 18081 9579 1 15 . 1 1 80 80 ASN N N 80 116.427 116.427 122.414 -5.987 18081 9580 1 15 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.588 0.332 18081 9581 1 15 . 1 1 80 80 ASN C C 80 175.665 175.665 174.938 0.727 18081 9582 1 15 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.662 -0.639 18081 9583 1 15 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.618 -0.086 18081 9584 1 15 . 1 1 80 80 ASN H H 80 7.856 7.856 8.775 -0.919 18081 9585 1 15 . 1 1 81 81 ILE N N 81 121.552 121.552 121.879 -0.327 18081 9586 1 15 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.714 0.083 18081 9587 1 15 . 1 1 81 81 ILE C C 81 176.564 176.564 174.614 1.950 18081 9588 1 15 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.940 0.583 18081 9589 1 15 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.485 -0.384 18081 9590 1 15 . 1 1 81 81 ILE H H 81 8.493 8.493 7.817 0.676 18081 9591 1 15 . 1 1 82 82 ASN N N 82 131.507 131.507 126.750 4.757 18081 9592 1 15 . 1 1 82 82 ASN HA H 82 5.151 5.151 5.123 0.028 18081 9593 1 15 . 1 1 82 82 ASN C C 82 173.025 173.025 174.497 -1.472 18081 9594 1 15 . 1 1 82 82 ASN CA C 82 54.267 54.267 52.344 1.923 18081 9595 1 15 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.275 0.531 18081 9596 1 15 . 1 1 82 82 ASN H H 82 8.911 8.911 8.270 0.641 18081 9597 1 15 . 1 1 83 83 VAL N N 83 120.866 120.866 120.095 0.771 18081 9598 1 15 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.481 0.183 18081 9599 1 15 . 1 1 83 83 VAL C C 83 173.954 173.954 173.868 0.086 18081 9600 1 15 . 1 1 83 83 VAL CA C 83 60.120 60.120 60.672 -0.552 18081 9601 1 15 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.179 2.474 18081 9602 1 15 . 1 1 83 83 VAL H H 83 8.356 8.356 8.611 -0.255 18081 9603 1 15 . 1 1 84 84 GLU N N 84 125.997 125.997 126.676 -0.679 18081 9604 1 15 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.491 0.096 18081 9605 1 15 . 1 1 84 84 GLU C C 84 174.600 174.600 174.714 -0.114 18081 9606 1 15 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.328 -0.301 18081 9607 1 15 . 1 1 84 84 GLU CB C 84 30.809 30.809 32.120 -1.311 18081 9608 1 15 . 1 1 84 84 GLU H H 84 8.534 8.534 8.432 0.102 18081 9609 1 15 . 1 1 85 85 VAL N N 85 125.888 125.888 123.878 2.010 18081 9610 1 15 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.404 -0.355 18081 9611 1 15 . 1 1 85 85 VAL C C 85 173.256 173.256 174.466 -1.210 18081 9612 1 15 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.816 0.700 18081 9613 1 15 . 1 1 85 85 VAL CB C 85 32.786 32.786 36.246 -3.460 18081 9614 1 15 . 1 1 85 85 VAL H H 85 8.782 8.782 8.516 0.266 18081 9615 1 15 . 1 1 86 86 LEU N N 86 128.745 128.745 120.896 7.849 18081 9616 1 15 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.656 0.145 18081 9617 1 15 . 1 1 86 86 LEU CA C 86 51.934 51.934 52.387 -0.453 18081 9618 1 15 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.083 1.327 18081 9619 1 15 . 1 1 86 86 LEU H H 86 9.131 9.131 8.209 0.922 18081 9620 1 15 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.438 0.226 18081 9621 1 15 . 1 1 87 87 PRO C C 87 178.454 178.454 177.906 0.548 18081 9622 1 15 . 1 1 87 87 PRO CA C 87 62.612 62.612 62.930 -0.318 18081 9623 1 15 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.492 -1.288 18081 9624 1 15 . 1 1 88 88 GLY N N 88 112.804 112.804 108.761 4.043 18081 9625 1 15 . 1 1 88 88 GLY C C 88 173.451 173.451 173.059 0.392 18081 9626 1 15 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.098 -0.016 18081 9627 1 15 . 1 1 88 88 GLY H H 88 9.103 9.103 8.683 0.420 18081 9628 1 15 . 1 1 89 89 GLU N N 89 118.355 118.355 116.419 1.936 18081 9629 1 15 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.800 0.300 18081 9630 1 15 . 1 1 89 89 GLU C C 89 176.719 176.719 174.282 2.437 18081 9631 1 15 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.631 -0.384 18081 9632 1 15 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.316 -0.453 18081 9633 1 15 . 1 1 89 89 GLU H H 89 7.764 7.764 7.440 0.324 18081 9634 1 15 . 1 1 90 90 VAL N N 90 127.142 127.142 122.804 4.338 18081 9635 1 15 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.348 -0.848 18081 9636 1 15 . 1 1 90 90 VAL C C 90 176.838 176.838 174.953 1.885 18081 9637 1 15 . 1 1 90 90 VAL CA C 90 61.856 61.856 59.830 2.026 18081 9638 1 15 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.987 -0.849 18081 9639 1 15 . 1 1 90 90 VAL H H 90 8.830 8.830 8.638 0.192 18081 9640 1 15 . 1 1 91 91 SER N N 91 127.859 127.859 124.356 3.503 18081 9641 1 15 . 1 1 91 91 SER HA H 91 4.924 4.924 4.721 0.203 18081 9642 1 15 . 1 1 91 91 SER C C 91 173.015 173.015 173.622 -0.607 18081 9643 1 15 . 1 1 91 91 SER CA C 91 58.118 58.118 58.083 0.035 18081 9644 1 15 . 1 1 91 91 SER CB C 91 63.931 63.931 64.407 -0.476 18081 9645 1 15 . 1 1 91 91 SER H H 91 9.710 9.710 8.426 1.284 18081 9646 1 15 . 1 1 92 92 THR N N 92 122.627 122.627 117.216 5.411 18081 9647 1 15 . 1 1 92 92 THR HA H 92 5.682 5.682 5.088 0.594 18081 9648 1 15 . 1 1 92 92 THR C C 92 174.480 174.480 173.391 1.089 18081 9649 1 15 . 1 1 92 92 THR CA C 92 61.856 61.856 61.952 -0.096 18081 9650 1 15 . 1 1 92 92 THR CB C 92 70.160 70.160 70.052 0.108 18081 9651 1 15 . 1 1 92 92 THR H H 92 8.864 8.864 8.298 0.566 18081 9652 1 15 . 1 1 93 93 VAL N N 93 126.698 126.698 126.201 0.497 18081 9653 1 15 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.577 -0.070 18081 9654 1 15 . 1 1 93 93 VAL C C 93 173.002 173.002 173.885 -0.883 18081 9655 1 15 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.443 0.211 18081 9656 1 15 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.826 -0.173 18081 9657 1 15 . 1 1 93 93 VAL H H 93 8.806 8.806 8.587 0.219 18081 9658 1 15 . 1 1 94 94 ARG N N 94 126.396 126.396 126.349 0.047 18081 9659 1 15 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.545 0.345 18081 9660 1 15 . 1 1 94 94 ARG C C 94 175.885 175.885 175.656 0.229 18081 9661 1 15 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.298 0.083 18081 9662 1 15 . 1 1 94 94 ARG CB C 94 32.588 32.588 32.162 0.426 18081 9663 1 15 . 1 1 94 94 ARG H H 94 8.630 8.630 8.573 0.057 18081 9664 1 15 . 1 1 95 95 TYR N N 95 126.390 126.390 124.893 1.497 18081 9665 1 15 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.690 -0.370 18081 9666 1 15 . 1 1 95 95 TYR C C 95 172.683 172.683 173.948 -1.265 18081 9667 1 15 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.512 1.074 18081 9668 1 15 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.094 4.359 18081 9669 1 15 . 1 1 95 95 TYR H H 95 9.623 9.623 8.559 1.064 18081 9670 1 15 . 1 1 96 96 THR N N 96 121.396 121.396 120.333 1.063 18081 9671 1 15 . 1 1 96 96 THR HA H 96 4.684 4.684 4.530 0.154 18081 9672 1 15 . 1 1 96 96 THR C C 96 172.729 172.729 173.415 -0.686 18081 9673 1 15 . 1 1 96 96 THR CA C 96 61.322 61.322 61.532 -0.210 18081 9674 1 15 . 1 1 96 96 THR CB C 96 70.160 70.160 70.207 -0.047 18081 9675 1 15 . 1 1 96 96 THR H H 96 6.742 6.742 8.061 -1.319 18081 9676 1 15 . 1 1 97 97 PHE N N 97 126.539 126.539 125.272 1.267 18081 9677 1 15 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.385 0.068 18081 9678 1 15 . 1 1 97 97 PHE C C 97 176.075 176.075 175.865 0.210 18081 9679 1 15 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.585 0.622 18081 9680 1 15 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.491 -1.583 18081 9681 1 15 . 1 1 97 97 PHE H H 97 8.933 8.933 8.547 0.386 18081 9682 1 15 . 1 1 98 98 LYS N N 98 123.417 123.417 118.091 5.326 18081 9683 1 15 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.418 -0.025 18081 9684 1 15 . 1 1 98 98 LYS C C 98 175.939 175.939 175.472 0.467 18081 9685 1 15 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.450 0.333 18081 9686 1 15 . 1 1 98 98 LYS CB C 98 32.984 32.984 34.077 -1.093 18081 9687 1 15 . 1 1 98 98 LYS H H 98 8.604 8.604 8.399 0.205 18081 9688 1 15 . 1 1 99 99 ARG N N 99 118.424 118.424 119.731 -1.307 18081 9689 1 15 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.754 0.266 18081 9690 1 15 . 1 1 99 99 ARG C C 99 174.332 174.332 173.128 1.204 18081 9691 1 15 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.390 -0.789 18081 9692 1 15 . 1 1 99 99 ARG CB C 99 31.600 31.600 29.745 1.855 18081 9693 1 15 . 1 1 99 99 ARG H H 99 7.801 7.801 7.924 -0.123 18081 9694 1 15 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.467 -0.084 18081 9695 1 15 . 1 1 100 100 PRO C C 100 175.190 175.190 176.428 -1.238 18081 9696 1 15 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.674 -0.106 18081 9697 1 15 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.081 0.507 18081 9698 1 15 . 1 1 101 101 GLY N N 101 108.626 108.626 108.840 -0.214 18081 9699 1 15 . 1 1 101 101 GLY C C 101 171.375 171.375 171.901 -0.526 18081 9700 1 15 . 1 1 101 101 GLY CA C 101 44.103 44.103 45.051 -0.948 18081 9701 1 15 . 1 1 101 101 GLY H H 101 8.685 8.685 7.727 0.958 18081 9702 1 15 . 1 1 102 102 GLU N N 102 119.327 119.327 120.734 -1.407 18081 9703 1 15 . 1 1 102 102 GLU HA H 102 5.151 5.151 5.020 0.131 18081 9704 1 15 . 1 1 102 102 GLU C C 102 176.066 176.066 175.080 0.986 18081 9705 1 15 . 1 1 102 102 GLU CA C 102 55.404 55.404 54.821 0.583 18081 9706 1 15 . 1 1 102 102 GLU CB C 102 31.204 31.204 32.062 -0.858 18081 9707 1 15 . 1 1 102 102 GLU H H 102 8.144 8.144 8.380 -0.236 18081 9708 1 15 . 1 1 103 103 TYR N N 103 125.807 125.807 120.671 5.136 18081 9709 1 15 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.913 -0.267 18081 9710 1 15 . 1 1 103 103 TYR C C 103 174.711 174.711 173.738 0.973 18081 9711 1 15 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.819 -0.481 18081 9712 1 15 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.691 -0.502 18081 9713 1 15 . 1 1 103 103 TYR H H 103 9.687 9.687 8.653 1.034 18081 9714 1 15 . 1 1 104 104 ARG N N 104 124.463 124.463 120.648 3.815 18081 9715 1 15 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.031 -0.404 18081 9716 1 15 . 1 1 104 104 ARG C C 104 174.570 174.570 174.778 -0.208 18081 9717 1 15 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.010 1.755 18081 9718 1 15 . 1 1 104 104 ARG CB C 104 31.698 31.698 33.118 -1.421 18081 9719 1 15 . 1 1 104 104 ARG H H 104 8.902 8.902 8.512 0.390 18081 9720 1 15 . 1 1 105 105 ILE N N 105 124.589 124.589 116.632 7.957 18081 9721 1 15 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.038 0.331 18081 9722 1 15 . 1 1 105 105 ILE C C 105 175.576 175.576 173.606 1.970 18081 9723 1 15 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.615 -1.680 18081 9724 1 15 . 1 1 105 105 ILE CB C 105 39.811 39.811 38.380 1.431 18081 9725 1 15 . 1 1 105 105 ILE H H 105 8.289 8.289 8.490 -0.201 18081 9726 1 15 . 1 1 106 106 ILE N N 106 121.777 121.777 123.160 -1.383 18081 9727 1 15 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.586 0.452 18081 9728 1 15 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.035 -0.812 18081 9729 1 15 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.853 2.622 18081 9730 1 15 . 1 1 106 106 ILE H H 106 8.765 8.765 8.638 0.127 18081 9731 1 15 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.006 0.116 18081 9732 1 15 . 1 1 109 109 GLN C C 109 175.724 175.724 174.256 1.468 18081 9733 1 15 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.714 -0.242 18081 9734 1 15 . 1 1 109 109 GLN CB C 109 29.128 29.128 28.112 1.016 18081 9735 1 15 . 1 1 110 110 TYR N N 110 120.856 120.856 115.328 5.528 18081 9736 1 15 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.254 0.235 18081 9737 1 15 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.949 -0.964 18081 9738 1 15 . 1 1 110 110 TYR CB C 110 37.927 37.927 36.837 1.090 18081 9739 1 15 . 1 1 110 110 TYR H H 110 8.191 8.191 8.321 -0.130 18081 9740 1 15 . 1 1 111 111 CYS N N 111 120.561 120.561 119.616 0.945 18081 9741 1 15 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.332 0.051 18081 9742 1 15 . 1 1 111 111 CYS C C 111 174.692 174.692 173.606 1.086 18081 9743 1 15 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.353 -0.736 18081 9744 1 15 . 1 1 111 111 CYS CB C 111 27.976 27.976 29.247 -1.271 18081 9745 1 15 . 1 1 111 111 CYS H H 111 8.166 8.166 8.269 -0.103 18081 9746 1 15 . 1 1 112 112 GLY N N 112 111.467 111.467 109.593 1.874 18081 9747 1 15 . 1 1 112 112 GLY C C 112 173.900 173.900 172.397 1.503 18081 9748 1 15 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.181 -0.036 18081 9749 1 15 . 1 1 112 112 GLY H H 112 8.239 8.239 8.143 0.096 18081 9750 1 15 . 1 1 113 113 LEU N N 113 122.150 122.150 123.361 -1.211 18081 9751 1 15 . 1 1 113 113 LEU HA H 113 4.324 4.324 3.963 0.360 18081 9752 1 15 . 1 1 113 113 LEU C C 113 178.068 178.068 176.626 1.442 18081 9753 1 15 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.296 -0.578 18081 9754 1 15 . 1 1 113 113 LEU CB C 113 42.079 42.079 41.705 0.374 18081 9755 1 15 . 1 1 113 113 LEU H H 113 8.179 8.179 8.031 0.148 18081 9756 1 15 . 1 1 114 114 GLY N N 114 109.278 109.278 115.217 -5.939 18081 9757 1 15 . 1 1 114 114 GLY C C 114 174.142 174.142 174.020 0.122 18081 9758 1 15 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.337 0.012 18081 9759 1 15 . 1 1 114 114 GLY H H 114 8.393 8.393 8.332 0.061 18081 9760 1 15 . 1 1 117 117 ASN N N 117 120.387 120.387 112.853 7.534 18081 9761 1 15 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.902 -0.224 18081 9762 1 15 . 1 1 117 117 ASN C C 117 174.422 174.422 173.042 1.380 18081 9763 1 15 . 1 1 117 117 ASN CA C 117 53.179 53.179 52.878 0.301 18081 9764 1 15 . 1 1 117 117 ASN CB C 117 39.015 39.015 39.253 -0.238 18081 9765 1 15 . 1 1 117 117 ASN H H 117 8.522 8.522 7.531 0.991 18081 9766 1 15 . 1 1 118 118 MET N N 118 120.526 120.526 116.867 3.659 18081 9767 1 15 . 1 1 118 118 MET C C 118 173.321 173.321 174.273 -0.952 18081 9768 1 15 . 1 1 118 118 MET CA C 118 55.360 55.360 54.015 1.345 18081 9769 1 15 . 1 1 118 118 MET CB C 118 34.467 34.467 37.052 -2.585 18081 9770 1 15 . 1 1 118 118 MET H H 118 7.981 7.981 8.272 -0.291 18081 9771 1 15 . 1 1 119 119 PHE N N 119 119.704 119.704 119.424 0.280 18081 9772 1 15 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.789 1.033 18081 9773 1 15 . 1 1 119 119 PHE C C 119 174.894 174.894 176.199 -1.305 18081 9774 1 15 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.693 -0.577 18081 9775 1 15 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.319 3.058 18081 9776 1 15 . 1 1 119 119 PHE H H 119 8.068 8.068 8.156 -0.088 18081 9777 1 15 . 1 1 120 120 GLY N N 120 109.869 109.869 111.994 -2.125 18081 9778 1 15 . 1 1 120 120 GLY C C 120 172.817 172.817 173.374 -0.557 18081 9779 1 15 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.003 0.278 18081 9780 1 15 . 1 1 120 120 GLY H H 120 8.984 8.984 8.708 0.276 18081 9781 1 15 . 1 1 121 121 THR N N 121 115.820 115.820 119.274 -3.454 18081 9782 1 15 . 1 1 121 121 THR HA H 121 5.068 5.068 4.668 0.400 18081 9783 1 15 . 1 1 121 121 THR C C 121 173.062 173.062 173.674 -0.612 18081 9784 1 15 . 1 1 121 121 THR CA C 121 62.745 62.745 62.368 0.377 18081 9785 1 15 . 1 1 121 121 THR CB C 121 72.533 72.533 69.748 2.785 18081 9786 1 15 . 1 1 121 121 THR H H 121 8.123 8.123 8.512 -0.389 18081 9787 1 15 . 1 1 122 122 ILE N N 122 127.420 127.420 123.147 4.273 18081 9788 1 15 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.261 0.574 18081 9789 1 15 . 1 1 122 122 ILE C C 122 174.260 174.260 172.844 1.416 18081 9790 1 15 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.259 -0.183 18081 9791 1 15 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.646 -2.247 18081 9792 1 15 . 1 1 122 122 ILE H H 122 9.152 9.152 8.521 0.631 18081 9793 1 15 . 1 1 123 123 VAL N N 123 130.032 130.032 125.423 4.609 18081 9794 1 15 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.622 -0.243 18081 9795 1 15 . 1 1 123 123 VAL C C 123 174.012 174.012 173.272 0.740 18081 9796 1 15 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.576 2.235 18081 9797 1 15 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.725 -2.445 18081 9798 1 15 . 1 1 123 123 VAL H H 123 9.601 9.601 8.217 1.384 18081 9799 1 15 . 1 1 124 124 VAL N N 124 128.765 128.765 128.790 -0.025 18081 9800 1 15 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.429 0.270 18081 9801 1 15 . 1 1 124 124 VAL C C 124 177.239 177.239 175.374 1.865 18081 9802 1 15 . 1 1 124 124 VAL CA C 124 60.565 60.565 59.118 1.447 18081 9803 1 15 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.494 -1.191 18081 9804 1 15 . 1 1 124 124 VAL H H 124 9.056 9.056 8.561 0.495 18081 9805 1 15 . 1 1 125 125 LYS N N 125 129.953 129.953 128.189 1.764 18081 9806 1 15 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.486 -0.145 18081 9807 1 15 . 1 1 125 125 LYS C C 125 175.317 175.317 175.815 -0.498 18081 9808 1 15 . 1 1 125 125 LYS CA C 125 55.449 55.449 54.396 1.053 18081 9809 1 15 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.602 0.975 18081 9810 1 15 . 1 1 125 125 LYS H H 125 8.854 8.854 8.634 0.220 18081 9811 1 16 . 1 1 2 2 VAL N N 2 126.137 126.137 120.574 5.563 18081 9812 1 16 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.289 -0.263 18081 9813 1 16 . 1 1 2 2 VAL C C 2 176.484 176.484 174.934 1.550 18081 9814 1 16 . 1 1 2 2 VAL CA C 2 62.568 62.568 61.167 1.401 18081 9815 1 16 . 1 1 2 2 VAL CB C 2 32.391 32.391 32.339 0.052 18081 9816 1 16 . 1 1 2 2 VAL H H 2 8.035 8.035 7.610 0.425 18081 9817 1 16 . 1 1 3 3 ILE N N 3 124.059 124.059 119.479 4.580 18081 9818 1 16 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.769 -0.274 18081 9819 1 16 . 1 1 3 3 ILE C C 3 174.606 174.606 174.404 0.202 18081 9820 1 16 . 1 1 3 3 ILE CA C 3 58.385 58.385 59.217 -0.832 18081 9821 1 16 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.265 0.256 18081 9822 1 16 . 1 1 3 3 ILE H H 3 7.856 7.856 8.251 -0.395 18081 9823 1 16 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.504 -0.131 18081 9824 1 16 . 1 1 4 4 PRO C C 4 176.585 176.585 176.152 0.433 18081 9825 1 16 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.590 0.600 18081 9826 1 16 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.558 -0.594 18081 9827 1 16 . 1 1 5 5 ALA N N 5 125.371 125.371 121.852 3.519 18081 9828 1 16 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.627 -0.340 18081 9829 1 16 . 1 1 5 5 ALA C C 5 178.454 178.454 176.272 2.182 18081 9830 1 16 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.141 0.594 18081 9831 1 16 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.691 -0.648 18081 9832 1 16 . 1 1 5 5 ALA H H 5 8.458 8.458 8.442 0.016 18081 9833 1 16 . 1 1 6 6 GLY N N 6 108.626 108.626 108.767 -0.141 18081 9834 1 16 . 1 1 6 6 GLY C C 6 173.996 173.996 173.969 0.027 18081 9835 1 16 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.948 -0.777 18081 9836 1 16 . 1 1 6 6 GLY H H 6 8.378 8.378 8.622 -0.244 18081 9837 1 16 . 1 1 7 7 LYS N N 7 121.320 121.320 122.402 -1.082 18081 9838 1 16 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.827 -0.498 18081 9839 1 16 . 1 1 7 7 LYS C C 7 176.362 176.362 175.874 0.488 18081 9840 1 16 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.235 0.881 18081 9841 1 16 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.516 -0.532 18081 9842 1 16 . 1 1 7 7 LYS H H 7 7.976 7.976 8.292 -0.316 18081 9843 1 16 . 1 1 8 8 LEU N N 8 124.548 124.548 120.223 4.325 18081 9844 1 16 . 1 1 8 8 LEU HA H 8 4.391 4.391 3.973 0.418 18081 9845 1 16 . 1 1 8 8 LEU C C 8 176.772 176.772 175.430 1.342 18081 9846 1 16 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.515 -0.333 18081 9847 1 16 . 1 1 8 8 LEU CB C 8 42.475 42.475 41.519 0.956 18081 9848 1 16 . 1 1 8 8 LEU H H 8 8.283 8.283 8.704 -0.421 18081 9849 1 16 . 1 1 9 9 GLU N N 9 124.888 124.888 119.519 5.369 18081 9850 1 16 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.657 -0.267 18081 9851 1 16 . 1 1 9 9 GLU C C 9 174.919 174.919 175.225 -0.306 18081 9852 1 16 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.346 1.126 18081 9853 1 16 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.748 -2.137 18081 9854 1 16 . 1 1 9 9 GLU H H 9 8.679 8.679 8.604 0.075 18081 9855 1 16 . 1 1 10 10 ARG N N 10 123.557 123.557 125.274 -1.717 18081 9856 1 16 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.486 0.486 18081 9857 1 16 . 1 1 10 10 ARG C C 10 175.727 175.727 175.637 0.090 18081 9858 1 16 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.884 -0.799 18081 9859 1 16 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.657 0.888 18081 9860 1 16 . 1 1 10 10 ARG H H 10 8.248 8.248 8.748 -0.500 18081 9861 1 16 . 1 1 11 11 VAL N N 11 118.077 118.077 117.056 1.021 18081 9862 1 16 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.598 -0.218 18081 9863 1 16 . 1 1 11 11 VAL C C 11 173.297 173.297 174.196 -0.899 18081 9864 1 16 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.684 -0.098 18081 9865 1 16 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.924 -0.161 18081 9866 1 16 . 1 1 11 11 VAL H H 11 8.039 8.039 7.843 0.196 18081 9867 1 16 . 1 1 12 12 ASP N N 12 123.786 123.786 117.645 6.141 18081 9868 1 16 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.058 -0.107 18081 9869 1 16 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.644 -1.045 18081 9870 1 16 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.824 -2.436 18081 9871 1 16 . 1 1 12 12 ASP H H 12 8.313 8.313 8.168 0.144 18081 9872 1 16 . 1 1 13 13 PRO C C 13 177.705 177.705 177.802 -0.097 18081 9873 1 16 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.109 0.630 18081 9874 1 16 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.925 -0.303 18081 9875 1 16 . 1 1 14 14 THR N N 14 109.188 109.188 114.870 -5.682 18081 9876 1 16 . 1 1 14 14 THR HA H 14 4.252 4.252 4.011 0.241 18081 9877 1 16 . 1 1 14 14 THR C C 14 176.733 176.733 175.561 1.172 18081 9878 1 16 . 1 1 14 14 THR CA C 14 63.996 63.996 65.523 -1.527 18081 9879 1 16 . 1 1 14 14 THR CB C 14 69.270 69.270 68.586 0.684 18081 9880 1 16 . 1 1 14 14 THR H H 14 8.413 8.413 8.078 0.335 18081 9881 1 16 . 1 1 15 15 THR N N 15 108.904 108.904 108.061 0.843 18081 9882 1 16 . 1 1 15 15 THR HA H 15 4.733 4.733 4.504 0.229 18081 9883 1 16 . 1 1 15 15 THR C C 15 177.174 177.174 174.880 2.294 18081 9884 1 16 . 1 1 15 15 THR CA C 15 61.589 61.589 61.000 0.589 18081 9885 1 16 . 1 1 15 15 THR CB C 15 70.654 70.654 70.079 0.575 18081 9886 1 16 . 1 1 15 15 THR H H 15 7.413 7.413 7.864 -0.451 18081 9887 1 16 . 1 1 16 16 VAL N N 16 122.387 122.387 123.029 -0.642 18081 9888 1 16 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.749 0.449 18081 9889 1 16 . 1 1 16 16 VAL C C 16 175.683 175.683 175.226 0.457 18081 9890 1 16 . 1 1 16 16 VAL CA C 16 64.452 64.452 65.458 -1.006 18081 9891 1 16 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.933 -0.432 18081 9892 1 16 . 1 1 16 16 VAL H H 16 7.143 7.143 7.391 -0.248 18081 9893 1 16 . 1 1 17 17 ARG N N 17 115.917 115.917 115.715 0.202 18081 9894 1 16 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.455 -0.184 18081 9895 1 16 . 1 1 17 17 ARG C C 17 175.861 175.861 178.378 -2.517 18081 9896 1 16 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.587 -0.537 18081 9897 1 16 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.185 -0.159 18081 9898 1 16 . 1 1 17 17 ARG H H 17 8.227 8.227 8.195 0.032 18081 9899 1 16 . 1 1 18 18 GLN N N 18 117.044 117.044 118.294 -1.250 18081 9900 1 16 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.274 0.125 18081 9901 1 16 . 1 1 18 18 GLN C C 18 175.506 175.506 175.726 -0.220 18081 9902 1 16 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.650 -0.511 18081 9903 1 16 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.251 1.558 18081 9904 1 16 . 1 1 18 18 GLN H H 18 7.765 7.765 8.132 -0.367 18081 9905 1 16 . 1 1 19 19 GLU N N 19 118.659 118.659 118.222 0.437 18081 9906 1 16 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.427 0.132 18081 9907 1 16 . 1 1 19 19 GLU C C 19 175.081 175.081 175.045 0.036 18081 9908 1 16 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.719 -0.538 18081 9909 1 16 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.930 0.461 18081 9910 1 16 . 1 1 19 19 GLU H H 19 8.070 8.070 8.102 -0.032 18081 9911 1 16 . 1 1 20 20 GLY N N 20 113.694 113.694 111.617 2.077 18081 9912 1 16 . 1 1 20 20 GLY C C 20 174.150 174.150 172.449 1.701 18081 9913 1 16 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.779 -0.231 18081 9914 1 16 . 1 1 20 20 GLY H H 20 8.933 8.933 8.186 0.747 18081 9915 1 16 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.259 -0.586 18081 9916 1 16 . 1 1 21 21 PRO C C 21 176.703 176.703 176.837 -0.134 18081 9917 1 16 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.687 0.194 18081 9918 1 16 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.243 -1.206 18081 9919 1 16 . 1 1 22 22 TRP N N 22 117.898 117.898 116.484 1.414 18081 9920 1 16 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.691 -0.376 18081 9921 1 16 . 1 1 22 22 TRP C C 22 174.965 174.965 176.689 -1.724 18081 9922 1 16 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.931 2.590 18081 9923 1 16 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.902 0.369 18081 9924 1 16 . 1 1 22 22 TRP H H 22 8.759 8.759 8.177 0.582 18081 9925 1 16 . 1 1 23 23 ALA N N 23 120.887 120.887 122.104 -1.217 18081 9926 1 16 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.574 -0.650 18081 9927 1 16 . 1 1 23 23 ALA C C 23 177.520 177.520 178.369 -0.849 18081 9928 1 16 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.334 1.447 18081 9929 1 16 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.535 -0.987 18081 9930 1 16 . 1 1 23 23 ALA H H 23 7.232 7.232 7.125 0.107 18081 9931 1 16 . 1 1 24 24 ASP N N 24 115.176 115.176 118.206 -3.030 18081 9932 1 16 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.105 0.081 18081 9933 1 16 . 1 1 24 24 ASP C C 24 176.860 176.860 175.996 0.864 18081 9934 1 16 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.694 -2.074 18081 9935 1 16 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.339 -0.852 18081 9936 1 16 . 1 1 24 24 ASP H H 24 7.718 7.718 7.546 0.172 18081 9937 1 16 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.369 -0.070 18081 9938 1 16 . 1 1 25 25 PRO C C 25 177.445 177.445 177.397 0.048 18081 9939 1 16 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.606 -0.125 18081 9940 1 16 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.098 -0.202 18081 9941 1 16 . 1 1 26 26 ALA N N 26 120.150 120.150 118.921 1.229 18081 9942 1 16 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.232 0.073 18081 9943 1 16 . 1 1 26 26 ALA C C 26 179.061 179.061 177.632 1.429 18081 9944 1 16 . 1 1 26 26 ALA CA C 26 53.847 53.847 52.690 1.157 18081 9945 1 16 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.295 -0.043 18081 9946 1 16 . 1 1 26 26 ALA H H 26 8.158 8.158 8.380 -0.222 18081 9947 1 16 . 1 1 27 27 GLN N N 27 117.617 117.617 116.493 1.124 18081 9948 1 16 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.453 0.242 18081 9949 1 16 . 1 1 27 27 GLN C C 27 175.309 175.309 175.915 -0.606 18081 9950 1 16 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.191 -0.933 18081 9951 1 16 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.966 -0.234 18081 9952 1 16 . 1 1 27 27 GLN H H 27 7.732 7.732 7.452 0.280 18081 9953 1 16 . 1 1 28 28 ALA N N 28 122.069 122.069 123.503 -1.434 18081 9954 1 16 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.400 -0.019 18081 9955 1 16 . 1 1 28 28 ALA C C 28 176.358 176.358 177.897 -1.539 18081 9956 1 16 . 1 1 28 28 ALA CA C 28 55.582 55.582 53.968 1.614 18081 9957 1 16 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.374 1.547 18081 9958 1 16 . 1 1 28 28 ALA H H 28 6.996 6.996 7.385 -0.389 18081 9959 1 16 . 1 1 29 29 VAL N N 29 114.478 114.478 118.939 -4.461 18081 9960 1 16 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.004 0.703 18081 9961 1 16 . 1 1 29 29 VAL C C 29 176.252 176.252 175.979 0.273 18081 9962 1 16 . 1 1 29 29 VAL CA C 29 61.989 61.989 64.079 -2.090 18081 9963 1 16 . 1 1 29 29 VAL CB C 29 31.600 31.600 31.770 -0.171 18081 9964 1 16 . 1 1 29 29 VAL H H 29 7.868 7.868 8.168 -0.300 18081 9965 1 16 . 1 1 30 30 VAL N N 30 129.718 129.718 121.896 7.822 18081 9966 1 16 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.625 -0.238 18081 9967 1 16 . 1 1 30 30 VAL C C 30 175.107 175.107 174.538 0.569 18081 9968 1 16 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.108 0.635 18081 9969 1 16 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.414 -0.156 18081 9970 1 16 . 1 1 30 30 VAL H H 30 9.556 9.556 8.559 0.997 18081 9971 1 16 . 1 1 31 31 GLN N N 31 129.372 129.372 129.136 0.236 18081 9972 1 16 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.263 -0.122 18081 9973 1 16 . 1 1 31 31 GLN C C 31 176.413 176.413 175.551 0.862 18081 9974 1 16 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.583 0.467 18081 9975 1 16 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.635 -1.584 18081 9976 1 16 . 1 1 31 31 GLN H H 31 9.153 9.153 8.794 0.359 18081 9977 1 16 . 1 1 32 32 THR N N 32 119.775 119.775 121.423 -1.648 18081 9978 1 16 . 1 1 32 32 THR HA H 32 4.392 4.392 4.613 -0.221 18081 9979 1 16 . 1 1 32 32 THR C C 32 174.102 174.102 174.072 0.030 18081 9980 1 16 . 1 1 32 32 THR CA C 32 61.678 61.678 61.255 0.423 18081 9981 1 16 . 1 1 32 32 THR CB C 32 68.775 68.775 69.834 -1.059 18081 9982 1 16 . 1 1 32 32 THR H H 32 8.266 8.266 8.225 0.041 18081 9983 1 16 . 1 1 33 33 GLY N N 33 111.761 111.761 110.643 1.118 18081 9984 1 16 . 1 1 33 33 GLY C C 33 170.586 170.586 172.427 -1.841 18081 9985 1 16 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.441 1.641 18081 9986 1 16 . 1 1 33 33 GLY H H 33 7.997 7.997 7.367 0.630 18081 9987 1 16 . 1 1 34 34 PRO C C 34 176.674 176.674 176.495 0.179 18081 9988 1 16 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.414 0.467 18081 9989 1 16 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.210 -0.849 18081 9990 1 16 . 1 1 35 35 ASN N N 35 117.681 117.681 113.535 4.146 18081 9991 1 16 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.647 0.207 18081 9992 1 16 . 1 1 35 35 ASN C C 35 173.262 173.262 173.069 0.193 18081 9993 1 16 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.781 -0.658 18081 9994 1 16 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.473 0.283 18081 9995 1 16 . 1 1 35 35 ASN H H 35 8.649 8.649 8.269 0.380 18081 9996 1 16 . 1 1 36 36 GLN N N 36 119.276 119.276 117.159 2.117 18081 9997 1 16 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.886 0.681 18081 9998 1 16 . 1 1 36 36 GLN C C 36 173.292 173.292 173.750 -0.458 18081 9999 1 16 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.282 0.321 18081 10000 1 16 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.551 3.323 18081 10001 1 16 . 1 1 36 36 GLN H H 36 6.953 6.953 7.446 -0.493 18081 10002 1 16 . 1 1 37 37 TYR N N 37 125.339 125.339 124.339 1.000 18081 10003 1 16 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.762 0.302 18081 10004 1 16 . 1 1 37 37 TYR C C 37 174.321 174.321 175.654 -1.333 18081 10005 1 16 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.480 -0.008 18081 10006 1 16 . 1 1 37 37 TYR CB C 37 40.696 40.696 39.876 0.820 18081 10007 1 16 . 1 1 37 37 TYR H H 37 8.898 8.898 8.284 0.614 18081 10008 1 16 . 1 1 38 38 THR N N 38 121.935 121.935 121.207 0.728 18081 10009 1 16 . 1 1 38 38 THR HA H 38 5.098 5.098 4.480 0.618 18081 10010 1 16 . 1 1 38 38 THR C C 38 172.253 172.253 173.587 -1.334 18081 10011 1 16 . 1 1 38 38 THR CA C 38 61.589 61.589 62.604 -1.015 18081 10012 1 16 . 1 1 38 38 THR CB C 38 69.764 69.764 68.818 0.946 18081 10013 1 16 . 1 1 38 38 THR H H 38 9.592 9.592 8.994 0.598 18081 10014 1 16 . 1 1 39 39 VAL N N 39 126.189 126.189 123.444 2.745 18081 10015 1 16 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.551 0.550 18081 10016 1 16 . 1 1 39 39 VAL C C 39 174.612 174.612 173.574 1.038 18081 10017 1 16 . 1 1 39 39 VAL CA C 39 59.631 59.631 58.849 0.782 18081 10018 1 16 . 1 1 39 39 VAL CB C 39 34.071 34.071 33.021 1.050 18081 10019 1 16 . 1 1 39 39 VAL H H 39 8.710 8.710 7.774 0.936 18081 10020 1 16 . 1 1 40 40 TYR N N 40 130.243 130.243 125.968 4.275 18081 10021 1 16 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.859 -0.218 18081 10022 1 16 . 1 1 40 40 TYR C C 40 174.840 174.840 176.018 -1.178 18081 10023 1 16 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.801 1.851 18081 10024 1 16 . 1 1 40 40 TYR CB C 40 36.840 36.840 38.258 -1.418 18081 10025 1 16 . 1 1 40 40 TYR H H 40 9.139 9.139 8.208 0.931 18081 10026 1 16 . 1 1 41 41 VAL N N 41 124.415 124.415 120.734 3.681 18081 10027 1 16 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.611 0.729 18081 10028 1 16 . 1 1 41 41 VAL C C 41 175.680 175.680 174.707 0.973 18081 10029 1 16 . 1 1 41 41 VAL CA C 41 60.254 60.254 60.636 -0.382 18081 10030 1 16 . 1 1 41 41 VAL CB C 41 34.862 34.862 33.813 1.049 18081 10031 1 16 . 1 1 41 41 VAL H H 41 8.686 8.686 8.778 -0.092 18081 10032 1 16 . 1 1 42 42 LEU N N 42 129.148 129.148 129.429 -0.281 18081 10033 1 16 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.842 0.304 18081 10034 1 16 . 1 1 42 42 LEU C C 42 175.161 175.161 175.027 0.134 18081 10035 1 16 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.774 -0.995 18081 10036 1 16 . 1 1 42 42 LEU CB C 42 45.639 45.639 44.747 0.892 18081 10037 1 16 . 1 1 42 42 LEU H H 42 9.694 9.694 8.693 1.001 18081 10038 1 16 . 1 1 43 43 ALA N N 43 130.434 130.434 128.420 2.014 18081 10039 1 16 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.350 0.372 18081 10040 1 16 . 1 1 43 43 ALA C C 43 173.292 173.292 175.198 -1.906 18081 10041 1 16 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.841 -1.687 18081 10042 1 16 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.780 -0.650 18081 10043 1 16 . 1 1 43 43 ALA H H 43 8.679 8.679 7.932 0.747 18081 10044 1 16 . 1 1 44 44 PHE N N 44 118.472 118.472 118.609 -0.137 18081 10045 1 16 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.938 0.271 18081 10046 1 16 . 1 1 44 44 PHE C C 44 172.698 172.698 174.631 -1.933 18081 10047 1 16 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.810 -1.685 18081 10048 1 16 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.085 1.588 18081 10049 1 16 . 1 1 44 44 PHE H H 44 7.756 7.756 7.162 0.594 18081 10050 1 16 . 1 1 45 45 ALA N N 45 122.901 122.901 122.717 0.184 18081 10051 1 16 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.330 -0.917 18081 10052 1 16 . 1 1 45 45 ALA C C 45 177.267 177.267 177.256 0.011 18081 10053 1 16 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.559 -6.276 18081 10054 1 16 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.772 -2.992 18081 10055 1 16 . 1 1 45 45 ALA H H 45 9.739 9.739 8.780 0.959 18081 10056 1 16 . 1 1 46 46 PHE N N 46 128.515 128.515 121.374 7.141 18081 10057 1 16 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.533 0.687 18081 10058 1 16 . 1 1 46 46 PHE C C 46 173.387 173.387 175.330 -1.943 18081 10059 1 16 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.629 3.402 18081 10060 1 16 . 1 1 46 46 PHE CB C 46 40.399 40.399 37.477 2.922 18081 10061 1 16 . 1 1 46 46 PHE H H 46 7.994 7.994 8.509 -0.515 18081 10062 1 16 . 1 1 47 47 GLY N N 47 113.741 113.741 112.166 1.575 18081 10063 1 16 . 1 1 47 47 GLY C C 47 167.774 167.774 172.921 -5.147 18081 10064 1 16 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.955 0.280 18081 10065 1 16 . 1 1 47 47 GLY H H 47 7.796 7.796 7.704 0.092 18081 10066 1 16 . 1 1 48 48 TYR N N 48 119.637 119.637 122.909 -3.272 18081 10067 1 16 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.839 0.499 18081 10068 1 16 . 1 1 48 48 TYR C C 48 175.042 175.042 173.711 1.331 18081 10069 1 16 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.473 -1.179 18081 10070 1 16 . 1 1 48 48 TYR CB C 48 41.962 41.962 42.055 -0.093 18081 10071 1 16 . 1 1 48 48 TYR H H 48 8.370 8.370 8.683 -0.313 18081 10072 1 16 . 1 1 49 49 GLN N N 49 121.776 121.776 119.387 2.389 18081 10073 1 16 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.681 0.136 18081 10074 1 16 . 1 1 49 49 GLN CA C 49 52.334 52.334 54.149 -1.815 18081 10075 1 16 . 1 1 49 49 GLN CB C 49 33.874 33.874 29.400 4.474 18081 10076 1 16 . 1 1 49 49 GLN H H 49 9.163 9.163 8.317 0.846 18081 10077 1 16 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.660 0.082 18081 10078 1 16 . 1 1 50 50 PRO C C 50 174.271 174.271 175.975 -1.704 18081 10079 1 16 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.716 0.074 18081 10080 1 16 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.475 2.190 18081 10081 1 16 . 1 1 51 51 ASN N N 51 113.755 113.755 115.184 -1.429 18081 10082 1 16 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.045 0.035 18081 10083 1 16 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.435 -0.436 18081 10084 1 16 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.743 1.953 18081 10085 1 16 . 1 1 51 51 ASN H H 51 8.229 8.229 8.388 -0.159 18081 10086 1 16 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.441 0.830 18081 10087 1 16 . 1 1 52 52 PRO C C 52 176.525 176.525 175.777 0.748 18081 10088 1 16 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.921 0.670 18081 10089 1 16 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.429 4.478 18081 10090 1 16 . 1 1 53 53 ILE N N 53 120.452 120.452 123.101 -2.649 18081 10091 1 16 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.382 -0.316 18081 10092 1 16 . 1 1 53 53 ILE C C 53 174.236 174.236 174.759 -0.523 18081 10093 1 16 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.571 0.929 18081 10094 1 16 . 1 1 53 53 ILE CB C 53 39.905 39.905 41.440 -1.535 18081 10095 1 16 . 1 1 53 53 ILE H H 53 8.321 8.321 8.200 0.121 18081 10096 1 16 . 1 1 54 54 GLU N N 54 129.279 129.279 126.709 2.570 18081 10097 1 16 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.931 0.536 18081 10098 1 16 . 1 1 54 54 GLU C C 54 175.598 175.598 174.561 1.037 18081 10099 1 16 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.507 0.497 18081 10100 1 16 . 1 1 54 54 GLU CB C 54 30.907 30.907 33.809 -2.902 18081 10101 1 16 . 1 1 54 54 GLU H H 54 8.458 8.458 8.548 -0.090 18081 10102 1 16 . 1 1 55 55 VAL N N 55 115.767 115.767 120.952 -5.185 18081 10103 1 16 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.622 0.034 18081 10104 1 16 . 1 1 55 55 VAL C C 55 172.453 172.453 172.934 -0.481 18081 10105 1 16 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.762 -2.023 18081 10106 1 16 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.540 -0.568 18081 10107 1 16 . 1 1 55 55 VAL H H 55 8.492 8.492 8.208 0.284 18081 10108 1 16 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.802 -0.135 18081 10109 1 16 . 1 1 56 56 PRO C C 56 177.445 177.445 176.924 0.521 18081 10110 1 16 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.408 -0.730 18081 10111 1 16 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.595 0.400 18081 10112 1 16 . 1 1 57 57 GLN N N 57 122.020 122.020 124.836 -2.816 18081 10113 1 16 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.077 -0.187 18081 10114 1 16 . 1 1 57 57 GLN C C 57 176.735 176.735 176.806 -0.071 18081 10115 1 16 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.217 0.655 18081 10116 1 16 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.727 -0.885 18081 10117 1 16 . 1 1 57 57 GLN H H 57 8.466 8.466 8.195 0.271 18081 10118 1 16 . 1 1 58 58 GLY N N 58 112.805 112.805 109.657 3.148 18081 10119 1 16 . 1 1 58 58 GLY C C 58 172.686 172.686 173.364 -0.678 18081 10120 1 16 . 1 1 58 58 GLY CA C 58 46.372 46.372 44.884 1.488 18081 10121 1 16 . 1 1 58 58 GLY H H 58 8.713 8.713 8.392 0.321 18081 10122 1 16 . 1 1 59 59 ALA N N 59 122.839 122.839 122.386 0.453 18081 10123 1 16 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.523 0.028 18081 10124 1 16 . 1 1 59 59 ALA C C 59 176.659 176.659 175.063 1.596 18081 10125 1 16 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.890 -0.158 18081 10126 1 16 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.847 -1.123 18081 10127 1 16 . 1 1 59 59 ALA H H 59 6.982 6.982 7.278 -0.296 18081 10128 1 16 . 1 1 60 60 GLU N N 60 123.390 123.390 118.958 4.432 18081 10129 1 16 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.382 -0.075 18081 10130 1 16 . 1 1 60 60 GLU C C 60 173.876 173.876 175.442 -1.566 18081 10131 1 16 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.641 0.187 18081 10132 1 16 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.758 -0.444 18081 10133 1 16 . 1 1 60 60 GLU H H 60 8.260 8.260 8.133 0.127 18081 10134 1 16 . 1 1 61 61 ILE N N 61 130.883 130.883 122.111 8.772 18081 10135 1 16 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.390 0.432 18081 10136 1 16 . 1 1 61 61 ILE C C 61 175.267 175.267 175.305 -0.038 18081 10137 1 16 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.297 -0.874 18081 10138 1 16 . 1 1 61 61 ILE CB C 61 35.752 35.752 38.904 -3.152 18081 10139 1 16 . 1 1 61 61 ILE H H 61 9.103 9.103 8.331 0.772 18081 10140 1 16 . 1 1 62 62 VAL N N 62 127.879 127.879 123.494 4.385 18081 10141 1 16 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.848 -0.500 18081 10142 1 16 . 1 1 62 62 VAL C C 62 175.598 175.598 175.349 0.249 18081 10143 1 16 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.376 0.367 18081 10144 1 16 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.098 0.106 18081 10145 1 16 . 1 1 62 62 VAL H H 62 8.992 8.992 7.964 1.028 18081 10146 1 16 . 1 1 63 63 PHE N N 63 125.354 125.354 128.244 -2.890 18081 10147 1 16 . 1 1 63 63 PHE HA H 63 4.993 4.993 5.084 -0.091 18081 10148 1 16 . 1 1 63 63 PHE C C 63 175.507 175.507 176.096 -0.589 18081 10149 1 16 . 1 1 63 63 PHE CA C 63 57.807 57.807 58.164 -0.357 18081 10150 1 16 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.714 -1.106 18081 10151 1 16 . 1 1 63 63 PHE H H 63 9.521 9.521 8.545 0.976 18081 10152 1 16 . 1 1 64 64 LYS N N 64 123.471 123.471 121.699 1.772 18081 10153 1 16 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.176 -0.083 18081 10154 1 16 . 1 1 64 64 LYS C C 64 175.877 175.877 175.664 0.213 18081 10155 1 16 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.573 -1.192 18081 10156 1 16 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.834 -0.765 18081 10157 1 16 . 1 1 64 64 LYS H H 64 8.977 8.977 9.092 -0.115 18081 10158 1 16 . 1 1 65 65 ILE N N 65 125.792 125.792 126.007 -0.215 18081 10159 1 16 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.150 0.653 18081 10160 1 16 . 1 1 65 65 ILE C C 65 175.724 175.724 175.612 0.112 18081 10161 1 16 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.823 -1.059 18081 10162 1 16 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.096 1.292 18081 10163 1 16 . 1 1 65 65 ILE H H 65 9.390 9.390 8.283 1.107 18081 10164 1 16 . 1 1 66 66 THR N N 66 119.455 119.455 119.540 -0.085 18081 10165 1 16 . 1 1 66 66 THR HA H 66 4.583 4.583 4.505 0.078 18081 10166 1 16 . 1 1 66 66 THR C C 66 170.978 170.978 172.282 -1.304 18081 10167 1 16 . 1 1 66 66 THR CA C 66 61.233 61.233 61.702 -0.469 18081 10168 1 16 . 1 1 66 66 THR CB C 66 70.456 70.456 69.800 0.656 18081 10169 1 16 . 1 1 66 66 THR H H 66 8.176 8.176 8.043 0.133 18081 10170 1 16 . 1 1 67 67 SER N N 67 115.523 115.523 121.455 -5.932 18081 10171 1 16 . 1 1 67 67 SER HA H 67 6.316 6.316 5.014 1.302 18081 10172 1 16 . 1 1 67 67 SER C C 67 174.516 174.516 172.638 1.878 18081 10173 1 16 . 1 1 67 67 SER CA C 67 51.222 51.222 55.204 -3.982 18081 10174 1 16 . 1 1 67 67 SER CB C 67 66.501 66.501 65.562 0.939 18081 10175 1 16 . 1 1 67 67 SER H H 67 7.190 7.190 8.160 -0.970 18081 10176 1 16 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.258 0.570 18081 10177 1 16 . 1 1 68 68 PRO C C 68 174.360 174.360 175.702 -1.342 18081 10178 1 16 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.598 -2.030 18081 10179 1 16 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.957 0.532 18081 10180 1 16 . 1 1 69 69 ASP N N 69 120.505 120.505 117.278 3.227 18081 10181 1 16 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.881 -0.133 18081 10182 1 16 . 1 1 69 69 ASP C C 69 173.775 173.775 174.322 -0.547 18081 10183 1 16 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.248 1.201 18081 10184 1 16 . 1 1 69 69 ASP CB C 69 41.981 41.981 42.288 -0.307 18081 10185 1 16 . 1 1 69 69 ASP H H 69 8.594 8.594 8.114 0.480 18081 10186 1 16 . 1 1 70 70 VAL N N 70 120.074 120.074 117.016 3.058 18081 10187 1 16 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.424 0.150 18081 10188 1 16 . 1 1 70 70 VAL C C 70 174.866 174.866 174.254 0.612 18081 10189 1 16 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.843 -1.611 18081 10190 1 16 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.931 0.129 18081 10191 1 16 . 1 1 70 70 VAL H H 70 10.855 10.855 7.855 3.000 18081 10192 1 16 . 1 1 71 71 ILE N N 71 121.272 121.272 122.544 -1.272 18081 10193 1 16 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.230 0.208 18081 10194 1 16 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.674 1.760 18081 10195 1 16 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.814 0.707 18081 10196 1 16 . 1 1 71 71 ILE H H 71 7.670 7.670 8.164 -0.494 18081 10197 1 16 . 1 1 73 73 GLY C C 73 172.580 172.580 172.487 0.093 18081 10198 1 16 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.640 -0.226 18081 10199 1 16 . 1 1 74 74 PHE N N 74 123.714 123.714 118.137 5.577 18081 10200 1 16 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.038 -0.753 18081 10201 1 16 . 1 1 74 74 PHE C C 74 171.502 171.502 173.854 -2.352 18081 10202 1 16 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.672 4.025 18081 10203 1 16 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.036 -0.241 18081 10204 1 16 . 1 1 74 74 PHE H H 74 8.712 8.712 6.862 1.850 18081 10205 1 16 . 1 1 75 75 HIS N N 75 124.835 124.835 118.807 6.028 18081 10206 1 16 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.920 0.538 18081 10207 1 16 . 1 1 75 75 HIS C C 75 172.817 172.817 173.873 -1.056 18081 10208 1 16 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.232 -1.809 18081 10209 1 16 . 1 1 75 75 HIS CB C 75 29.523 29.523 32.428 -2.905 18081 10210 1 16 . 1 1 75 75 HIS H H 75 7.786 7.786 8.140 -0.354 18081 10211 1 16 . 1 1 76 76 VAL N N 76 124.569 124.569 121.806 2.763 18081 10212 1 16 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.041 0.252 18081 10213 1 16 . 1 1 76 76 VAL C C 76 175.843 175.843 175.127 0.716 18081 10214 1 16 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.173 0.526 18081 10215 1 16 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.095 -4.727 18081 10216 1 16 . 1 1 76 76 VAL H H 76 6.558 6.558 8.396 -1.838 18081 10217 1 16 . 1 1 77 77 GLU N N 77 132.091 132.091 122.919 9.172 18081 10218 1 16 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.143 -0.254 18081 10219 1 16 . 1 1 77 77 GLU C C 77 176.941 176.941 177.973 -1.032 18081 10220 1 16 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.552 1.145 18081 10221 1 16 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.157 0.058 18081 10222 1 16 . 1 1 77 77 GLU H H 77 8.977 8.977 8.424 0.553 18081 10223 1 16 . 1 1 78 78 GLY N N 78 111.143 111.143 108.811 2.332 18081 10224 1 16 . 1 1 78 78 GLY C C 78 174.152 174.152 174.202 -0.050 18081 10225 1 16 . 1 1 78 78 GLY CA C 78 45.260 45.260 46.118 -0.858 18081 10226 1 16 . 1 1 78 78 GLY H H 78 8.052 8.052 8.797 -0.745 18081 10227 1 16 . 1 1 79 79 THR N N 79 109.705 109.705 117.020 -7.315 18081 10228 1 16 . 1 1 79 79 THR HA H 79 4.949 4.949 4.584 0.365 18081 10229 1 16 . 1 1 79 79 THR C C 79 173.397 173.397 173.386 0.011 18081 10230 1 16 . 1 1 79 79 THR CA C 79 60.076 60.076 60.551 -0.475 18081 10231 1 16 . 1 1 79 79 THR CB C 79 72.829 72.829 70.839 1.990 18081 10232 1 16 . 1 1 79 79 THR H H 79 7.810 7.810 7.657 0.153 18081 10233 1 16 . 1 1 80 80 ASN N N 80 116.427 116.427 122.810 -6.383 18081 10234 1 16 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.642 0.278 18081 10235 1 16 . 1 1 80 80 ASN C C 80 175.665 175.665 174.377 1.288 18081 10236 1 16 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.042 -1.019 18081 10237 1 16 . 1 1 80 80 ASN CB C 80 37.532 37.532 36.667 0.865 18081 10238 1 16 . 1 1 80 80 ASN H H 80 7.856 7.856 8.795 -0.939 18081 10239 1 16 . 1 1 81 81 ILE N N 81 121.552 121.552 122.886 -1.334 18081 10240 1 16 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.993 -0.196 18081 10241 1 16 . 1 1 81 81 ILE C C 81 176.564 176.564 174.186 2.378 18081 10242 1 16 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.864 0.659 18081 10243 1 16 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.255 -0.153 18081 10244 1 16 . 1 1 81 81 ILE H H 81 8.493 8.493 7.940 0.553 18081 10245 1 16 . 1 1 82 82 ASN N N 82 131.507 131.507 127.918 3.589 18081 10246 1 16 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.948 0.203 18081 10247 1 16 . 1 1 82 82 ASN C C 82 173.025 173.025 174.127 -1.102 18081 10248 1 16 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.783 2.484 18081 10249 1 16 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.077 0.729 18081 10250 1 16 . 1 1 82 82 ASN H H 82 8.911 8.911 8.480 0.431 18081 10251 1 16 . 1 1 83 83 VAL N N 83 120.866 120.866 119.786 1.080 18081 10252 1 16 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.453 0.212 18081 10253 1 16 . 1 1 83 83 VAL C C 83 173.954 173.954 174.345 -0.391 18081 10254 1 16 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.111 -0.991 18081 10255 1 16 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.509 3.144 18081 10256 1 16 . 1 1 83 83 VAL H H 83 8.356 8.356 8.164 0.192 18081 10257 1 16 . 1 1 84 84 GLU N N 84 125.997 125.997 124.480 1.517 18081 10258 1 16 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.615 -0.028 18081 10259 1 16 . 1 1 84 84 GLU C C 84 174.600 174.600 174.677 -0.077 18081 10260 1 16 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.120 -0.093 18081 10261 1 16 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.047 -0.238 18081 10262 1 16 . 1 1 84 84 GLU H H 84 8.534 8.534 8.265 0.269 18081 10263 1 16 . 1 1 85 85 VAL N N 85 125.888 125.888 122.805 3.083 18081 10264 1 16 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.418 -0.369 18081 10265 1 16 . 1 1 85 85 VAL C C 85 173.256 173.256 175.546 -2.290 18081 10266 1 16 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.619 0.898 18081 10267 1 16 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.953 -2.167 18081 10268 1 16 . 1 1 85 85 VAL H H 85 8.782 8.782 8.181 0.601 18081 10269 1 16 . 1 1 86 86 LEU N N 86 128.745 128.745 121.762 6.983 18081 10270 1 16 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.650 0.151 18081 10271 1 16 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.022 -1.088 18081 10272 1 16 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.727 1.683 18081 10273 1 16 . 1 1 86 86 LEU H H 86 9.131 9.131 8.358 0.773 18081 10274 1 16 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.140 0.524 18081 10275 1 16 . 1 1 87 87 PRO C C 87 178.454 178.454 177.462 0.992 18081 10276 1 16 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.022 -0.410 18081 10277 1 16 . 1 1 87 87 PRO CB C 87 31.205 31.205 31.990 -0.785 18081 10278 1 16 . 1 1 88 88 GLY N N 88 112.804 112.804 109.510 3.294 18081 10279 1 16 . 1 1 88 88 GLY C C 88 173.451 173.451 173.380 0.071 18081 10280 1 16 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.094 -0.012 18081 10281 1 16 . 1 1 88 88 GLY H H 88 9.103 9.103 8.434 0.669 18081 10282 1 16 . 1 1 89 89 GLU N N 89 118.355 118.355 118.764 -0.409 18081 10283 1 16 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.586 0.514 18081 10284 1 16 . 1 1 89 89 GLU C C 89 176.719 176.719 175.357 1.362 18081 10285 1 16 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.702 -0.454 18081 10286 1 16 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.603 0.260 18081 10287 1 16 . 1 1 89 89 GLU H H 89 7.764 7.764 7.598 0.166 18081 10288 1 16 . 1 1 90 90 VAL N N 90 127.142 127.142 126.969 0.173 18081 10289 1 16 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.219 0.281 18081 10290 1 16 . 1 1 90 90 VAL C C 90 176.838 176.838 176.177 0.661 18081 10291 1 16 . 1 1 90 90 VAL CA C 90 61.856 61.856 63.288 -1.432 18081 10292 1 16 . 1 1 90 90 VAL CB C 90 33.138 33.138 31.427 1.711 18081 10293 1 16 . 1 1 90 90 VAL H H 90 8.830 8.830 8.087 0.743 18081 10294 1 16 . 1 1 91 91 SER N N 91 127.859 127.859 123.973 3.886 18081 10295 1 16 . 1 1 91 91 SER HA H 91 4.924 4.924 4.750 0.174 18081 10296 1 16 . 1 1 91 91 SER C C 91 173.015 173.015 174.355 -1.340 18081 10297 1 16 . 1 1 91 91 SER CA C 91 58.118 58.118 57.243 0.875 18081 10298 1 16 . 1 1 91 91 SER CB C 91 63.931 63.931 64.027 -0.096 18081 10299 1 16 . 1 1 91 91 SER H H 91 9.710 9.710 8.405 1.305 18081 10300 1 16 . 1 1 92 92 THR N N 92 122.627 122.627 121.546 1.081 18081 10301 1 16 . 1 1 92 92 THR HA H 92 5.682 5.682 5.311 0.371 18081 10302 1 16 . 1 1 92 92 THR C C 92 174.480 174.480 174.474 0.006 18081 10303 1 16 . 1 1 92 92 THR CA C 92 61.856 61.856 61.755 0.101 18081 10304 1 16 . 1 1 92 92 THR CB C 92 70.160 70.160 69.811 0.349 18081 10305 1 16 . 1 1 92 92 THR H H 92 8.864 8.864 8.545 0.319 18081 10306 1 16 . 1 1 93 93 VAL N N 93 126.698 126.698 126.780 -0.082 18081 10307 1 16 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.426 0.081 18081 10308 1 16 . 1 1 93 93 VAL C C 93 173.002 173.002 174.500 -1.498 18081 10309 1 16 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.342 -0.688 18081 10310 1 16 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.051 0.602 18081 10311 1 16 . 1 1 93 93 VAL H H 93 8.806 8.806 8.423 0.383 18081 10312 1 16 . 1 1 94 94 ARG N N 94 126.396 126.396 128.113 -1.717 18081 10313 1 16 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.393 0.497 18081 10314 1 16 . 1 1 94 94 ARG C C 94 175.885 175.885 175.611 0.274 18081 10315 1 16 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.691 -0.310 18081 10316 1 16 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.177 2.410 18081 10317 1 16 . 1 1 94 94 ARG H H 94 8.630 8.630 8.656 -0.026 18081 10318 1 16 . 1 1 95 95 TYR N N 95 126.390 126.390 126.835 -0.445 18081 10319 1 16 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.785 -0.465 18081 10320 1 16 . 1 1 95 95 TYR C C 95 172.683 172.683 173.904 -1.221 18081 10321 1 16 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.999 1.587 18081 10322 1 16 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.987 2.466 18081 10323 1 16 . 1 1 95 95 TYR H H 95 9.623 9.623 8.319 1.304 18081 10324 1 16 . 1 1 96 96 THR N N 96 121.396 121.396 119.206 2.190 18081 10325 1 16 . 1 1 96 96 THR HA H 96 4.684 4.684 4.613 0.071 18081 10326 1 16 . 1 1 96 96 THR C C 96 172.729 172.729 172.724 0.005 18081 10327 1 16 . 1 1 96 96 THR CA C 96 61.322 61.322 60.146 1.176 18081 10328 1 16 . 1 1 96 96 THR CB C 96 70.160 70.160 70.228 -0.068 18081 10329 1 16 . 1 1 96 96 THR H H 96 6.742 6.742 7.803 -1.061 18081 10330 1 16 . 1 1 97 97 PHE N N 97 126.539 126.539 126.428 0.111 18081 10331 1 16 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.682 -0.229 18081 10332 1 16 . 1 1 97 97 PHE C C 97 176.075 176.075 175.565 0.510 18081 10333 1 16 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.745 1.462 18081 10334 1 16 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.565 -1.657 18081 10335 1 16 . 1 1 97 97 PHE H H 97 8.933 8.933 8.544 0.389 18081 10336 1 16 . 1 1 98 98 LYS N N 98 123.417 123.417 118.411 5.006 18081 10337 1 16 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.430 -0.037 18081 10338 1 16 . 1 1 98 98 LYS C C 98 175.939 175.939 175.893 0.046 18081 10339 1 16 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.100 0.683 18081 10340 1 16 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.878 -0.894 18081 10341 1 16 . 1 1 98 98 LYS H H 98 8.604 8.604 8.459 0.145 18081 10342 1 16 . 1 1 99 99 ARG N N 99 118.424 118.424 119.374 -0.950 18081 10343 1 16 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.593 0.427 18081 10344 1 16 . 1 1 99 99 ARG C C 99 174.332 174.332 173.651 0.681 18081 10345 1 16 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.484 -0.883 18081 10346 1 16 . 1 1 99 99 ARG CB C 99 31.600 31.600 32.096 -0.496 18081 10347 1 16 . 1 1 99 99 ARG H H 99 7.801 7.801 8.011 -0.210 18081 10348 1 16 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.447 -0.064 18081 10349 1 16 . 1 1 100 100 PRO C C 100 175.190 175.190 176.648 -1.458 18081 10350 1 16 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.593 -0.025 18081 10351 1 16 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.337 0.251 18081 10352 1 16 . 1 1 101 101 GLY N N 101 108.626 108.626 107.698 0.928 18081 10353 1 16 . 1 1 101 101 GLY C C 101 171.375 171.375 172.080 -0.705 18081 10354 1 16 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.896 -0.793 18081 10355 1 16 . 1 1 101 101 GLY H H 101 8.685 8.685 7.661 1.024 18081 10356 1 16 . 1 1 102 102 GLU N N 102 119.327 119.327 123.340 -4.013 18081 10357 1 16 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.573 0.578 18081 10358 1 16 . 1 1 102 102 GLU C C 102 176.066 176.066 175.199 0.867 18081 10359 1 16 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.099 0.305 18081 10360 1 16 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.183 0.021 18081 10361 1 16 . 1 1 102 102 GLU H H 102 8.144 8.144 8.350 -0.206 18081 10362 1 16 . 1 1 103 103 TYR N N 103 125.807 125.807 120.464 5.343 18081 10363 1 16 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.882 -0.236 18081 10364 1 16 . 1 1 103 103 TYR C C 103 174.711 174.711 173.719 0.992 18081 10365 1 16 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.429 -0.091 18081 10366 1 16 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.690 -0.501 18081 10367 1 16 . 1 1 103 103 TYR H H 103 9.687 9.687 8.740 0.947 18081 10368 1 16 . 1 1 104 104 ARG N N 104 124.463 124.463 121.788 2.675 18081 10369 1 16 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.008 -0.381 18081 10370 1 16 . 1 1 104 104 ARG C C 104 174.570 174.570 174.697 -0.127 18081 10371 1 16 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.401 1.364 18081 10372 1 16 . 1 1 104 104 ARG CB C 104 31.698 31.698 30.921 0.777 18081 10373 1 16 . 1 1 104 104 ARG H H 104 8.902 8.902 8.627 0.275 18081 10374 1 16 . 1 1 105 105 ILE N N 105 124.589 124.589 121.817 2.772 18081 10375 1 16 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.416 -0.047 18081 10376 1 16 . 1 1 105 105 ILE C C 105 175.576 175.576 173.304 2.272 18081 10377 1 16 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.693 -1.758 18081 10378 1 16 . 1 1 105 105 ILE CB C 105 39.811 39.811 41.161 -1.350 18081 10379 1 16 . 1 1 105 105 ILE H H 105 8.289 8.289 7.894 0.395 18081 10380 1 16 . 1 1 106 106 ILE N N 106 121.777 121.777 126.228 -4.451 18081 10381 1 16 . 1 1 106 106 ILE HA H 106 5.038 5.038 5.024 0.014 18081 10382 1 16 . 1 1 106 106 ILE CA C 106 59.223 59.223 59.812 -0.589 18081 10383 1 16 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.867 2.608 18081 10384 1 16 . 1 1 106 106 ILE H H 106 8.765 8.765 8.634 0.131 18081 10385 1 16 . 1 1 109 109 GLN HA H 109 4.122 4.122 3.948 0.174 18081 10386 1 16 . 1 1 109 109 GLN C C 109 175.724 175.724 175.258 0.466 18081 10387 1 16 . 1 1 109 109 GLN CA C 109 56.472 56.472 58.782 -2.310 18081 10388 1 16 . 1 1 109 109 GLN CB C 109 29.128 29.128 26.958 2.170 18081 10389 1 16 . 1 1 110 110 TYR N N 110 120.856 120.856 119.955 0.901 18081 10390 1 16 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.678 -0.189 18081 10391 1 16 . 1 1 110 110 TYR CA C 110 57.985 57.985 58.637 -0.652 18081 10392 1 16 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.931 -1.004 18081 10393 1 16 . 1 1 110 110 TYR H H 110 8.191 8.191 8.433 -0.242 18081 10394 1 16 . 1 1 111 111 CYS N N 111 120.561 120.561 119.791 0.770 18081 10395 1 16 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.023 0.360 18081 10396 1 16 . 1 1 111 111 CYS C C 111 174.692 174.692 175.195 -0.503 18081 10397 1 16 . 1 1 111 111 CYS CA C 111 58.617 58.617 60.457 -1.840 18081 10398 1 16 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.614 -0.638 18081 10399 1 16 . 1 1 111 111 CYS H H 111 8.166 8.166 8.309 -0.143 18081 10400 1 16 . 1 1 112 112 GLY N N 112 111.467 111.467 108.714 2.753 18081 10401 1 16 . 1 1 112 112 GLY C C 112 173.900 173.900 173.803 0.097 18081 10402 1 16 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.368 0.777 18081 10403 1 16 . 1 1 112 112 GLY H H 112 8.239 8.239 7.666 0.573 18081 10404 1 16 . 1 1 113 113 LEU N N 113 122.150 122.150 120.019 2.131 18081 10405 1 16 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.004 0.320 18081 10406 1 16 . 1 1 113 113 LEU C C 113 178.068 178.068 176.553 1.515 18081 10407 1 16 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.313 0.405 18081 10408 1 16 . 1 1 113 113 LEU CB C 113 42.079 42.079 40.946 1.133 18081 10409 1 16 . 1 1 113 113 LEU H H 113 8.179 8.179 7.615 0.564 18081 10410 1 16 . 1 1 114 114 GLY N N 114 109.278 109.278 111.717 -2.439 18081 10411 1 16 . 1 1 114 114 GLY C C 114 174.142 174.142 174.376 -0.234 18081 10412 1 16 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.629 0.720 18081 10413 1 16 . 1 1 114 114 GLY H H 114 8.393 8.393 8.773 -0.380 18081 10414 1 16 . 1 1 117 117 ASN N N 117 120.387 120.387 118.069 2.318 18081 10415 1 16 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.347 0.331 18081 10416 1 16 . 1 1 117 117 ASN C C 117 174.422 174.422 174.298 0.124 18081 10417 1 16 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.411 -0.232 18081 10418 1 16 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.508 0.507 18081 10419 1 16 . 1 1 117 117 ASN H H 117 8.522 8.522 8.457 0.065 18081 10420 1 16 . 1 1 118 118 MET N N 118 120.526 120.526 120.309 0.217 18081 10421 1 16 . 1 1 118 118 MET C C 118 173.321 173.321 175.162 -1.841 18081 10422 1 16 . 1 1 118 118 MET CA C 118 55.360 55.360 55.580 -0.220 18081 10423 1 16 . 1 1 118 118 MET CB C 118 34.467 34.467 33.998 0.469 18081 10424 1 16 . 1 1 118 118 MET H H 118 7.981 7.981 7.939 0.042 18081 10425 1 16 . 1 1 119 119 PHE N N 119 119.704 119.704 118.978 0.726 18081 10426 1 16 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.656 1.166 18081 10427 1 16 . 1 1 119 119 PHE C C 119 174.894 174.894 176.355 -1.461 18081 10428 1 16 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.997 -0.881 18081 10429 1 16 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.254 3.123 18081 10430 1 16 . 1 1 119 119 PHE H H 119 8.068 8.068 8.231 -0.163 18081 10431 1 16 . 1 1 120 120 GLY N N 120 109.869 109.869 112.848 -2.979 18081 10432 1 16 . 1 1 120 120 GLY C C 120 172.817 172.817 174.164 -1.347 18081 10433 1 16 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.850 -0.569 18081 10434 1 16 . 1 1 120 120 GLY H H 120 8.984 8.984 8.953 0.031 18081 10435 1 16 . 1 1 121 121 THR N N 121 115.820 115.820 123.118 -7.298 18081 10436 1 16 . 1 1 121 121 THR HA H 121 5.068 5.068 4.161 0.907 18081 10437 1 16 . 1 1 121 121 THR C C 121 173.062 173.062 173.584 -0.522 18081 10438 1 16 . 1 1 121 121 THR CA C 121 62.745 62.745 64.685 -1.940 18081 10439 1 16 . 1 1 121 121 THR CB C 121 72.533 72.533 69.352 3.181 18081 10440 1 16 . 1 1 121 121 THR H H 121 8.123 8.123 8.061 0.062 18081 10441 1 16 . 1 1 122 122 ILE N N 122 127.420 127.420 127.913 -0.493 18081 10442 1 16 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.189 0.646 18081 10443 1 16 . 1 1 122 122 ILE C C 122 174.260 174.260 173.214 1.046 18081 10444 1 16 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.145 -0.069 18081 10445 1 16 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.782 -2.383 18081 10446 1 16 . 1 1 122 122 ILE H H 122 9.152 9.152 8.756 0.396 18081 10447 1 16 . 1 1 123 123 VAL N N 123 130.032 130.032 120.305 9.727 18081 10448 1 16 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.489 -0.110 18081 10449 1 16 . 1 1 123 123 VAL C C 123 174.012 174.012 173.463 0.549 18081 10450 1 16 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.151 2.660 18081 10451 1 16 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.192 -1.912 18081 10452 1 16 . 1 1 123 123 VAL H H 123 9.601 9.601 7.922 1.679 18081 10453 1 16 . 1 1 124 124 VAL N N 124 128.765 128.765 124.386 4.379 18081 10454 1 16 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.478 0.221 18081 10455 1 16 . 1 1 124 124 VAL C C 124 177.239 177.239 175.843 1.396 18081 10456 1 16 . 1 1 124 124 VAL CA C 124 60.565 60.565 59.763 0.802 18081 10457 1 16 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.647 -1.343 18081 10458 1 16 . 1 1 124 124 VAL H H 124 9.056 9.056 7.802 1.254 18081 10459 1 16 . 1 1 125 125 LYS N N 125 129.953 129.953 127.801 2.152 18081 10460 1 16 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.591 -0.250 18081 10461 1 16 . 1 1 125 125 LYS C C 125 175.317 175.317 176.081 -0.764 18081 10462 1 16 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.695 1.754 18081 10463 1 16 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.977 0.600 18081 10464 1 16 . 1 1 125 125 LYS H H 125 8.854 8.854 8.627 0.227 18081 10465 1 17 . 1 1 2 2 VAL N N 2 126.137 126.137 118.051 8.086 18081 10466 1 17 . 1 1 2 2 VAL HA H 2 4.026 4.026 3.869 0.157 18081 10467 1 17 . 1 1 2 2 VAL C C 2 176.484 176.484 174.082 2.402 18081 10468 1 17 . 1 1 2 2 VAL CA C 2 62.568 62.568 63.034 -0.466 18081 10469 1 17 . 1 1 2 2 VAL CB C 2 32.391 32.391 29.702 2.689 18081 10470 1 17 . 1 1 2 2 VAL H H 2 8.035 8.035 7.994 0.041 18081 10471 1 17 . 1 1 3 3 ILE N N 3 124.059 124.059 114.840 9.219 18081 10472 1 17 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.694 -0.199 18081 10473 1 17 . 1 1 3 3 ILE C C 3 174.606 174.606 175.232 -0.626 18081 10474 1 17 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.788 -0.403 18081 10475 1 17 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.365 1.156 18081 10476 1 17 . 1 1 3 3 ILE H H 3 7.856 7.856 7.727 0.129 18081 10477 1 17 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.581 -0.208 18081 10478 1 17 . 1 1 4 4 PRO C C 4 176.585 176.585 175.663 0.922 18081 10479 1 17 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.451 0.739 18081 10480 1 17 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.534 -0.570 18081 10481 1 17 . 1 1 5 5 ALA N N 5 125.371 125.371 120.245 5.126 18081 10482 1 17 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.468 -0.181 18081 10483 1 17 . 1 1 5 5 ALA C C 5 178.454 178.454 176.746 1.708 18081 10484 1 17 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.017 0.717 18081 10485 1 17 . 1 1 5 5 ALA CB C 5 19.043 19.043 20.538 -1.495 18081 10486 1 17 . 1 1 5 5 ALA H H 5 8.458 8.458 8.151 0.307 18081 10487 1 17 . 1 1 6 6 GLY N N 6 108.626 108.626 110.289 -1.663 18081 10488 1 17 . 1 1 6 6 GLY C C 6 173.996 173.996 174.132 -0.136 18081 10489 1 17 . 1 1 6 6 GLY CA C 6 45.171 45.171 44.758 0.413 18081 10490 1 17 . 1 1 6 6 GLY H H 6 8.378 8.378 8.348 0.030 18081 10491 1 17 . 1 1 7 7 LYS N N 7 121.320 121.320 122.200 -0.880 18081 10492 1 17 . 1 1 7 7 LYS HA H 7 4.329 4.329 3.961 0.368 18081 10493 1 17 . 1 1 7 7 LYS C C 7 176.362 176.362 176.168 0.194 18081 10494 1 17 . 1 1 7 7 LYS CA C 7 56.116 56.116 56.911 -0.795 18081 10495 1 17 . 1 1 7 7 LYS CB C 7 32.984 32.984 32.647 0.337 18081 10496 1 17 . 1 1 7 7 LYS H H 7 7.976 7.976 8.341 -0.365 18081 10497 1 17 . 1 1 8 8 LEU N N 8 124.548 124.548 118.442 6.106 18081 10498 1 17 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.088 0.303 18081 10499 1 17 . 1 1 8 8 LEU C C 8 176.772 176.772 175.688 1.084 18081 10500 1 17 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.707 -0.525 18081 10501 1 17 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.300 0.175 18081 10502 1 17 . 1 1 8 8 LEU H H 8 8.283 8.283 8.650 -0.367 18081 10503 1 17 . 1 1 9 9 GLU N N 9 124.888 124.888 125.128 -0.240 18081 10504 1 17 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.621 -0.231 18081 10505 1 17 . 1 1 9 9 GLU C C 9 174.919 174.919 175.274 -0.355 18081 10506 1 17 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.392 1.080 18081 10507 1 17 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.210 -1.599 18081 10508 1 17 . 1 1 9 9 GLU H H 9 8.679 8.679 8.654 0.025 18081 10509 1 17 . 1 1 10 10 ARG N N 10 123.557 123.557 126.916 -3.359 18081 10510 1 17 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.651 0.321 18081 10511 1 17 . 1 1 10 10 ARG C C 10 175.727 175.727 175.939 -0.212 18081 10512 1 17 . 1 1 10 10 ARG CA C 10 55.085 55.085 56.159 -1.074 18081 10513 1 17 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.222 1.323 18081 10514 1 17 . 1 1 10 10 ARG H H 10 8.248 8.248 8.733 -0.485 18081 10515 1 17 . 1 1 11 11 VAL N N 11 118.077 118.077 118.749 -0.672 18081 10516 1 17 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.445 -0.065 18081 10517 1 17 . 1 1 11 11 VAL C C 11 173.297 173.297 173.827 -0.530 18081 10518 1 17 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.331 0.255 18081 10519 1 17 . 1 1 11 11 VAL CB C 11 34.763 34.763 35.567 -0.804 18081 10520 1 17 . 1 1 11 11 VAL H H 11 8.039 8.039 7.920 0.119 18081 10521 1 17 . 1 1 12 12 ASP N N 12 123.786 123.786 114.962 8.824 18081 10522 1 17 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.972 -0.021 18081 10523 1 17 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.299 -0.700 18081 10524 1 17 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.456 -0.068 18081 10525 1 17 . 1 1 12 12 ASP H H 12 8.313 8.313 8.078 0.235 18081 10526 1 17 . 1 1 13 13 PRO C C 13 177.705 177.705 177.269 0.436 18081 10527 1 17 . 1 1 13 13 PRO CA C 13 64.739 64.739 63.978 0.761 18081 10528 1 17 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.851 -0.229 18081 10529 1 17 . 1 1 14 14 THR N N 14 109.188 109.188 115.926 -6.738 18081 10530 1 17 . 1 1 14 14 THR HA H 14 4.252 4.252 4.064 0.188 18081 10531 1 17 . 1 1 14 14 THR C C 14 176.733 176.733 175.695 1.038 18081 10532 1 17 . 1 1 14 14 THR CA C 14 63.996 63.996 65.336 -1.340 18081 10533 1 17 . 1 1 14 14 THR CB C 14 69.270 69.270 68.766 0.504 18081 10534 1 17 . 1 1 14 14 THR H H 14 8.413 8.413 8.185 0.228 18081 10535 1 17 . 1 1 15 15 THR N N 15 108.904 108.904 110.462 -1.558 18081 10536 1 17 . 1 1 15 15 THR HA H 15 4.733 4.733 4.478 0.255 18081 10537 1 17 . 1 1 15 15 THR C C 15 177.174 177.174 174.030 3.144 18081 10538 1 17 . 1 1 15 15 THR CA C 15 61.589 61.589 61.794 -0.205 18081 10539 1 17 . 1 1 15 15 THR CB C 15 70.654 70.654 69.331 1.323 18081 10540 1 17 . 1 1 15 15 THR H H 15 7.413 7.413 7.854 -0.441 18081 10541 1 17 . 1 1 16 16 VAL N N 16 122.387 122.387 122.816 -0.429 18081 10542 1 17 . 1 1 16 16 VAL HA H 16 4.198 4.198 4.038 0.160 18081 10543 1 17 . 1 1 16 16 VAL C C 16 175.683 175.683 175.060 0.623 18081 10544 1 17 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.533 -0.081 18081 10545 1 17 . 1 1 16 16 VAL CB C 16 31.501 31.501 31.800 -0.299 18081 10546 1 17 . 1 1 16 16 VAL H H 16 7.143 7.143 7.288 -0.145 18081 10547 1 17 . 1 1 17 17 ARG N N 17 115.917 115.917 116.147 -0.230 18081 10548 1 17 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.243 0.028 18081 10549 1 17 . 1 1 17 17 ARG C C 17 175.861 175.861 178.190 -2.329 18081 10550 1 17 . 1 1 17 17 ARG CA C 17 57.050 57.050 58.186 -1.136 18081 10551 1 17 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.509 -0.483 18081 10552 1 17 . 1 1 17 17 ARG H H 17 8.227 8.227 8.213 0.014 18081 10553 1 17 . 1 1 18 18 GLN N N 18 117.044 117.044 116.180 0.864 18081 10554 1 17 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.354 0.045 18081 10555 1 17 . 1 1 18 18 GLN C C 18 175.506 175.506 175.463 0.043 18081 10556 1 17 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.334 0.805 18081 10557 1 17 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.180 1.629 18081 10558 1 17 . 1 1 18 18 GLN H H 18 7.765 7.765 8.074 -0.309 18081 10559 1 17 . 1 1 19 19 GLU N N 19 118.659 118.659 119.414 -0.755 18081 10560 1 17 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.438 0.121 18081 10561 1 17 . 1 1 19 19 GLU C C 19 175.081 175.081 174.974 0.107 18081 10562 1 17 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.704 -0.522 18081 10563 1 17 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.025 0.366 18081 10564 1 17 . 1 1 19 19 GLU H H 19 8.070 8.070 7.906 0.164 18081 10565 1 17 . 1 1 20 20 GLY N N 20 113.694 113.694 112.146 1.548 18081 10566 1 17 . 1 1 20 20 GLY C C 20 174.150 174.150 172.418 1.732 18081 10567 1 17 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.706 -0.158 18081 10568 1 17 . 1 1 20 20 GLY H H 20 8.933 8.933 8.226 0.707 18081 10569 1 17 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.189 -0.516 18081 10570 1 17 . 1 1 21 21 PRO C C 21 176.703 176.703 176.487 0.216 18081 10571 1 17 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.433 0.448 18081 10572 1 17 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.170 -1.133 18081 10573 1 17 . 1 1 22 22 TRP N N 22 117.898 117.898 116.236 1.662 18081 10574 1 17 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.525 -0.210 18081 10575 1 17 . 1 1 22 22 TRP C C 22 174.965 174.965 177.024 -2.059 18081 10576 1 17 . 1 1 22 22 TRP CA C 22 60.521 60.521 58.038 2.483 18081 10577 1 17 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.616 0.655 18081 10578 1 17 . 1 1 22 22 TRP H H 22 8.759 8.759 8.043 0.716 18081 10579 1 17 . 1 1 23 23 ALA N N 23 120.887 120.887 121.904 -1.017 18081 10580 1 17 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.481 -0.557 18081 10581 1 17 . 1 1 23 23 ALA C C 23 177.520 177.520 178.309 -0.789 18081 10582 1 17 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.413 1.367 18081 10583 1 17 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.320 -0.772 18081 10584 1 17 . 1 1 23 23 ALA H H 23 7.232 7.232 7.043 0.189 18081 10585 1 17 . 1 1 24 24 ASP N N 24 115.176 115.176 117.597 -2.421 18081 10586 1 17 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.113 0.073 18081 10587 1 17 . 1 1 24 24 ASP C C 24 176.860 176.860 175.639 1.221 18081 10588 1 17 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.214 -1.594 18081 10589 1 17 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.577 -1.090 18081 10590 1 17 . 1 1 24 24 ASP H H 24 7.718 7.718 7.505 0.213 18081 10591 1 17 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.413 -0.114 18081 10592 1 17 . 1 1 25 25 PRO C C 25 177.445 177.445 177.325 0.120 18081 10593 1 17 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.766 -0.285 18081 10594 1 17 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.087 -0.190 18081 10595 1 17 . 1 1 26 26 ALA N N 26 120.150 120.150 120.751 -0.601 18081 10596 1 17 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.287 0.018 18081 10597 1 17 . 1 1 26 26 ALA C C 26 179.061 179.061 178.359 0.702 18081 10598 1 17 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.775 0.072 18081 10599 1 17 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.154 0.099 18081 10600 1 17 . 1 1 26 26 ALA H H 26 8.158 8.158 7.984 0.174 18081 10601 1 17 . 1 1 27 27 GLN N N 27 117.617 117.617 116.148 1.469 18081 10602 1 17 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.502 0.193 18081 10603 1 17 . 1 1 27 27 GLN C C 27 175.309 175.309 176.241 -0.932 18081 10604 1 17 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.895 -0.637 18081 10605 1 17 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.948 -0.216 18081 10606 1 17 . 1 1 27 27 GLN H H 27 7.732 7.732 7.529 0.203 18081 10607 1 17 . 1 1 28 28 ALA N N 28 122.069 122.069 123.996 -1.927 18081 10608 1 17 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.225 0.156 18081 10609 1 17 . 1 1 28 28 ALA C C 28 176.358 176.358 177.731 -1.373 18081 10610 1 17 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.527 1.055 18081 10611 1 17 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.092 1.829 18081 10612 1 17 . 1 1 28 28 ALA H H 28 6.996 6.996 7.422 -0.426 18081 10613 1 17 . 1 1 29 29 VAL N N 29 114.478 114.478 117.661 -3.183 18081 10614 1 17 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.449 0.258 18081 10615 1 17 . 1 1 29 29 VAL C C 29 176.252 176.252 176.154 0.098 18081 10616 1 17 . 1 1 29 29 VAL CA C 29 61.989 61.989 62.462 -0.474 18081 10617 1 17 . 1 1 29 29 VAL CB C 29 31.600 31.600 30.647 0.953 18081 10618 1 17 . 1 1 29 29 VAL H H 29 7.868 7.868 8.067 -0.199 18081 10619 1 17 . 1 1 30 30 VAL N N 30 129.718 129.718 120.963 8.755 18081 10620 1 17 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.628 -0.241 18081 10621 1 17 . 1 1 30 30 VAL C C 30 175.107 175.107 174.949 0.158 18081 10622 1 17 . 1 1 30 30 VAL CA C 30 60.743 60.743 59.973 0.770 18081 10623 1 17 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.626 -0.368 18081 10624 1 17 . 1 1 30 30 VAL H H 30 9.556 9.556 7.891 1.665 18081 10625 1 17 . 1 1 31 31 GLN N N 31 129.372 129.372 125.811 3.561 18081 10626 1 17 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.404 -0.263 18081 10627 1 17 . 1 1 31 31 GLN C C 31 176.413 176.413 175.552 0.861 18081 10628 1 17 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.485 0.565 18081 10629 1 17 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.601 -1.550 18081 10630 1 17 . 1 1 31 31 GLN H H 31 9.153 9.153 8.738 0.415 18081 10631 1 17 . 1 1 32 32 THR N N 32 119.775 119.775 119.191 0.584 18081 10632 1 17 . 1 1 32 32 THR HA H 32 4.392 4.392 4.449 -0.057 18081 10633 1 17 . 1 1 32 32 THR C C 32 174.102 174.102 173.981 0.121 18081 10634 1 17 . 1 1 32 32 THR CA C 32 61.678 61.678 61.390 0.288 18081 10635 1 17 . 1 1 32 32 THR CB C 32 68.775 68.775 69.968 -1.193 18081 10636 1 17 . 1 1 32 32 THR H H 32 8.266 8.266 8.271 -0.005 18081 10637 1 17 . 1 1 33 33 GLY N N 33 111.761 111.761 109.586 2.175 18081 10638 1 17 . 1 1 33 33 GLY C C 33 170.586 170.586 171.575 -0.989 18081 10639 1 17 . 1 1 33 33 GLY CA C 33 45.082 45.082 42.872 2.210 18081 10640 1 17 . 1 1 33 33 GLY H H 33 7.997 7.997 7.451 0.546 18081 10641 1 17 . 1 1 34 34 PRO C C 34 176.674 176.674 176.669 0.005 18081 10642 1 17 . 1 1 34 34 PRO CA C 34 64.881 64.881 63.243 1.637 18081 10643 1 17 . 1 1 34 34 PRO CB C 34 31.361 31.361 31.593 -0.232 18081 10644 1 17 . 1 1 35 35 ASN N N 35 117.681 117.681 119.795 -2.114 18081 10645 1 17 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.181 0.673 18081 10646 1 17 . 1 1 35 35 ASN C C 35 173.262 173.262 173.202 0.060 18081 10647 1 17 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.931 -1.808 18081 10648 1 17 . 1 1 35 35 ASN CB C 35 39.756 39.756 38.129 1.627 18081 10649 1 17 . 1 1 35 35 ASN H H 35 8.649 8.649 8.543 0.106 18081 10650 1 17 . 1 1 36 36 GLN N N 36 119.276 119.276 113.966 5.310 18081 10651 1 17 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.020 0.547 18081 10652 1 17 . 1 1 36 36 GLN C C 36 173.292 173.292 173.079 0.213 18081 10653 1 17 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.014 0.590 18081 10654 1 17 . 1 1 36 36 GLN CB C 36 33.874 33.874 33.093 0.781 18081 10655 1 17 . 1 1 36 36 GLN H H 36 6.953 6.953 7.072 -0.119 18081 10656 1 17 . 1 1 37 37 TYR N N 37 125.339 125.339 118.247 7.092 18081 10657 1 17 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.138 -0.074 18081 10658 1 17 . 1 1 37 37 TYR C C 37 174.321 174.321 175.432 -1.111 18081 10659 1 17 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.213 0.259 18081 10660 1 17 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.149 -1.453 18081 10661 1 17 . 1 1 37 37 TYR H H 37 8.898 8.898 8.287 0.611 18081 10662 1 17 . 1 1 38 38 THR N N 38 121.935 121.935 119.861 2.074 18081 10663 1 17 . 1 1 38 38 THR HA H 38 5.098 5.098 4.521 0.577 18081 10664 1 17 . 1 1 38 38 THR C C 38 172.253 172.253 173.515 -1.262 18081 10665 1 17 . 1 1 38 38 THR CA C 38 61.589 61.589 62.848 -1.259 18081 10666 1 17 . 1 1 38 38 THR CB C 38 69.764 69.764 68.823 0.941 18081 10667 1 17 . 1 1 38 38 THR H H 38 9.592 9.592 8.825 0.767 18081 10668 1 17 . 1 1 39 39 VAL N N 39 126.189 126.189 128.781 -2.592 18081 10669 1 17 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.923 1.178 18081 10670 1 17 . 1 1 39 39 VAL C C 39 174.612 174.612 174.326 0.286 18081 10671 1 17 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.151 -1.520 18081 10672 1 17 . 1 1 39 39 VAL CB C 39 34.071 34.071 31.199 2.872 18081 10673 1 17 . 1 1 39 39 VAL H H 39 8.710 8.710 7.988 0.722 18081 10674 1 17 . 1 1 40 40 TYR N N 40 130.243 130.243 128.104 2.139 18081 10675 1 17 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.101 -0.460 18081 10676 1 17 . 1 1 40 40 TYR C C 40 174.840 174.840 176.508 -1.668 18081 10677 1 17 . 1 1 40 40 TYR CA C 40 58.652 58.652 57.902 0.750 18081 10678 1 17 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.007 -2.167 18081 10679 1 17 . 1 1 40 40 TYR H H 40 9.139 9.139 7.787 1.352 18081 10680 1 17 . 1 1 41 41 VAL N N 41 124.415 124.415 125.526 -1.111 18081 10681 1 17 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.489 0.851 18081 10682 1 17 . 1 1 41 41 VAL C C 41 175.680 175.680 174.410 1.270 18081 10683 1 17 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.370 -1.116 18081 10684 1 17 . 1 1 41 41 VAL CB C 41 34.862 34.862 33.739 1.123 18081 10685 1 17 . 1 1 41 41 VAL H H 41 8.686 8.686 9.345 -0.659 18081 10686 1 17 . 1 1 42 42 LEU N N 42 129.148 129.148 130.208 -1.060 18081 10687 1 17 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.776 0.370 18081 10688 1 17 . 1 1 42 42 LEU C C 42 175.161 175.161 175.387 -0.226 18081 10689 1 17 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.656 -0.877 18081 10690 1 17 . 1 1 42 42 LEU CB C 42 45.639 45.639 43.779 1.861 18081 10691 1 17 . 1 1 42 42 LEU H H 42 9.694 9.694 8.843 0.851 18081 10692 1 17 . 1 1 43 43 ALA N N 43 130.434 130.434 129.150 1.284 18081 10693 1 17 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.665 0.057 18081 10694 1 17 . 1 1 43 43 ALA C C 43 173.292 173.292 175.237 -1.945 18081 10695 1 17 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.951 -1.797 18081 10696 1 17 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.817 -1.687 18081 10697 1 17 . 1 1 43 43 ALA H H 43 8.679 8.679 8.111 0.568 18081 10698 1 17 . 1 1 44 44 PHE N N 44 118.472 118.472 118.316 0.156 18081 10699 1 17 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.793 0.416 18081 10700 1 17 . 1 1 44 44 PHE C C 44 172.698 172.698 173.758 -1.060 18081 10701 1 17 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.447 -2.322 18081 10702 1 17 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.583 1.090 18081 10703 1 17 . 1 1 44 44 PHE H H 44 7.756 7.756 7.614 0.142 18081 10704 1 17 . 1 1 45 45 ALA N N 45 122.901 122.901 122.438 0.463 18081 10705 1 17 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.279 -0.866 18081 10706 1 17 . 1 1 45 45 ALA C C 45 177.267 177.267 176.996 0.271 18081 10707 1 17 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.322 -6.040 18081 10708 1 17 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.888 -3.108 18081 10709 1 17 . 1 1 45 45 ALA H H 45 9.739 9.739 8.694 1.045 18081 10710 1 17 . 1 1 46 46 PHE N N 46 128.515 128.515 120.133 8.382 18081 10711 1 17 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.703 0.517 18081 10712 1 17 . 1 1 46 46 PHE C C 46 173.387 173.387 175.531 -2.144 18081 10713 1 17 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.912 3.119 18081 10714 1 17 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.554 1.845 18081 10715 1 17 . 1 1 46 46 PHE H H 46 7.994 7.994 8.451 -0.457 18081 10716 1 17 . 1 1 47 47 GLY N N 47 113.741 113.741 109.567 4.174 18081 10717 1 17 . 1 1 47 47 GLY C C 47 167.774 167.774 172.207 -4.433 18081 10718 1 17 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.853 0.382 18081 10719 1 17 . 1 1 47 47 GLY H H 47 7.796 7.796 7.498 0.298 18081 10720 1 17 . 1 1 48 48 TYR N N 48 119.637 119.637 117.340 2.297 18081 10721 1 17 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.678 0.660 18081 10722 1 17 . 1 1 48 48 TYR C C 48 175.042 175.042 173.366 1.676 18081 10723 1 17 . 1 1 48 48 TYR CA C 48 56.294 56.294 56.547 -0.253 18081 10724 1 17 . 1 1 48 48 TYR CB C 48 41.962 41.962 39.927 2.035 18081 10725 1 17 . 1 1 48 48 TYR H H 48 8.370 8.370 8.033 0.337 18081 10726 1 17 . 1 1 49 49 GLN N N 49 121.776 121.776 120.273 1.503 18081 10727 1 17 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.717 0.100 18081 10728 1 17 . 1 1 49 49 GLN CA C 49 52.334 52.334 54.111 -1.777 18081 10729 1 17 . 1 1 49 49 GLN CB C 49 33.874 33.874 31.235 2.639 18081 10730 1 17 . 1 1 49 49 GLN H H 49 9.163 9.163 8.340 0.823 18081 10731 1 17 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.608 0.134 18081 10732 1 17 . 1 1 50 50 PRO C C 50 174.271 174.271 175.753 -1.482 18081 10733 1 17 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.902 -0.112 18081 10734 1 17 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.405 2.260 18081 10735 1 17 . 1 1 51 51 ASN N N 51 113.755 113.755 117.522 -3.767 18081 10736 1 17 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.058 0.022 18081 10737 1 17 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.388 -0.389 18081 10738 1 17 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.881 1.815 18081 10739 1 17 . 1 1 51 51 ASN H H 51 8.229 8.229 8.408 -0.179 18081 10740 1 17 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.471 0.800 18081 10741 1 17 . 1 1 52 52 PRO C C 52 176.525 176.525 175.225 1.300 18081 10742 1 17 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.922 0.669 18081 10743 1 17 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.847 3.060 18081 10744 1 17 . 1 1 53 53 ILE N N 53 120.452 120.452 123.488 -3.036 18081 10745 1 17 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.421 -0.355 18081 10746 1 17 . 1 1 53 53 ILE C C 53 174.236 174.236 174.596 -0.360 18081 10747 1 17 . 1 1 53 53 ILE CA C 53 61.500 61.500 59.091 2.409 18081 10748 1 17 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.872 -0.967 18081 10749 1 17 . 1 1 53 53 ILE H H 53 8.321 8.321 8.020 0.301 18081 10750 1 17 . 1 1 54 54 GLU N N 54 129.279 129.279 123.008 6.271 18081 10751 1 17 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.668 0.799 18081 10752 1 17 . 1 1 54 54 GLU C C 54 175.598 175.598 174.323 1.275 18081 10753 1 17 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.483 -0.479 18081 10754 1 17 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.593 -1.686 18081 10755 1 17 . 1 1 54 54 GLU H H 54 8.458 8.458 8.296 0.162 18081 10756 1 17 . 1 1 55 55 VAL N N 55 115.767 115.767 124.227 -8.460 18081 10757 1 17 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.646 0.010 18081 10758 1 17 . 1 1 55 55 VAL C C 55 172.453 172.453 173.232 -0.779 18081 10759 1 17 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.146 -1.407 18081 10760 1 17 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.858 -0.887 18081 10761 1 17 . 1 1 55 55 VAL H H 55 8.492 8.492 8.967 -0.475 18081 10762 1 17 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.840 -0.173 18081 10763 1 17 . 1 1 56 56 PRO C C 56 177.445 177.445 176.949 0.496 18081 10764 1 17 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.338 -0.660 18081 10765 1 17 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.704 0.291 18081 10766 1 17 . 1 1 57 57 GLN N N 57 122.020 122.020 125.312 -3.292 18081 10767 1 17 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.133 -0.243 18081 10768 1 17 . 1 1 57 57 GLN C C 57 176.735 176.735 176.613 0.122 18081 10769 1 17 . 1 1 57 57 GLN CA C 57 56.872 56.872 57.147 -0.275 18081 10770 1 17 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.749 -0.907 18081 10771 1 17 . 1 1 57 57 GLN H H 57 8.466 8.466 8.100 0.366 18081 10772 1 17 . 1 1 58 58 GLY N N 58 112.805 112.805 110.897 1.908 18081 10773 1 17 . 1 1 58 58 GLY C C 58 172.686 172.686 173.557 -0.871 18081 10774 1 17 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.084 1.288 18081 10775 1 17 . 1 1 58 58 GLY H H 58 8.713 8.713 8.454 0.259 18081 10776 1 17 . 1 1 59 59 ALA N N 59 122.839 122.839 124.012 -1.173 18081 10777 1 17 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.772 -0.221 18081 10778 1 17 . 1 1 59 59 ALA C C 59 176.659 176.659 176.012 0.647 18081 10779 1 17 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.861 -0.129 18081 10780 1 17 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.464 -0.740 18081 10781 1 17 . 1 1 59 59 ALA H H 59 6.982 6.982 7.395 -0.413 18081 10782 1 17 . 1 1 60 60 GLU N N 60 123.390 123.390 119.044 4.346 18081 10783 1 17 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.260 0.047 18081 10784 1 17 . 1 1 60 60 GLU C C 60 173.876 173.876 175.867 -1.991 18081 10785 1 17 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.918 -0.090 18081 10786 1 17 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.755 -0.441 18081 10787 1 17 . 1 1 60 60 GLU H H 60 8.260 8.260 8.565 -0.305 18081 10788 1 17 . 1 1 61 61 ILE N N 61 130.883 130.883 122.534 8.349 18081 10789 1 17 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.552 0.270 18081 10790 1 17 . 1 1 61 61 ILE C C 61 175.267 175.267 175.216 0.051 18081 10791 1 17 . 1 1 61 61 ILE CA C 61 57.423 57.423 59.192 -1.769 18081 10792 1 17 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.601 -3.849 18081 10793 1 17 . 1 1 61 61 ILE H H 61 9.103 9.103 8.417 0.686 18081 10794 1 17 . 1 1 62 62 VAL N N 62 127.879 127.879 121.854 6.025 18081 10795 1 17 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.086 -0.738 18081 10796 1 17 . 1 1 62 62 VAL C C 62 175.598 175.598 175.745 -0.147 18081 10797 1 17 . 1 1 62 62 VAL CA C 62 60.743 60.743 59.873 0.870 18081 10798 1 17 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.577 -0.373 18081 10799 1 17 . 1 1 62 62 VAL H H 62 8.992 8.992 8.257 0.735 18081 10800 1 17 . 1 1 63 63 PHE N N 63 125.354 125.354 128.505 -3.151 18081 10801 1 17 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.715 0.278 18081 10802 1 17 . 1 1 63 63 PHE C C 63 175.507 175.507 175.824 -0.317 18081 10803 1 17 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.274 -1.467 18081 10804 1 17 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.983 -0.376 18081 10805 1 17 . 1 1 63 63 PHE H H 63 9.521 9.521 8.894 0.627 18081 10806 1 17 . 1 1 64 64 LYS N N 64 123.471 123.471 123.286 0.185 18081 10807 1 17 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.166 -0.073 18081 10808 1 17 . 1 1 64 64 LYS C C 64 175.877 175.877 175.505 0.372 18081 10809 1 17 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.690 -1.309 18081 10810 1 17 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.300 -1.231 18081 10811 1 17 . 1 1 64 64 LYS H H 64 8.977 8.977 9.320 -0.343 18081 10812 1 17 . 1 1 65 65 ILE N N 65 125.792 125.792 125.893 -0.101 18081 10813 1 17 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.276 0.527 18081 10814 1 17 . 1 1 65 65 ILE C C 65 175.724 175.724 175.042 0.682 18081 10815 1 17 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.051 -0.287 18081 10816 1 17 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.954 0.434 18081 10817 1 17 . 1 1 65 65 ILE H H 65 9.390 9.390 8.400 0.990 18081 10818 1 17 . 1 1 66 66 THR N N 66 119.455 119.455 116.615 2.840 18081 10819 1 17 . 1 1 66 66 THR HA H 66 4.583 4.583 4.329 0.254 18081 10820 1 17 . 1 1 66 66 THR C C 66 170.978 170.978 172.231 -1.253 18081 10821 1 17 . 1 1 66 66 THR CA C 66 61.233 61.233 61.152 0.081 18081 10822 1 17 . 1 1 66 66 THR CB C 66 70.456 70.456 69.342 1.114 18081 10823 1 17 . 1 1 66 66 THR H H 66 8.176 8.176 7.834 0.342 18081 10824 1 17 . 1 1 67 67 SER N N 67 115.523 115.523 120.890 -5.367 18081 10825 1 17 . 1 1 67 67 SER HA H 67 6.316 6.316 5.053 1.263 18081 10826 1 17 . 1 1 67 67 SER C C 67 174.516 174.516 172.596 1.920 18081 10827 1 17 . 1 1 67 67 SER CA C 67 51.222 51.222 55.659 -4.437 18081 10828 1 17 . 1 1 67 67 SER CB C 67 66.501 66.501 65.628 0.873 18081 10829 1 17 . 1 1 67 67 SER H H 67 7.190 7.190 8.469 -1.279 18081 10830 1 17 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.293 0.535 18081 10831 1 17 . 1 1 68 68 PRO C C 68 174.360 174.360 175.895 -1.535 18081 10832 1 17 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.785 -2.217 18081 10833 1 17 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.925 0.563 18081 10834 1 17 . 1 1 69 69 ASP N N 69 120.505 120.505 117.352 3.153 18081 10835 1 17 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.861 -0.113 18081 10836 1 17 . 1 1 69 69 ASP C C 69 173.775 173.775 174.342 -0.567 18081 10837 1 17 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.493 0.956 18081 10838 1 17 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.781 1.200 18081 10839 1 17 . 1 1 69 69 ASP H H 69 8.594 8.594 8.306 0.288 18081 10840 1 17 . 1 1 70 70 VAL N N 70 120.074 120.074 114.838 5.236 18081 10841 1 17 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.310 0.264 18081 10842 1 17 . 1 1 70 70 VAL C C 70 174.866 174.866 174.114 0.752 18081 10843 1 17 . 1 1 70 70 VAL CA C 70 59.231 59.231 59.893 -0.662 18081 10844 1 17 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.057 0.003 18081 10845 1 17 . 1 1 70 70 VAL H H 70 10.855 10.855 7.854 3.001 18081 10846 1 17 . 1 1 71 71 ILE N N 71 121.272 121.272 122.856 -1.584 18081 10847 1 17 . 1 1 71 71 ILE HA H 71 4.438 4.438 3.996 0.442 18081 10848 1 17 . 1 1 71 71 ILE CA C 71 62.434 62.434 61.034 1.400 18081 10849 1 17 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.816 0.705 18081 10850 1 17 . 1 1 71 71 ILE H H 71 7.670 7.670 8.147 -0.477 18081 10851 1 17 . 1 1 73 73 GLY C C 73 172.580 172.580 172.612 -0.032 18081 10852 1 17 . 1 1 73 73 GLY CA C 73 44.414 44.414 45.112 -0.698 18081 10853 1 17 . 1 1 74 74 PHE N N 74 123.714 123.714 119.803 3.911 18081 10854 1 17 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.882 -0.597 18081 10855 1 17 . 1 1 74 74 PHE C C 74 171.502 171.502 173.904 -2.402 18081 10856 1 17 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.437 3.260 18081 10857 1 17 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.337 -0.542 18081 10858 1 17 . 1 1 74 74 PHE H H 74 8.712 8.712 7.157 1.555 18081 10859 1 17 . 1 1 75 75 HIS N N 75 124.835 124.835 122.638 2.197 18081 10860 1 17 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.797 0.661 18081 10861 1 17 . 1 1 75 75 HIS C C 75 172.817 172.817 173.550 -0.733 18081 10862 1 17 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.285 -2.862 18081 10863 1 17 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.311 -1.788 18081 10864 1 17 . 1 1 75 75 HIS H H 75 7.786 7.786 8.620 -0.834 18081 10865 1 17 . 1 1 76 76 VAL N N 76 124.569 124.569 125.998 -1.429 18081 10866 1 17 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.288 0.005 18081 10867 1 17 . 1 1 76 76 VAL C C 76 175.843 175.843 175.667 0.176 18081 10868 1 17 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.834 0.865 18081 10869 1 17 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.297 -3.929 18081 10870 1 17 . 1 1 76 76 VAL H H 76 6.558 6.558 8.327 -1.769 18081 10871 1 17 . 1 1 77 77 GLU N N 77 132.091 132.091 127.054 5.037 18081 10872 1 17 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.156 -0.267 18081 10873 1 17 . 1 1 77 77 GLU C C 77 176.941 176.941 177.340 -0.399 18081 10874 1 17 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.396 1.301 18081 10875 1 17 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.670 0.545 18081 10876 1 17 . 1 1 77 77 GLU H H 77 8.977 8.977 8.457 0.520 18081 10877 1 17 . 1 1 78 78 GLY N N 78 111.143 111.143 107.880 3.263 18081 10878 1 17 . 1 1 78 78 GLY C C 78 174.152 174.152 174.100 0.052 18081 10879 1 17 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.618 -0.358 18081 10880 1 17 . 1 1 78 78 GLY H H 78 8.052 8.052 8.886 -0.834 18081 10881 1 17 . 1 1 79 79 THR N N 79 109.705 109.705 116.411 -6.706 18081 10882 1 17 . 1 1 79 79 THR HA H 79 4.949 4.949 4.543 0.406 18081 10883 1 17 . 1 1 79 79 THR C C 79 173.397 173.397 173.110 0.287 18081 10884 1 17 . 1 1 79 79 THR CA C 79 60.076 60.076 60.635 -0.559 18081 10885 1 17 . 1 1 79 79 THR CB C 79 72.829 72.829 71.283 1.546 18081 10886 1 17 . 1 1 79 79 THR H H 79 7.810 7.810 7.587 0.223 18081 10887 1 17 . 1 1 80 80 ASN N N 80 116.427 116.427 121.987 -5.560 18081 10888 1 17 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.825 0.095 18081 10889 1 17 . 1 1 80 80 ASN C C 80 175.665 175.665 174.273 1.392 18081 10890 1 17 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.160 -1.137 18081 10891 1 17 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.301 0.231 18081 10892 1 17 . 1 1 80 80 ASN H H 80 7.856 7.856 8.829 -0.973 18081 10893 1 17 . 1 1 81 81 ILE N N 81 121.552 121.552 122.016 -0.464 18081 10894 1 17 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.763 0.034 18081 10895 1 17 . 1 1 81 81 ILE C C 81 176.564 176.564 174.131 2.433 18081 10896 1 17 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.271 1.252 18081 10897 1 17 . 1 1 81 81 ILE CB C 81 38.101 38.101 37.709 0.392 18081 10898 1 17 . 1 1 81 81 ILE H H 81 8.493 8.493 7.747 0.746 18081 10899 1 17 . 1 1 82 82 ASN N N 82 131.507 131.507 127.323 4.184 18081 10900 1 17 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.699 0.452 18081 10901 1 17 . 1 1 82 82 ASN C C 82 173.025 173.025 173.923 -0.898 18081 10902 1 17 . 1 1 82 82 ASN CA C 82 54.267 54.267 52.308 1.959 18081 10903 1 17 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.425 0.381 18081 10904 1 17 . 1 1 82 82 ASN H H 82 8.911 8.911 8.315 0.596 18081 10905 1 17 . 1 1 83 83 VAL N N 83 120.866 120.866 119.652 1.214 18081 10906 1 17 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.347 0.318 18081 10907 1 17 . 1 1 83 83 VAL C C 83 173.954 173.954 174.051 -0.097 18081 10908 1 17 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.492 -1.371 18081 10909 1 17 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.186 2.467 18081 10910 1 17 . 1 1 83 83 VAL H H 83 8.356 8.356 8.103 0.253 18081 10911 1 17 . 1 1 84 84 GLU N N 84 125.997 125.997 124.952 1.045 18081 10912 1 17 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.578 0.009 18081 10913 1 17 . 1 1 84 84 GLU C C 84 174.600 174.600 174.904 -0.304 18081 10914 1 17 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.976 0.051 18081 10915 1 17 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.790 -0.981 18081 10916 1 17 . 1 1 84 84 GLU H H 84 8.534 8.534 8.463 0.071 18081 10917 1 17 . 1 1 85 85 VAL N N 85 125.888 125.888 123.974 1.914 18081 10918 1 17 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.333 -0.284 18081 10919 1 17 . 1 1 85 85 VAL C C 85 173.256 173.256 173.885 -0.629 18081 10920 1 17 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.847 0.669 18081 10921 1 17 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.572 -1.786 18081 10922 1 17 . 1 1 85 85 VAL H H 85 8.782 8.782 8.140 0.642 18081 10923 1 17 . 1 1 86 86 LEU N N 86 128.745 128.745 127.026 1.719 18081 10924 1 17 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.410 0.391 18081 10925 1 17 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.638 -1.704 18081 10926 1 17 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.187 1.223 18081 10927 1 17 . 1 1 86 86 LEU H H 86 9.131 9.131 8.383 0.748 18081 10928 1 17 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.584 0.080 18081 10929 1 17 . 1 1 87 87 PRO C C 87 178.454 178.454 177.480 0.974 18081 10930 1 17 . 1 1 87 87 PRO CA C 87 62.612 62.612 62.752 -0.140 18081 10931 1 17 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.569 -1.364 18081 10932 1 17 . 1 1 88 88 GLY N N 88 112.804 112.804 108.507 4.297 18081 10933 1 17 . 1 1 88 88 GLY C C 88 173.451 173.451 173.042 0.409 18081 10934 1 17 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.144 -0.062 18081 10935 1 17 . 1 1 88 88 GLY H H 88 9.103 9.103 8.472 0.631 18081 10936 1 17 . 1 1 89 89 GLU N N 89 118.355 118.355 116.360 1.995 18081 10937 1 17 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.515 0.585 18081 10938 1 17 . 1 1 89 89 GLU C C 89 176.719 176.719 174.891 1.828 18081 10939 1 17 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.483 -0.236 18081 10940 1 17 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.424 0.439 18081 10941 1 17 . 1 1 89 89 GLU H H 89 7.764 7.764 7.521 0.243 18081 10942 1 17 . 1 1 90 90 VAL N N 90 127.142 127.142 123.428 3.714 18081 10943 1 17 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.665 -0.165 18081 10944 1 17 . 1 1 90 90 VAL C C 90 176.838 176.838 176.401 0.437 18081 10945 1 17 . 1 1 90 90 VAL CA C 90 61.856 61.856 62.298 -0.442 18081 10946 1 17 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.926 0.212 18081 10947 1 17 . 1 1 90 90 VAL H H 90 8.830 8.830 8.502 0.328 18081 10948 1 17 . 1 1 91 91 SER N N 91 127.859 127.859 123.238 4.621 18081 10949 1 17 . 1 1 91 91 SER HA H 91 4.924 4.924 4.808 0.116 18081 10950 1 17 . 1 1 91 91 SER C C 91 173.015 173.015 173.968 -0.953 18081 10951 1 17 . 1 1 91 91 SER CA C 91 58.118 58.118 56.929 1.189 18081 10952 1 17 . 1 1 91 91 SER CB C 91 63.931 63.931 64.283 -0.352 18081 10953 1 17 . 1 1 91 91 SER H H 91 9.710 9.710 8.451 1.259 18081 10954 1 17 . 1 1 92 92 THR N N 92 122.627 122.627 124.412 -1.785 18081 10955 1 17 . 1 1 92 92 THR HA H 92 5.682 5.682 4.945 0.737 18081 10956 1 17 . 1 1 92 92 THR C C 92 174.480 174.480 174.361 0.119 18081 10957 1 17 . 1 1 92 92 THR CA C 92 61.856 61.856 62.681 -0.825 18081 10958 1 17 . 1 1 92 92 THR CB C 92 70.160 70.160 69.389 0.771 18081 10959 1 17 . 1 1 92 92 THR H H 92 8.864 8.864 8.695 0.169 18081 10960 1 17 . 1 1 93 93 VAL N N 93 126.698 126.698 128.229 -1.531 18081 10961 1 17 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.383 0.124 18081 10962 1 17 . 1 1 93 93 VAL C C 93 173.002 173.002 174.740 -1.738 18081 10963 1 17 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.898 -0.244 18081 10964 1 17 . 1 1 93 93 VAL CB C 93 35.653 35.653 33.977 1.676 18081 10965 1 17 . 1 1 93 93 VAL H H 93 8.806 8.806 8.511 0.295 18081 10966 1 17 . 1 1 94 94 ARG N N 94 126.396 126.396 127.980 -1.584 18081 10967 1 17 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.425 0.465 18081 10968 1 17 . 1 1 94 94 ARG C C 94 175.885 175.885 175.703 0.182 18081 10969 1 17 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.870 -0.489 18081 10970 1 17 . 1 1 94 94 ARG CB C 94 32.588 32.588 29.980 2.608 18081 10971 1 17 . 1 1 94 94 ARG H H 94 8.630 8.630 8.760 -0.130 18081 10972 1 17 . 1 1 95 95 TYR N N 95 126.390 126.390 126.992 -0.602 18081 10973 1 17 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.712 -0.392 18081 10974 1 17 . 1 1 95 95 TYR C C 95 172.683 172.683 173.809 -1.126 18081 10975 1 17 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.199 1.387 18081 10976 1 17 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.125 3.328 18081 10977 1 17 . 1 1 95 95 TYR H H 95 9.623 9.623 8.295 1.328 18081 10978 1 17 . 1 1 96 96 THR N N 96 121.396 121.396 121.511 -0.115 18081 10979 1 17 . 1 1 96 96 THR HA H 96 4.684 4.684 4.614 0.070 18081 10980 1 17 . 1 1 96 96 THR C C 96 172.729 172.729 172.911 -0.182 18081 10981 1 17 . 1 1 96 96 THR CA C 96 61.322 61.322 60.829 0.493 18081 10982 1 17 . 1 1 96 96 THR CB C 96 70.160 70.160 70.494 -0.334 18081 10983 1 17 . 1 1 96 96 THR H H 96 6.742 6.742 7.745 -1.003 18081 10984 1 17 . 1 1 97 97 PHE N N 97 126.539 126.539 125.715 0.824 18081 10985 1 17 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.452 0.001 18081 10986 1 17 . 1 1 97 97 PHE C C 97 176.075 176.075 175.661 0.414 18081 10987 1 17 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.770 0.437 18081 10988 1 17 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.215 -1.307 18081 10989 1 17 . 1 1 97 97 PHE H H 97 8.933 8.933 8.702 0.231 18081 10990 1 17 . 1 1 98 98 LYS N N 98 123.417 123.417 118.230 5.187 18081 10991 1 17 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.392 0.001 18081 10992 1 17 . 1 1 98 98 LYS C C 98 175.939 175.939 175.729 0.210 18081 10993 1 17 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.512 0.271 18081 10994 1 17 . 1 1 98 98 LYS CB C 98 32.984 32.984 34.144 -1.159 18081 10995 1 17 . 1 1 98 98 LYS H H 98 8.604 8.604 8.512 0.092 18081 10996 1 17 . 1 1 99 99 ARG N N 99 118.424 118.424 119.314 -0.890 18081 10997 1 17 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.940 0.080 18081 10998 1 17 . 1 1 99 99 ARG C C 99 174.332 174.332 173.567 0.765 18081 10999 1 17 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.226 -0.625 18081 11000 1 17 . 1 1 99 99 ARG CB C 99 31.600 31.600 32.428 -0.828 18081 11001 1 17 . 1 1 99 99 ARG H H 99 7.801 7.801 7.982 -0.181 18081 11002 1 17 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.378 0.005 18081 11003 1 17 . 1 1 100 100 PRO C C 100 175.190 175.190 176.705 -1.515 18081 11004 1 17 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.594 -0.026 18081 11005 1 17 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.346 0.242 18081 11006 1 17 . 1 1 101 101 GLY N N 101 108.626 108.626 107.516 1.110 18081 11007 1 17 . 1 1 101 101 GLY C C 101 171.375 171.375 172.502 -1.127 18081 11008 1 17 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.848 -0.745 18081 11009 1 17 . 1 1 101 101 GLY H H 101 8.685 8.685 7.801 0.884 18081 11010 1 17 . 1 1 102 102 GLU N N 102 119.327 119.327 123.459 -4.132 18081 11011 1 17 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.326 0.825 18081 11012 1 17 . 1 1 102 102 GLU C C 102 176.066 176.066 175.260 0.806 18081 11013 1 17 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.309 0.095 18081 11014 1 17 . 1 1 102 102 GLU CB C 102 31.204 31.204 30.306 0.898 18081 11015 1 17 . 1 1 102 102 GLU H H 102 8.144 8.144 8.379 -0.235 18081 11016 1 17 . 1 1 103 103 TYR N N 103 125.807 125.807 121.800 4.007 18081 11017 1 17 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.928 -0.282 18081 11018 1 17 . 1 1 103 103 TYR C C 103 174.711 174.711 173.576 1.135 18081 11019 1 17 . 1 1 103 103 TYR CA C 103 56.338 56.338 57.154 -0.816 18081 11020 1 17 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.084 0.105 18081 11021 1 17 . 1 1 103 103 TYR H H 103 9.687 9.687 7.786 1.901 18081 11022 1 17 . 1 1 104 104 ARG N N 104 124.463 124.463 121.729 2.734 18081 11023 1 17 . 1 1 104 104 ARG HA H 104 4.627 4.627 5.069 -0.442 18081 11024 1 17 . 1 1 104 104 ARG C C 104 174.570 174.570 175.378 -0.808 18081 11025 1 17 . 1 1 104 104 ARG CA C 104 56.765 56.765 54.565 2.200 18081 11026 1 17 . 1 1 104 104 ARG CB C 104 31.698 31.698 33.618 -1.920 18081 11027 1 17 . 1 1 104 104 ARG H H 104 8.902 8.902 8.467 0.435 18081 11028 1 17 . 1 1 105 105 ILE N N 105 124.589 124.589 118.397 6.192 18081 11029 1 17 . 1 1 105 105 ILE HA H 105 4.369 4.369 3.797 0.572 18081 11030 1 17 . 1 1 105 105 ILE C C 105 175.576 175.576 174.595 0.981 18081 11031 1 17 . 1 1 105 105 ILE CA C 105 59.935 59.935 62.035 -2.100 18081 11032 1 17 . 1 1 105 105 ILE CB C 105 39.811 39.811 37.778 2.033 18081 11033 1 17 . 1 1 105 105 ILE H H 105 8.289 8.289 8.789 -0.500 18081 11034 1 17 . 1 1 106 106 ILE N N 106 121.777 121.777 123.851 -2.074 18081 11035 1 17 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.435 0.603 18081 11036 1 17 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.670 -1.447 18081 11037 1 17 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.058 3.417 18081 11038 1 17 . 1 1 106 106 ILE H H 106 8.765 8.765 8.688 0.077 18081 11039 1 17 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.505 -0.383 18081 11040 1 17 . 1 1 109 109 GLN C C 109 175.724 175.724 175.343 0.381 18081 11041 1 17 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.017 0.455 18081 11042 1 17 . 1 1 109 109 GLN CB C 109 29.128 29.128 28.758 0.370 18081 11043 1 17 . 1 1 110 110 TYR N N 110 120.856 120.856 118.146 2.710 18081 11044 1 17 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.064 0.425 18081 11045 1 17 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.050 -1.065 18081 11046 1 17 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.267 -0.340 18081 11047 1 17 . 1 1 110 110 TYR H H 110 8.191 8.191 8.046 0.145 18081 11048 1 17 . 1 1 111 111 CYS N N 111 120.561 120.561 117.324 3.237 18081 11049 1 17 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.175 0.208 18081 11050 1 17 . 1 1 111 111 CYS C C 111 174.692 174.692 174.140 0.552 18081 11051 1 17 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.739 -1.122 18081 11052 1 17 . 1 1 111 111 CYS CB C 111 27.976 27.976 26.849 1.127 18081 11053 1 17 . 1 1 111 111 CYS H H 111 8.166 8.166 8.320 -0.154 18081 11054 1 17 . 1 1 112 112 GLY N N 112 111.467 111.467 108.472 2.995 18081 11055 1 17 . 1 1 112 112 GLY C C 112 173.900 173.900 174.468 -0.568 18081 11056 1 17 . 1 1 112 112 GLY CA C 112 45.145 45.145 45.305 -0.160 18081 11057 1 17 . 1 1 112 112 GLY H H 112 8.239 8.239 8.181 0.058 18081 11058 1 17 . 1 1 113 113 LEU N N 113 122.150 122.150 122.318 -0.168 18081 11059 1 17 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.466 -0.142 18081 11060 1 17 . 1 1 113 113 LEU C C 113 178.068 178.068 177.899 0.169 18081 11061 1 17 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.338 0.380 18081 11062 1 17 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.534 -0.455 18081 11063 1 17 . 1 1 113 113 LEU H H 113 8.179 8.179 7.860 0.319 18081 11064 1 17 . 1 1 114 114 GLY N N 114 109.278 109.278 105.969 3.309 18081 11065 1 17 . 1 1 114 114 GLY C C 114 174.142 174.142 174.789 -0.647 18081 11066 1 17 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.019 0.330 18081 11067 1 17 . 1 1 114 114 GLY H H 114 8.393 8.393 8.438 -0.045 18081 11068 1 17 . 1 1 117 117 ASN N N 117 120.387 120.387 115.996 4.391 18081 11069 1 17 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.762 -0.084 18081 11070 1 17 . 1 1 117 117 ASN C C 117 174.422 174.422 174.309 0.113 18081 11071 1 17 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.263 -0.084 18081 11072 1 17 . 1 1 117 117 ASN CB C 117 39.015 39.015 39.580 -0.565 18081 11073 1 17 . 1 1 117 117 ASN H H 117 8.522 8.522 8.062 0.460 18081 11074 1 17 . 1 1 118 118 MET N N 118 120.526 120.526 122.256 -1.730 18081 11075 1 17 . 1 1 118 118 MET C C 118 173.321 173.321 175.877 -2.556 18081 11076 1 17 . 1 1 118 118 MET CA C 118 55.360 55.360 55.298 0.062 18081 11077 1 17 . 1 1 118 118 MET CB C 118 34.467 34.467 33.818 0.649 18081 11078 1 17 . 1 1 118 118 MET H H 118 7.981 7.981 8.208 -0.227 18081 11079 1 17 . 1 1 119 119 PHE N N 119 119.704 119.704 119.839 -0.135 18081 11080 1 17 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.685 1.137 18081 11081 1 17 . 1 1 119 119 PHE C C 119 174.894 174.894 176.444 -1.550 18081 11082 1 17 . 1 1 119 119 PHE CA C 119 56.116 56.116 56.804 -0.688 18081 11083 1 17 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.121 3.256 18081 11084 1 17 . 1 1 119 119 PHE H H 119 8.068 8.068 8.243 -0.175 18081 11085 1 17 . 1 1 120 120 GLY N N 120 109.869 109.869 111.284 -1.415 18081 11086 1 17 . 1 1 120 120 GLY C C 120 172.817 172.817 172.764 0.053 18081 11087 1 17 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.757 -0.476 18081 11088 1 17 . 1 1 120 120 GLY H H 120 8.984 8.984 8.848 0.136 18081 11089 1 17 . 1 1 121 121 THR N N 121 115.820 115.820 113.541 2.279 18081 11090 1 17 . 1 1 121 121 THR HA H 121 5.068 5.068 4.610 0.458 18081 11091 1 17 . 1 1 121 121 THR C C 121 173.062 173.062 173.004 0.058 18081 11092 1 17 . 1 1 121 121 THR CA C 121 62.745 62.745 61.829 0.916 18081 11093 1 17 . 1 1 121 121 THR CB C 121 72.533 72.533 70.618 1.915 18081 11094 1 17 . 1 1 121 121 THR H H 121 8.123 8.123 8.409 -0.286 18081 11095 1 17 . 1 1 122 122 ILE N N 122 127.420 127.420 126.384 1.036 18081 11096 1 17 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.417 0.418 18081 11097 1 17 . 1 1 122 122 ILE C C 122 174.260 174.260 173.372 0.888 18081 11098 1 17 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.374 -0.298 18081 11099 1 17 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.957 -2.558 18081 11100 1 17 . 1 1 122 122 ILE H H 122 9.152 9.152 8.158 0.994 18081 11101 1 17 . 1 1 123 123 VAL N N 123 130.032 130.032 124.686 5.346 18081 11102 1 17 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.036 0.343 18081 11103 1 17 . 1 1 123 123 VAL C C 123 174.012 174.012 173.997 0.015 18081 11104 1 17 . 1 1 123 123 VAL CA C 123 61.811 61.811 60.986 0.826 18081 11105 1 17 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.155 -1.875 18081 11106 1 17 . 1 1 123 123 VAL H H 123 9.601 9.601 8.257 1.344 18081 11107 1 17 . 1 1 124 124 VAL N N 124 128.765 128.765 127.600 1.165 18081 11108 1 17 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.530 0.169 18081 11109 1 17 . 1 1 124 124 VAL C C 124 177.239 177.239 175.402 1.837 18081 11110 1 17 . 1 1 124 124 VAL CA C 124 60.565 60.565 61.122 -0.557 18081 11111 1 17 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.901 -1.598 18081 11112 1 17 . 1 1 124 124 VAL H H 124 9.056 9.056 7.849 1.207 18081 11113 1 17 . 1 1 125 125 LYS N N 125 129.953 129.953 127.703 2.250 18081 11114 1 17 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.659 -0.318 18081 11115 1 17 . 1 1 125 125 LYS C C 125 175.317 175.317 175.572 -0.255 18081 11116 1 17 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.978 1.471 18081 11117 1 17 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.355 0.222 18081 11118 1 17 . 1 1 125 125 LYS H H 125 8.854 8.854 8.656 0.198 18081 11119 1 18 . 1 1 2 2 VAL N N 2 126.137 126.137 122.366 3.771 18081 11120 1 18 . 1 1 2 2 VAL HA H 2 4.026 4.026 3.908 0.118 18081 11121 1 18 . 1 1 2 2 VAL C C 2 176.484 176.484 173.559 2.925 18081 11122 1 18 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.955 -0.387 18081 11123 1 18 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.822 0.569 18081 11124 1 18 . 1 1 2 2 VAL H H 2 8.035 8.035 8.006 0.029 18081 11125 1 18 . 1 1 3 3 ILE N N 3 124.059 124.059 121.343 2.716 18081 11126 1 18 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.756 -0.261 18081 11127 1 18 . 1 1 3 3 ILE C C 3 174.606 174.606 174.345 0.261 18081 11128 1 18 . 1 1 3 3 ILE CA C 3 58.385 58.385 57.769 0.616 18081 11129 1 18 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.226 0.295 18081 11130 1 18 . 1 1 3 3 ILE H H 3 7.856 7.856 7.756 0.100 18081 11131 1 18 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.556 -0.183 18081 11132 1 18 . 1 1 4 4 PRO C C 4 176.585 176.585 176.267 0.318 18081 11133 1 18 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.555 0.635 18081 11134 1 18 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.457 -0.493 18081 11135 1 18 . 1 1 5 5 ALA N N 5 125.371 125.371 121.633 3.738 18081 11136 1 18 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.515 -0.228 18081 11137 1 18 . 1 1 5 5 ALA C C 5 178.454 178.454 177.376 1.078 18081 11138 1 18 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.402 0.333 18081 11139 1 18 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.354 -0.311 18081 11140 1 18 . 1 1 5 5 ALA H H 5 8.458 8.458 8.628 -0.170 18081 11141 1 18 . 1 1 6 6 GLY N N 6 108.626 108.626 110.635 -2.009 18081 11142 1 18 . 1 1 6 6 GLY C C 6 173.996 173.996 174.070 -0.074 18081 11143 1 18 . 1 1 6 6 GLY CA C 6 45.171 45.171 44.800 0.371 18081 11144 1 18 . 1 1 6 6 GLY H H 6 8.378 8.378 8.384 -0.006 18081 11145 1 18 . 1 1 7 7 LYS N N 7 121.320 121.320 122.867 -1.547 18081 11146 1 18 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.737 -0.408 18081 11147 1 18 . 1 1 7 7 LYS C C 7 176.362 176.362 176.218 0.144 18081 11148 1 18 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.696 0.420 18081 11149 1 18 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.363 -1.379 18081 11150 1 18 . 1 1 7 7 LYS H H 7 7.976 7.976 8.291 -0.315 18081 11151 1 18 . 1 1 8 8 LEU N N 8 124.548 124.548 117.534 7.014 18081 11152 1 18 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.146 0.245 18081 11153 1 18 . 1 1 8 8 LEU C C 8 176.772 176.772 175.149 1.623 18081 11154 1 18 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.806 -0.624 18081 11155 1 18 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.100 0.375 18081 11156 1 18 . 1 1 8 8 LEU H H 8 8.283 8.283 8.368 -0.085 18081 11157 1 18 . 1 1 9 9 GLU N N 9 124.888 124.888 119.358 5.530 18081 11158 1 18 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.617 -0.227 18081 11159 1 18 . 1 1 9 9 GLU C C 9 174.919 174.919 175.274 -0.355 18081 11160 1 18 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.045 1.427 18081 11161 1 18 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.182 -1.571 18081 11162 1 18 . 1 1 9 9 GLU H H 9 8.679 8.679 8.553 0.126 18081 11163 1 18 . 1 1 10 10 ARG N N 10 123.557 123.557 123.063 0.494 18081 11164 1 18 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.470 0.502 18081 11165 1 18 . 1 1 10 10 ARG C C 10 175.727 175.727 176.058 -0.331 18081 11166 1 18 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.604 -0.519 18081 11167 1 18 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.549 0.996 18081 11168 1 18 . 1 1 10 10 ARG H H 10 8.248 8.248 8.548 -0.300 18081 11169 1 18 . 1 1 11 11 VAL N N 11 118.077 118.077 119.072 -0.995 18081 11170 1 18 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.419 -0.039 18081 11171 1 18 . 1 1 11 11 VAL C C 11 173.297 173.297 173.869 -0.572 18081 11172 1 18 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.276 0.310 18081 11173 1 18 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.198 0.565 18081 11174 1 18 . 1 1 11 11 VAL H H 11 8.039 8.039 7.815 0.224 18081 11175 1 18 . 1 1 12 12 ASP N N 12 123.786 123.786 117.042 6.744 18081 11176 1 18 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.038 -0.087 18081 11177 1 18 . 1 1 12 12 ASP CA C 12 50.599 50.599 52.148 -1.549 18081 11178 1 18 . 1 1 12 12 ASP CB C 12 41.388 41.388 44.332 -2.944 18081 11179 1 18 . 1 1 12 12 ASP H H 12 8.313 8.313 8.056 0.257 18081 11180 1 18 . 1 1 13 13 PRO C C 13 177.705 177.705 177.974 -0.269 18081 11181 1 18 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.308 0.431 18081 11182 1 18 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.924 -0.302 18081 11183 1 18 . 1 1 14 14 THR N N 14 109.188 109.188 115.089 -5.901 18081 11184 1 18 . 1 1 14 14 THR HA H 14 4.252 4.252 4.065 0.187 18081 11185 1 18 . 1 1 14 14 THR C C 14 176.733 176.733 175.397 1.336 18081 11186 1 18 . 1 1 14 14 THR CA C 14 63.996 63.996 65.390 -1.394 18081 11187 1 18 . 1 1 14 14 THR CB C 14 69.270 69.270 68.833 0.437 18081 11188 1 18 . 1 1 14 14 THR H H 14 8.413 8.413 8.017 0.396 18081 11189 1 18 . 1 1 15 15 THR N N 15 108.904 108.904 110.605 -1.701 18081 11190 1 18 . 1 1 15 15 THR HA H 15 4.733 4.733 4.514 0.219 18081 11191 1 18 . 1 1 15 15 THR C C 15 177.174 177.174 173.853 3.321 18081 11192 1 18 . 1 1 15 15 THR CA C 15 61.589 61.589 61.439 0.150 18081 11193 1 18 . 1 1 15 15 THR CB C 15 70.654 70.654 69.748 0.906 18081 11194 1 18 . 1 1 15 15 THR H H 15 7.413 7.413 8.104 -0.691 18081 11195 1 18 . 1 1 16 16 VAL N N 16 122.387 122.387 123.402 -1.015 18081 11196 1 18 . 1 1 16 16 VAL HA H 16 4.198 4.198 4.054 0.144 18081 11197 1 18 . 1 1 16 16 VAL C C 16 175.683 175.683 175.295 0.388 18081 11198 1 18 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.531 -0.079 18081 11199 1 18 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.235 -0.734 18081 11200 1 18 . 1 1 16 16 VAL H H 16 7.143 7.143 7.333 -0.190 18081 11201 1 18 . 1 1 17 17 ARG N N 17 115.917 115.917 116.703 -0.786 18081 11202 1 18 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.282 -0.011 18081 11203 1 18 . 1 1 17 17 ARG C C 17 175.861 175.861 178.085 -2.224 18081 11204 1 18 . 1 1 17 17 ARG CA C 17 57.050 57.050 58.501 -1.451 18081 11205 1 18 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.926 0.100 18081 11206 1 18 . 1 1 17 17 ARG H H 17 8.227 8.227 8.373 -0.146 18081 11207 1 18 . 1 1 18 18 GLN N N 18 117.044 117.044 116.089 0.955 18081 11208 1 18 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.391 0.008 18081 11209 1 18 . 1 1 18 18 GLN C C 18 175.506 175.506 175.512 -0.006 18081 11210 1 18 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.439 0.700 18081 11211 1 18 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.322 1.487 18081 11212 1 18 . 1 1 18 18 GLN H H 18 7.765 7.765 8.115 -0.350 18081 11213 1 18 . 1 1 19 19 GLU N N 19 118.659 118.659 119.313 -0.654 18081 11214 1 18 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.409 0.150 18081 11215 1 18 . 1 1 19 19 GLU C C 19 175.081 175.081 175.247 -0.166 18081 11216 1 18 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.660 -0.478 18081 11217 1 18 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.567 0.824 18081 11218 1 18 . 1 1 19 19 GLU H H 19 8.070 8.070 7.943 0.127 18081 11219 1 18 . 1 1 20 20 GLY N N 20 113.694 113.694 112.662 1.032 18081 11220 1 18 . 1 1 20 20 GLY C C 20 174.150 174.150 172.328 1.822 18081 11221 1 18 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.835 -0.287 18081 11222 1 18 . 1 1 20 20 GLY H H 20 8.933 8.933 8.127 0.806 18081 11223 1 18 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.152 -0.479 18081 11224 1 18 . 1 1 21 21 PRO C C 21 176.703 176.703 176.937 -0.234 18081 11225 1 18 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.581 0.300 18081 11226 1 18 . 1 1 21 21 PRO CB C 21 30.037 30.037 30.985 -0.948 18081 11227 1 18 . 1 1 22 22 TRP N N 22 117.898 117.898 115.965 1.933 18081 11228 1 18 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.703 -0.388 18081 11229 1 18 . 1 1 22 22 TRP C C 22 174.965 174.965 176.676 -1.711 18081 11230 1 18 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.590 2.932 18081 11231 1 18 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.545 0.726 18081 11232 1 18 . 1 1 22 22 TRP H H 22 8.759 8.759 8.163 0.596 18081 11233 1 18 . 1 1 23 23 ALA N N 23 120.887 120.887 121.801 -0.914 18081 11234 1 18 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.445 -0.521 18081 11235 1 18 . 1 1 23 23 ALA C C 23 177.520 177.520 178.151 -0.631 18081 11236 1 18 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.339 1.442 18081 11237 1 18 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.492 -0.945 18081 11238 1 18 . 1 1 23 23 ALA H H 23 7.232 7.232 7.004 0.228 18081 11239 1 18 . 1 1 24 24 ASP N N 24 115.176 115.176 116.684 -1.508 18081 11240 1 18 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.090 0.096 18081 11241 1 18 . 1 1 24 24 ASP C C 24 176.860 176.860 175.525 1.335 18081 11242 1 18 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.051 -1.431 18081 11243 1 18 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.821 -1.334 18081 11244 1 18 . 1 1 24 24 ASP H H 24 7.718 7.718 7.578 0.140 18081 11245 1 18 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.473 -0.174 18081 11246 1 18 . 1 1 25 25 PRO C C 25 177.445 177.445 177.266 0.179 18081 11247 1 18 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.644 -0.163 18081 11248 1 18 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.104 -0.208 18081 11249 1 18 . 1 1 26 26 ALA N N 26 120.150 120.150 122.570 -2.420 18081 11250 1 18 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.276 0.029 18081 11251 1 18 . 1 1 26 26 ALA C C 26 179.061 179.061 178.282 0.779 18081 11252 1 18 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.003 -0.156 18081 11253 1 18 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.507 -0.255 18081 11254 1 18 . 1 1 26 26 ALA H H 26 8.158 8.158 8.238 -0.080 18081 11255 1 18 . 1 1 27 27 GLN N N 27 117.617 117.617 115.345 2.272 18081 11256 1 18 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.506 0.189 18081 11257 1 18 . 1 1 27 27 GLN C C 27 175.309 175.309 175.655 -0.346 18081 11258 1 18 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.618 -0.360 18081 11259 1 18 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.451 0.281 18081 11260 1 18 . 1 1 27 27 GLN H H 27 7.732 7.732 7.648 0.084 18081 11261 1 18 . 1 1 28 28 ALA N N 28 122.069 122.069 122.949 -0.880 18081 11262 1 18 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.288 0.093 18081 11263 1 18 . 1 1 28 28 ALA C C 28 176.358 176.358 177.117 -0.759 18081 11264 1 18 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.428 1.153 18081 11265 1 18 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.639 1.282 18081 11266 1 18 . 1 1 28 28 ALA H H 28 6.996 6.996 7.502 -0.506 18081 11267 1 18 . 1 1 29 29 VAL N N 29 114.478 114.478 116.954 -2.476 18081 11268 1 18 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.831 -0.124 18081 11269 1 18 . 1 1 29 29 VAL C C 29 176.252 176.252 175.166 1.086 18081 11270 1 18 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.849 1.141 18081 11271 1 18 . 1 1 29 29 VAL CB C 29 31.600 31.600 33.145 -1.545 18081 11272 1 18 . 1 1 29 29 VAL H H 29 7.868 7.868 7.856 0.012 18081 11273 1 18 . 1 1 30 30 VAL N N 30 129.718 129.718 125.943 3.775 18081 11274 1 18 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.524 -0.137 18081 11275 1 18 . 1 1 30 30 VAL C C 30 175.107 175.107 174.734 0.373 18081 11276 1 18 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.526 0.217 18081 11277 1 18 . 1 1 30 30 VAL CB C 30 35.258 35.258 36.160 -0.902 18081 11278 1 18 . 1 1 30 30 VAL H H 30 9.556 9.556 7.989 1.567 18081 11279 1 18 . 1 1 31 31 GLN N N 31 129.372 129.372 125.107 4.265 18081 11280 1 18 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.170 -0.029 18081 11281 1 18 . 1 1 31 31 GLN C C 31 176.413 176.413 176.090 0.323 18081 11282 1 18 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.335 -0.285 18081 11283 1 18 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.921 -1.870 18081 11284 1 18 . 1 1 31 31 GLN H H 31 9.153 9.153 8.785 0.368 18081 11285 1 18 . 1 1 32 32 THR N N 32 119.775 119.775 116.970 2.805 18081 11286 1 18 . 1 1 32 32 THR HA H 32 4.392 4.392 4.581 -0.189 18081 11287 1 18 . 1 1 32 32 THR C C 32 174.102 174.102 174.783 -0.681 18081 11288 1 18 . 1 1 32 32 THR CA C 32 61.678 61.678 61.594 0.084 18081 11289 1 18 . 1 1 32 32 THR CB C 32 68.775 68.775 70.276 -1.502 18081 11290 1 18 . 1 1 32 32 THR H H 32 8.266 8.266 8.158 0.108 18081 11291 1 18 . 1 1 33 33 GLY N N 33 111.761 111.761 110.688 1.073 18081 11292 1 18 . 1 1 33 33 GLY C C 33 170.586 170.586 172.131 -1.545 18081 11293 1 18 . 1 1 33 33 GLY CA C 33 45.082 45.082 42.941 2.141 18081 11294 1 18 . 1 1 33 33 GLY H H 33 7.997 7.997 7.547 0.450 18081 11295 1 18 . 1 1 34 34 PRO C C 34 176.674 176.674 176.281 0.393 18081 11296 1 18 . 1 1 34 34 PRO CA C 34 64.881 64.881 63.213 1.668 18081 11297 1 18 . 1 1 34 34 PRO CB C 34 31.361 31.361 30.940 0.421 18081 11298 1 18 . 1 1 35 35 ASN N N 35 117.681 117.681 119.716 -2.035 18081 11299 1 18 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.118 0.736 18081 11300 1 18 . 1 1 35 35 ASN C C 35 173.262 173.262 173.267 -0.005 18081 11301 1 18 . 1 1 35 35 ASN CA C 35 52.123 52.123 54.281 -2.158 18081 11302 1 18 . 1 1 35 35 ASN CB C 35 39.756 39.756 37.851 1.905 18081 11303 1 18 . 1 1 35 35 ASN H H 35 8.649 8.649 8.538 0.111 18081 11304 1 18 . 1 1 36 36 GLN N N 36 119.276 119.276 113.135 6.141 18081 11305 1 18 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.898 0.669 18081 11306 1 18 . 1 1 36 36 GLN C C 36 173.292 173.292 174.685 -1.393 18081 11307 1 18 . 1 1 36 36 GLN CA C 36 54.603 54.603 53.662 0.941 18081 11308 1 18 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.868 3.006 18081 11309 1 18 . 1 1 36 36 GLN H H 36 6.953 6.953 7.117 -0.164 18081 11310 1 18 . 1 1 37 37 TYR N N 37 125.339 125.339 124.387 0.952 18081 11311 1 18 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.810 0.254 18081 11312 1 18 . 1 1 37 37 TYR C C 37 174.321 174.321 175.852 -1.531 18081 11313 1 18 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.582 -0.110 18081 11314 1 18 . 1 1 37 37 TYR CB C 37 40.696 40.696 40.206 0.490 18081 11315 1 18 . 1 1 37 37 TYR H H 37 8.898 8.898 8.833 0.065 18081 11316 1 18 . 1 1 38 38 THR N N 38 121.935 121.935 120.622 1.313 18081 11317 1 18 . 1 1 38 38 THR HA H 38 5.098 5.098 4.545 0.553 18081 11318 1 18 . 1 1 38 38 THR C C 38 172.253 172.253 173.940 -1.687 18081 11319 1 18 . 1 1 38 38 THR CA C 38 61.589 61.589 62.294 -0.705 18081 11320 1 18 . 1 1 38 38 THR CB C 38 69.764 69.764 68.275 1.489 18081 11321 1 18 . 1 1 38 38 THR H H 38 9.592 9.592 8.987 0.605 18081 11322 1 18 . 1 1 39 39 VAL N N 39 126.189 126.189 129.142 -2.953 18081 11323 1 18 . 1 1 39 39 VAL HA H 39 5.101 5.101 3.927 1.174 18081 11324 1 18 . 1 1 39 39 VAL C C 39 174.612 174.612 174.320 0.292 18081 11325 1 18 . 1 1 39 39 VAL CA C 39 59.631 59.631 62.309 -2.678 18081 11326 1 18 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.044 2.027 18081 11327 1 18 . 1 1 39 39 VAL H H 39 8.710 8.710 8.239 0.471 18081 11328 1 18 . 1 1 40 40 TYR N N 40 130.243 130.243 126.752 3.491 18081 11329 1 18 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.000 -0.359 18081 11330 1 18 . 1 1 40 40 TYR C C 40 174.840 174.840 176.057 -1.217 18081 11331 1 18 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.696 1.956 18081 11332 1 18 . 1 1 40 40 TYR CB C 40 36.840 36.840 38.490 -1.650 18081 11333 1 18 . 1 1 40 40 TYR H H 40 9.139 9.139 8.008 1.131 18081 11334 1 18 . 1 1 41 41 VAL N N 41 124.415 124.415 120.361 4.054 18081 11335 1 18 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.729 0.611 18081 11336 1 18 . 1 1 41 41 VAL C C 41 175.680 175.680 174.557 1.123 18081 11337 1 18 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.208 -0.954 18081 11338 1 18 . 1 1 41 41 VAL CB C 41 34.862 34.862 33.369 1.493 18081 11339 1 18 . 1 1 41 41 VAL H H 41 8.686 8.686 8.907 -0.221 18081 11340 1 18 . 1 1 42 42 LEU N N 42 129.148 129.148 129.017 0.131 18081 11341 1 18 . 1 1 42 42 LEU HA H 42 5.146 5.146 5.136 0.010 18081 11342 1 18 . 1 1 42 42 LEU C C 42 175.161 175.161 174.801 0.360 18081 11343 1 18 . 1 1 42 42 LEU CA C 42 52.779 52.779 54.007 -1.228 18081 11344 1 18 . 1 1 42 42 LEU CB C 42 45.639 45.639 46.189 -0.550 18081 11345 1 18 . 1 1 42 42 LEU H H 42 9.694 9.694 8.601 1.093 18081 11346 1 18 . 1 1 43 43 ALA N N 43 130.434 130.434 128.209 2.225 18081 11347 1 18 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.329 0.393 18081 11348 1 18 . 1 1 43 43 ALA C C 43 173.292 173.292 174.654 -1.362 18081 11349 1 18 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.916 -1.762 18081 11350 1 18 . 1 1 43 43 ALA CB C 43 20.130 20.130 20.492 -0.362 18081 11351 1 18 . 1 1 43 43 ALA H H 43 8.679 8.679 8.059 0.620 18081 11352 1 18 . 1 1 44 44 PHE N N 44 118.472 118.472 116.938 1.534 18081 11353 1 18 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.883 0.326 18081 11354 1 18 . 1 1 44 44 PHE C C 44 172.698 172.698 174.295 -1.597 18081 11355 1 18 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.638 -2.513 18081 11356 1 18 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.525 1.148 18081 11357 1 18 . 1 1 44 44 PHE H H 44 7.756 7.756 7.464 0.292 18081 11358 1 18 . 1 1 45 45 ALA N N 45 122.901 122.901 123.277 -0.376 18081 11359 1 18 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.226 -0.813 18081 11360 1 18 . 1 1 45 45 ALA C C 45 177.267 177.267 176.949 0.318 18081 11361 1 18 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.362 -6.079 18081 11362 1 18 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.689 -2.909 18081 11363 1 18 . 1 1 45 45 ALA H H 45 9.739 9.739 8.748 0.991 18081 11364 1 18 . 1 1 46 46 PHE N N 46 128.515 128.515 120.592 7.923 18081 11365 1 18 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.665 0.555 18081 11366 1 18 . 1 1 46 46 PHE C C 46 173.387 173.387 175.605 -2.218 18081 11367 1 18 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.767 3.264 18081 11368 1 18 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.186 2.213 18081 11369 1 18 . 1 1 46 46 PHE H H 46 7.994 7.994 8.410 -0.416 18081 11370 1 18 . 1 1 47 47 GLY N N 47 113.741 113.741 111.551 2.190 18081 11371 1 18 . 1 1 47 47 GLY C C 47 167.774 167.774 172.498 -4.724 18081 11372 1 18 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.933 0.302 18081 11373 1 18 . 1 1 47 47 GLY H H 47 7.796 7.796 7.718 0.078 18081 11374 1 18 . 1 1 48 48 TYR N N 48 119.637 119.637 120.466 -0.829 18081 11375 1 18 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.698 0.640 18081 11376 1 18 . 1 1 48 48 TYR C C 48 175.042 175.042 173.536 1.506 18081 11377 1 18 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.891 -1.597 18081 11378 1 18 . 1 1 48 48 TYR CB C 48 41.962 41.962 41.081 0.881 18081 11379 1 18 . 1 1 48 48 TYR H H 48 8.370 8.370 8.658 -0.288 18081 11380 1 18 . 1 1 49 49 GLN N N 49 121.776 121.776 123.029 -1.253 18081 11381 1 18 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.898 -0.081 18081 11382 1 18 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.470 -1.136 18081 11383 1 18 . 1 1 49 49 GLN CB C 49 33.874 33.874 31.539 2.335 18081 11384 1 18 . 1 1 49 49 GLN H H 49 9.163 9.163 8.158 1.005 18081 11385 1 18 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.521 0.221 18081 11386 1 18 . 1 1 50 50 PRO C C 50 174.271 174.271 175.746 -1.475 18081 11387 1 18 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.846 -0.056 18081 11388 1 18 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.435 2.230 18081 11389 1 18 . 1 1 51 51 ASN N N 51 113.755 113.755 117.709 -3.954 18081 11390 1 18 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.015 0.065 18081 11391 1 18 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.606 -0.607 18081 11392 1 18 . 1 1 51 51 ASN CB C 51 40.696 40.696 39.651 1.045 18081 11393 1 18 . 1 1 51 51 ASN H H 51 8.229 8.229 8.436 -0.207 18081 11394 1 18 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.505 0.766 18081 11395 1 18 . 1 1 52 52 PRO C C 52 176.525 176.525 175.082 1.443 18081 11396 1 18 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.902 0.689 18081 11397 1 18 . 1 1 52 52 PRO CB C 52 34.907 34.907 32.073 2.834 18081 11398 1 18 . 1 1 53 53 ILE N N 53 120.452 120.452 122.940 -2.488 18081 11399 1 18 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.397 -0.331 18081 11400 1 18 . 1 1 53 53 ILE C C 53 174.236 174.236 174.687 -0.451 18081 11401 1 18 . 1 1 53 53 ILE CA C 53 61.500 61.500 59.124 2.376 18081 11402 1 18 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.117 -0.213 18081 11403 1 18 . 1 1 53 53 ILE H H 53 8.321 8.321 8.195 0.126 18081 11404 1 18 . 1 1 54 54 GLU N N 54 129.279 129.279 126.890 2.389 18081 11405 1 18 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.595 0.872 18081 11406 1 18 . 1 1 54 54 GLU C C 54 175.598 175.598 174.784 0.814 18081 11407 1 18 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.223 -0.219 18081 11408 1 18 . 1 1 54 54 GLU CB C 54 30.907 30.907 31.819 -0.912 18081 11409 1 18 . 1 1 54 54 GLU H H 54 8.458 8.458 8.387 0.071 18081 11410 1 18 . 1 1 55 55 VAL N N 55 115.767 115.767 124.894 -9.127 18081 11411 1 18 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.487 0.169 18081 11412 1 18 . 1 1 55 55 VAL C C 55 172.453 172.453 173.972 -1.519 18081 11413 1 18 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.649 -1.910 18081 11414 1 18 . 1 1 55 55 VAL CB C 55 33.972 33.972 32.837 1.135 18081 11415 1 18 . 1 1 55 55 VAL H H 55 8.492 8.492 9.037 -0.545 18081 11416 1 18 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.777 -0.110 18081 11417 1 18 . 1 1 56 56 PRO C C 56 177.445 177.445 177.190 0.255 18081 11418 1 18 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.115 -0.437 18081 11419 1 18 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.584 0.411 18081 11420 1 18 . 1 1 57 57 GLN N N 57 122.020 122.020 125.491 -3.471 18081 11421 1 18 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.176 -0.286 18081 11422 1 18 . 1 1 57 57 GLN C C 57 176.735 176.735 176.896 -0.161 18081 11423 1 18 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.468 0.404 18081 11424 1 18 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.644 -0.802 18081 11425 1 18 . 1 1 57 57 GLN H H 57 8.466 8.466 7.941 0.525 18081 11426 1 18 . 1 1 58 58 GLY N N 58 112.805 112.805 108.866 3.939 18081 11427 1 18 . 1 1 58 58 GLY C C 58 172.686 172.686 173.495 -0.809 18081 11428 1 18 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.327 1.045 18081 11429 1 18 . 1 1 58 58 GLY H H 58 8.713 8.713 8.319 0.394 18081 11430 1 18 . 1 1 59 59 ALA N N 59 122.839 122.839 122.348 0.491 18081 11431 1 18 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.529 0.022 18081 11432 1 18 . 1 1 59 59 ALA C C 59 176.659 176.659 175.239 1.420 18081 11433 1 18 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.813 -0.081 18081 11434 1 18 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.855 -1.131 18081 11435 1 18 . 1 1 59 59 ALA H H 59 6.982 6.982 7.342 -0.360 18081 11436 1 18 . 1 1 60 60 GLU N N 60 123.390 123.390 119.158 4.232 18081 11437 1 18 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.275 0.032 18081 11438 1 18 . 1 1 60 60 GLU C C 60 173.876 173.876 175.526 -1.650 18081 11439 1 18 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.709 0.119 18081 11440 1 18 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.880 -0.566 18081 11441 1 18 . 1 1 60 60 GLU H H 60 8.260 8.260 8.267 -0.007 18081 11442 1 18 . 1 1 61 61 ILE N N 61 130.883 130.883 122.239 8.644 18081 11443 1 18 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.563 0.259 18081 11444 1 18 . 1 1 61 61 ILE C C 61 175.267 175.267 174.891 0.376 18081 11445 1 18 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.959 -1.536 18081 11446 1 18 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.557 -3.805 18081 11447 1 18 . 1 1 61 61 ILE H H 61 9.103 9.103 8.396 0.707 18081 11448 1 18 . 1 1 62 62 VAL N N 62 127.879 127.879 127.564 0.315 18081 11449 1 18 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.856 -0.508 18081 11450 1 18 . 1 1 62 62 VAL C C 62 175.598 175.598 175.499 0.099 18081 11451 1 18 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.204 0.539 18081 11452 1 18 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.450 -0.245 18081 11453 1 18 . 1 1 62 62 VAL H H 62 8.992 8.992 9.046 -0.054 18081 11454 1 18 . 1 1 63 63 PHE N N 63 125.354 125.354 128.754 -3.400 18081 11455 1 18 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.498 0.495 18081 11456 1 18 . 1 1 63 63 PHE C C 63 175.507 175.507 175.254 0.253 18081 11457 1 18 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.205 -1.398 18081 11458 1 18 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.126 -0.518 18081 11459 1 18 . 1 1 63 63 PHE H H 63 9.521 9.521 8.681 0.840 18081 11460 1 18 . 1 1 64 64 LYS N N 64 123.471 123.471 122.517 0.954 18081 11461 1 18 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.421 -0.328 18081 11462 1 18 . 1 1 64 64 LYS C C 64 175.877 175.877 175.843 0.034 18081 11463 1 18 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.415 -1.034 18081 11464 1 18 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.143 -1.074 18081 11465 1 18 . 1 1 64 64 LYS H H 64 8.977 8.977 8.767 0.210 18081 11466 1 18 . 1 1 65 65 ILE N N 65 125.792 125.792 126.019 -0.227 18081 11467 1 18 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.381 0.422 18081 11468 1 18 . 1 1 65 65 ILE C C 65 175.724 175.724 175.304 0.420 18081 11469 1 18 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.428 -0.664 18081 11470 1 18 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.749 0.639 18081 11471 1 18 . 1 1 65 65 ILE H H 65 9.390 9.390 8.218 1.172 18081 11472 1 18 . 1 1 66 66 THR N N 66 119.455 119.455 117.754 1.701 18081 11473 1 18 . 1 1 66 66 THR HA H 66 4.583 4.583 4.628 -0.045 18081 11474 1 18 . 1 1 66 66 THR C C 66 170.978 170.978 172.298 -1.320 18081 11475 1 18 . 1 1 66 66 THR CA C 66 61.233 61.233 61.511 -0.278 18081 11476 1 18 . 1 1 66 66 THR CB C 66 70.456 70.456 69.636 0.820 18081 11477 1 18 . 1 1 66 66 THR H H 66 8.176 8.176 8.110 0.066 18081 11478 1 18 . 1 1 67 67 SER N N 67 115.523 115.523 121.155 -5.632 18081 11479 1 18 . 1 1 67 67 SER HA H 67 6.316 6.316 5.090 1.226 18081 11480 1 18 . 1 1 67 67 SER C C 67 174.516 174.516 172.701 1.815 18081 11481 1 18 . 1 1 67 67 SER CA C 67 51.222 51.222 55.738 -4.516 18081 11482 1 18 . 1 1 67 67 SER CB C 67 66.501 66.501 65.749 0.752 18081 11483 1 18 . 1 1 67 67 SER H H 67 7.190 7.190 8.524 -1.334 18081 11484 1 18 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.246 0.582 18081 11485 1 18 . 1 1 68 68 PRO C C 68 174.360 174.360 175.809 -1.449 18081 11486 1 18 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.678 -2.110 18081 11487 1 18 . 1 1 68 68 PRO CB C 68 32.489 32.489 31.975 0.514 18081 11488 1 18 . 1 1 69 69 ASP N N 69 120.505 120.505 116.791 3.714 18081 11489 1 18 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.795 -0.047 18081 11490 1 18 . 1 1 69 69 ASP C C 69 173.775 173.775 174.334 -0.559 18081 11491 1 18 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.079 1.370 18081 11492 1 18 . 1 1 69 69 ASP CB C 69 41.981 41.981 41.090 0.890 18081 11493 1 18 . 1 1 69 69 ASP H H 69 8.594 8.594 8.471 0.123 18081 11494 1 18 . 1 1 70 70 VAL N N 70 120.074 120.074 114.030 6.044 18081 11495 1 18 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.519 0.055 18081 11496 1 18 . 1 1 70 70 VAL C C 70 174.866 174.866 173.727 1.139 18081 11497 1 18 . 1 1 70 70 VAL CA C 70 59.231 59.231 59.681 -0.450 18081 11498 1 18 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.816 0.244 18081 11499 1 18 . 1 1 70 70 VAL H H 70 10.855 10.855 7.528 3.327 18081 11500 1 18 . 1 1 71 71 ILE N N 71 121.272 121.272 117.071 4.201 18081 11501 1 18 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.564 -0.126 18081 11502 1 18 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.835 1.599 18081 11503 1 18 . 1 1 71 71 ILE CB C 71 38.521 38.521 41.952 -3.431 18081 11504 1 18 . 1 1 71 71 ILE H H 71 7.670 7.670 8.157 -0.487 18081 11505 1 18 . 1 1 73 73 GLY C C 73 172.580 172.580 172.832 -0.252 18081 11506 1 18 . 1 1 73 73 GLY CA C 73 44.414 44.414 43.935 0.479 18081 11507 1 18 . 1 1 74 74 PHE N N 74 123.714 123.714 119.968 3.746 18081 11508 1 18 . 1 1 74 74 PHE HA H 74 4.285 4.285 5.010 -0.725 18081 11509 1 18 . 1 1 74 74 PHE C C 74 171.502 171.502 174.476 -2.974 18081 11510 1 18 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.704 3.993 18081 11511 1 18 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.405 0.390 18081 11512 1 18 . 1 1 74 74 PHE H H 74 8.712 8.712 7.385 1.327 18081 11513 1 18 . 1 1 75 75 HIS N N 75 124.835 124.835 120.256 4.579 18081 11514 1 18 . 1 1 75 75 HIS HA H 75 5.458 5.458 5.066 0.392 18081 11515 1 18 . 1 1 75 75 HIS C C 75 172.817 172.817 173.774 -0.957 18081 11516 1 18 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.625 -2.202 18081 11517 1 18 . 1 1 75 75 HIS CB C 75 29.523 29.523 32.486 -2.963 18081 11518 1 18 . 1 1 75 75 HIS H H 75 7.786 7.786 7.991 -0.205 18081 11519 1 18 . 1 1 76 76 VAL N N 76 124.569 124.569 123.118 1.451 18081 11520 1 18 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.068 0.225 18081 11521 1 18 . 1 1 76 76 VAL C C 76 175.843 175.843 175.519 0.324 18081 11522 1 18 . 1 1 76 76 VAL CA C 76 60.699 60.699 59.697 1.002 18081 11523 1 18 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.112 -4.744 18081 11524 1 18 . 1 1 76 76 VAL H H 76 6.558 6.558 8.618 -2.060 18081 11525 1 18 . 1 1 77 77 GLU N N 77 132.091 132.091 124.341 7.750 18081 11526 1 18 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.142 -0.253 18081 11527 1 18 . 1 1 77 77 GLU C C 77 176.941 176.941 177.842 -0.901 18081 11528 1 18 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.987 1.710 18081 11529 1 18 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.779 0.436 18081 11530 1 18 . 1 1 77 77 GLU H H 77 8.977 8.977 8.428 0.549 18081 11531 1 18 . 1 1 78 78 GLY N N 78 111.143 111.143 108.119 3.024 18081 11532 1 18 . 1 1 78 78 GLY C C 78 174.152 174.152 174.235 -0.083 18081 11533 1 18 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.965 -0.705 18081 11534 1 18 . 1 1 78 78 GLY H H 78 8.052 8.052 8.764 -0.712 18081 11535 1 18 . 1 1 79 79 THR N N 79 109.705 109.705 117.801 -8.096 18081 11536 1 18 . 1 1 79 79 THR HA H 79 4.949 4.949 4.541 0.408 18081 11537 1 18 . 1 1 79 79 THR C C 79 173.397 173.397 173.883 -0.486 18081 11538 1 18 . 1 1 79 79 THR CA C 79 60.076 60.076 60.955 -0.879 18081 11539 1 18 . 1 1 79 79 THR CB C 79 72.829 72.829 71.576 1.253 18081 11540 1 18 . 1 1 79 79 THR H H 79 7.810 7.810 7.931 -0.121 18081 11541 1 18 . 1 1 80 80 ASN N N 80 116.427 116.427 123.708 -7.281 18081 11542 1 18 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.726 0.194 18081 11543 1 18 . 1 1 80 80 ASN C C 80 175.665 175.665 174.225 1.440 18081 11544 1 18 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.632 -1.609 18081 11545 1 18 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.949 -0.417 18081 11546 1 18 . 1 1 80 80 ASN H H 80 7.856 7.856 8.849 -0.993 18081 11547 1 18 . 1 1 81 81 ILE N N 81 121.552 121.552 124.035 -2.483 18081 11548 1 18 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.186 -0.389 18081 11549 1 18 . 1 1 81 81 ILE C C 81 176.564 176.564 173.586 2.978 18081 11550 1 18 . 1 1 81 81 ILE CA C 81 62.523 62.523 60.685 1.838 18081 11551 1 18 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.048 0.053 18081 11552 1 18 . 1 1 81 81 ILE H H 81 8.493 8.493 8.056 0.437 18081 11553 1 18 . 1 1 82 82 ASN N N 82 131.507 131.507 127.704 3.803 18081 11554 1 18 . 1 1 82 82 ASN HA H 82 5.151 5.151 5.260 -0.109 18081 11555 1 18 . 1 1 82 82 ASN C C 82 173.025 173.025 174.331 -1.306 18081 11556 1 18 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.328 2.938 18081 11557 1 18 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.570 0.236 18081 11558 1 18 . 1 1 82 82 ASN H H 82 8.911 8.911 8.228 0.683 18081 11559 1 18 . 1 1 83 83 VAL N N 83 120.866 120.866 119.534 1.332 18081 11560 1 18 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.372 0.293 18081 11561 1 18 . 1 1 83 83 VAL C C 83 173.954 173.954 174.370 -0.416 18081 11562 1 18 . 1 1 83 83 VAL CA C 83 60.120 60.120 60.739 -0.619 18081 11563 1 18 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.505 3.148 18081 11564 1 18 . 1 1 83 83 VAL H H 83 8.356 8.356 7.927 0.429 18081 11565 1 18 . 1 1 84 84 GLU N N 84 125.997 125.997 126.600 -0.603 18081 11566 1 18 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.487 0.100 18081 11567 1 18 . 1 1 84 84 GLU C C 84 174.600 174.600 174.481 0.119 18081 11568 1 18 . 1 1 84 84 GLU CA C 84 56.027 56.027 55.360 0.667 18081 11569 1 18 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.124 -0.315 18081 11570 1 18 . 1 1 84 84 GLU H H 84 8.534 8.534 8.509 0.025 18081 11571 1 18 . 1 1 85 85 VAL N N 85 125.888 125.888 123.202 2.686 18081 11572 1 18 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.312 -0.263 18081 11573 1 18 . 1 1 85 85 VAL C C 85 173.256 173.256 174.044 -0.788 18081 11574 1 18 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.623 0.894 18081 11575 1 18 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.196 -1.410 18081 11576 1 18 . 1 1 85 85 VAL H H 85 8.782 8.782 8.312 0.470 18081 11577 1 18 . 1 1 86 86 LEU N N 86 128.745 128.745 125.290 3.455 18081 11578 1 18 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.834 -0.033 18081 11579 1 18 . 1 1 86 86 LEU CA C 86 51.934 51.934 52.032 -0.098 18081 11580 1 18 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.192 1.218 18081 11581 1 18 . 1 1 86 86 LEU H H 86 9.131 9.131 8.548 0.583 18081 11582 1 18 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.230 0.434 18081 11583 1 18 . 1 1 87 87 PRO C C 87 178.454 178.454 177.532 0.922 18081 11584 1 18 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.280 -0.668 18081 11585 1 18 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.003 -0.798 18081 11586 1 18 . 1 1 88 88 GLY N N 88 112.804 112.804 110.662 2.142 18081 11587 1 18 . 1 1 88 88 GLY C C 88 173.451 173.451 173.418 0.033 18081 11588 1 18 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.012 0.070 18081 11589 1 18 . 1 1 88 88 GLY H H 88 9.103 9.103 8.560 0.543 18081 11590 1 18 . 1 1 89 89 GLU N N 89 118.355 118.355 117.935 0.420 18081 11591 1 18 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.670 0.430 18081 11592 1 18 . 1 1 89 89 GLU C C 89 176.719 176.719 173.962 2.757 18081 11593 1 18 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.632 -0.385 18081 11594 1 18 . 1 1 89 89 GLU CB C 89 32.863 32.863 34.274 -1.411 18081 11595 1 18 . 1 1 89 89 GLU H H 89 7.764 7.764 7.430 0.334 18081 11596 1 18 . 1 1 90 90 VAL N N 90 127.142 127.142 119.746 7.396 18081 11597 1 18 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.051 -0.551 18081 11598 1 18 . 1 1 90 90 VAL C C 90 176.838 176.838 175.416 1.422 18081 11599 1 18 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.122 0.734 18081 11600 1 18 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.459 -0.321 18081 11601 1 18 . 1 1 90 90 VAL H H 90 8.830 8.830 8.324 0.506 18081 11602 1 18 . 1 1 91 91 SER N N 91 127.859 127.859 123.445 4.414 18081 11603 1 18 . 1 1 91 91 SER HA H 91 4.924 4.924 4.749 0.175 18081 11604 1 18 . 1 1 91 91 SER C C 91 173.015 173.015 173.583 -0.568 18081 11605 1 18 . 1 1 91 91 SER CA C 91 58.118 58.118 57.036 1.082 18081 11606 1 18 . 1 1 91 91 SER CB C 91 63.931 63.931 64.702 -0.771 18081 11607 1 18 . 1 1 91 91 SER H H 91 9.710 9.710 8.307 1.403 18081 11608 1 18 . 1 1 92 92 THR N N 92 122.627 122.627 122.117 0.510 18081 11609 1 18 . 1 1 92 92 THR HA H 92 5.682 5.682 5.411 0.271 18081 11610 1 18 . 1 1 92 92 THR C C 92 174.480 174.480 174.418 0.062 18081 11611 1 18 . 1 1 92 92 THR CA C 92 61.856 61.856 61.419 0.437 18081 11612 1 18 . 1 1 92 92 THR CB C 92 70.160 70.160 70.191 -0.031 18081 11613 1 18 . 1 1 92 92 THR H H 92 8.864 8.864 8.571 0.293 18081 11614 1 18 . 1 1 93 93 VAL N N 93 126.698 126.698 125.354 1.344 18081 11615 1 18 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.414 0.093 18081 11616 1 18 . 1 1 93 93 VAL C C 93 173.002 173.002 174.967 -1.965 18081 11617 1 18 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.659 -1.005 18081 11618 1 18 . 1 1 93 93 VAL CB C 93 35.653 35.653 34.574 1.079 18081 11619 1 18 . 1 1 93 93 VAL H H 93 8.806 8.806 8.437 0.369 18081 11620 1 18 . 1 1 94 94 ARG N N 94 126.396 126.396 127.399 -1.003 18081 11621 1 18 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.299 0.591 18081 11622 1 18 . 1 1 94 94 ARG C C 94 175.885 175.885 175.442 0.443 18081 11623 1 18 . 1 1 94 94 ARG CA C 94 54.381 54.381 55.041 -0.660 18081 11624 1 18 . 1 1 94 94 ARG CB C 94 32.588 32.588 29.914 2.674 18081 11625 1 18 . 1 1 94 94 ARG H H 94 8.630 8.630 8.694 -0.064 18081 11626 1 18 . 1 1 95 95 TYR N N 95 126.390 126.390 125.514 0.876 18081 11627 1 18 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.653 -0.333 18081 11628 1 18 . 1 1 95 95 TYR C C 95 172.683 172.683 173.641 -0.958 18081 11629 1 18 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.535 2.051 18081 11630 1 18 . 1 1 95 95 TYR CB C 95 44.453 44.453 41.548 2.905 18081 11631 1 18 . 1 1 95 95 TYR H H 95 9.623 9.623 8.044 1.579 18081 11632 1 18 . 1 1 96 96 THR N N 96 121.396 121.396 120.420 0.976 18081 11633 1 18 . 1 1 96 96 THR HA H 96 4.684 4.684 4.534 0.150 18081 11634 1 18 . 1 1 96 96 THR C C 96 172.729 172.729 172.945 -0.216 18081 11635 1 18 . 1 1 96 96 THR CA C 96 61.322 61.322 60.469 0.853 18081 11636 1 18 . 1 1 96 96 THR CB C 96 70.160 70.160 70.504 -0.344 18081 11637 1 18 . 1 1 96 96 THR H H 96 6.742 6.742 7.554 -0.812 18081 11638 1 18 . 1 1 97 97 PHE N N 97 126.539 126.539 124.435 2.104 18081 11639 1 18 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.834 -0.381 18081 11640 1 18 . 1 1 97 97 PHE C C 97 176.075 176.075 176.223 -0.148 18081 11641 1 18 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.385 0.822 18081 11642 1 18 . 1 1 97 97 PHE CB C 97 39.908 39.908 40.427 -0.519 18081 11643 1 18 . 1 1 97 97 PHE H H 97 8.933 8.933 8.603 0.330 18081 11644 1 18 . 1 1 98 98 LYS N N 98 123.417 123.417 119.352 4.065 18081 11645 1 18 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.431 -0.038 18081 11646 1 18 . 1 1 98 98 LYS C C 98 175.939 175.939 175.786 0.153 18081 11647 1 18 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.672 0.111 18081 11648 1 18 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.882 -0.898 18081 11649 1 18 . 1 1 98 98 LYS H H 98 8.604 8.604 8.836 -0.232 18081 11650 1 18 . 1 1 99 99 ARG N N 99 118.424 118.424 119.798 -1.374 18081 11651 1 18 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.728 0.292 18081 11652 1 18 . 1 1 99 99 ARG C C 99 174.332 174.332 173.793 0.539 18081 11653 1 18 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.143 -0.542 18081 11654 1 18 . 1 1 99 99 ARG CB C 99 31.600 31.600 29.203 2.397 18081 11655 1 18 . 1 1 99 99 ARG H H 99 7.801 7.801 7.775 0.026 18081 11656 1 18 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.343 0.040 18081 11657 1 18 . 1 1 100 100 PRO C C 100 175.190 175.190 176.637 -1.447 18081 11658 1 18 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.465 0.103 18081 11659 1 18 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.221 0.367 18081 11660 1 18 . 1 1 101 101 GLY N N 101 108.626 108.626 106.054 2.572 18081 11661 1 18 . 1 1 101 101 GLY C C 101 171.375 171.375 172.022 -0.647 18081 11662 1 18 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.819 -0.716 18081 11663 1 18 . 1 1 101 101 GLY H H 101 8.685 8.685 7.697 0.988 18081 11664 1 18 . 1 1 102 102 GLU N N 102 119.327 119.327 123.233 -3.906 18081 11665 1 18 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.862 0.289 18081 11666 1 18 . 1 1 102 102 GLU C C 102 176.066 176.066 175.785 0.281 18081 11667 1 18 . 1 1 102 102 GLU CA C 102 55.404 55.404 54.726 0.678 18081 11668 1 18 . 1 1 102 102 GLU CB C 102 31.204 31.204 30.738 0.466 18081 11669 1 18 . 1 1 102 102 GLU H H 102 8.144 8.144 8.421 -0.277 18081 11670 1 18 . 1 1 103 103 TYR N N 103 125.807 125.807 121.354 4.453 18081 11671 1 18 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.894 -0.248 18081 11672 1 18 . 1 1 103 103 TYR C C 103 174.711 174.711 173.464 1.247 18081 11673 1 18 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.209 0.129 18081 11674 1 18 . 1 1 103 103 TYR CB C 103 40.189 40.189 41.436 -1.247 18081 11675 1 18 . 1 1 103 103 TYR H H 103 9.687 9.687 8.064 1.623 18081 11676 1 18 . 1 1 104 104 ARG N N 104 124.463 124.463 120.776 3.687 18081 11677 1 18 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.709 -0.082 18081 11678 1 18 . 1 1 104 104 ARG C C 104 174.570 174.570 174.308 0.262 18081 11679 1 18 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.591 1.174 18081 11680 1 18 . 1 1 104 104 ARG CB C 104 31.698 31.698 31.023 0.675 18081 11681 1 18 . 1 1 104 104 ARG H H 104 8.902 8.902 8.435 0.467 18081 11682 1 18 . 1 1 105 105 ILE N N 105 124.589 124.589 122.263 2.326 18081 11683 1 18 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.449 -0.080 18081 11684 1 18 . 1 1 105 105 ILE C C 105 175.576 175.576 173.405 2.171 18081 11685 1 18 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.030 -1.095 18081 11686 1 18 . 1 1 105 105 ILE CB C 105 39.811 39.811 41.246 -1.435 18081 11687 1 18 . 1 1 105 105 ILE H H 105 8.289 8.289 8.128 0.161 18081 11688 1 18 . 1 1 106 106 ILE N N 106 121.777 121.777 125.236 -3.459 18081 11689 1 18 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.777 0.261 18081 11690 1 18 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.578 -1.355 18081 11691 1 18 . 1 1 106 106 ILE CB C 106 42.475 42.475 38.466 4.009 18081 11692 1 18 . 1 1 106 106 ILE H H 106 8.765 8.765 8.894 -0.129 18081 11693 1 18 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.415 -0.293 18081 11694 1 18 . 1 1 109 109 GLN C C 109 175.724 175.724 174.275 1.449 18081 11695 1 18 . 1 1 109 109 GLN CA C 109 56.472 56.472 55.774 0.698 18081 11696 1 18 . 1 1 109 109 GLN CB C 109 29.128 29.128 32.575 -3.447 18081 11697 1 18 . 1 1 110 110 TYR N N 110 120.856 120.856 122.085 -1.229 18081 11698 1 18 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.838 -0.349 18081 11699 1 18 . 1 1 110 110 TYR CA C 110 57.985 57.985 57.485 0.500 18081 11700 1 18 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.095 -0.168 18081 11701 1 18 . 1 1 110 110 TYR H H 110 8.191 8.191 8.771 -0.580 18081 11702 1 18 . 1 1 111 111 CYS N N 111 120.561 120.561 120.617 -0.056 18081 11703 1 18 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.362 0.021 18081 11704 1 18 . 1 1 111 111 CYS C C 111 174.692 174.692 173.975 0.717 18081 11705 1 18 . 1 1 111 111 CYS CA C 111 58.617 58.617 58.745 -0.128 18081 11706 1 18 . 1 1 111 111 CYS CB C 111 27.976 27.976 29.108 -1.132 18081 11707 1 18 . 1 1 111 111 CYS H H 111 8.166 8.166 8.377 -0.211 18081 11708 1 18 . 1 1 112 112 GLY N N 112 111.467 111.467 109.828 1.639 18081 11709 1 18 . 1 1 112 112 GLY C C 112 173.900 173.900 173.441 0.459 18081 11710 1 18 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.644 0.501 18081 11711 1 18 . 1 1 112 112 GLY H H 112 8.239 8.239 7.999 0.240 18081 11712 1 18 . 1 1 113 113 LEU N N 113 122.150 122.150 125.119 -2.969 18081 11713 1 18 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.216 0.108 18081 11714 1 18 . 1 1 113 113 LEU C C 113 178.068 178.068 177.127 0.941 18081 11715 1 18 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.133 -0.415 18081 11716 1 18 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.558 -0.479 18081 11717 1 18 . 1 1 113 113 LEU H H 113 8.179 8.179 8.222 -0.043 18081 11718 1 18 . 1 1 114 114 GLY N N 114 109.278 109.278 111.752 -2.474 18081 11719 1 18 . 1 1 114 114 GLY C C 114 174.142 174.142 173.366 0.776 18081 11720 1 18 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.421 0.928 18081 11721 1 18 . 1 1 114 114 GLY H H 114 8.393 8.393 8.320 0.073 18081 11722 1 18 . 1 1 117 117 ASN N N 117 120.387 120.387 118.238 2.149 18081 11723 1 18 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.758 -0.080 18081 11724 1 18 . 1 1 117 117 ASN C C 117 174.422 174.422 175.359 -0.937 18081 11725 1 18 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.510 -0.331 18081 11726 1 18 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.293 0.722 18081 11727 1 18 . 1 1 117 117 ASN H H 117 8.522 8.522 7.805 0.717 18081 11728 1 18 . 1 1 118 118 MET N N 118 120.526 120.526 122.363 -1.837 18081 11729 1 18 . 1 1 118 118 MET C C 118 173.321 173.321 174.695 -1.374 18081 11730 1 18 . 1 1 118 118 MET CA C 118 55.360 55.360 55.752 -0.391 18081 11731 1 18 . 1 1 118 118 MET CB C 118 34.467 34.467 33.187 1.280 18081 11732 1 18 . 1 1 118 118 MET H H 118 7.981 7.981 7.688 0.293 18081 11733 1 18 . 1 1 119 119 PHE N N 119 119.704 119.704 117.954 1.750 18081 11734 1 18 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.740 1.082 18081 11735 1 18 . 1 1 119 119 PHE C C 119 174.894 174.894 176.857 -1.963 18081 11736 1 18 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.551 -1.435 18081 11737 1 18 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.095 3.282 18081 11738 1 18 . 1 1 119 119 PHE H H 119 8.068 8.068 8.150 -0.082 18081 11739 1 18 . 1 1 120 120 GLY N N 120 109.869 109.869 110.823 -0.954 18081 11740 1 18 . 1 1 120 120 GLY C C 120 172.817 172.817 172.910 -0.093 18081 11741 1 18 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.718 -0.437 18081 11742 1 18 . 1 1 120 120 GLY H H 120 8.984 8.984 8.793 0.191 18081 11743 1 18 . 1 1 121 121 THR N N 121 115.820 115.820 112.514 3.306 18081 11744 1 18 . 1 1 121 121 THR HA H 121 5.068 5.068 4.632 0.436 18081 11745 1 18 . 1 1 121 121 THR C C 121 173.062 173.062 172.876 0.186 18081 11746 1 18 . 1 1 121 121 THR CA C 121 62.745 62.745 61.315 1.430 18081 11747 1 18 . 1 1 121 121 THR CB C 121 72.533 72.533 70.604 1.929 18081 11748 1 18 . 1 1 121 121 THR H H 121 8.123 8.123 7.994 0.129 18081 11749 1 18 . 1 1 122 122 ILE N N 122 127.420 127.420 126.037 1.383 18081 11750 1 18 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.295 0.540 18081 11751 1 18 . 1 1 122 122 ILE C C 122 174.260 174.260 173.559 0.701 18081 11752 1 18 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.938 -0.862 18081 11753 1 18 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.862 -2.463 18081 11754 1 18 . 1 1 122 122 ILE H H 122 9.152 9.152 8.762 0.390 18081 11755 1 18 . 1 1 123 123 VAL N N 123 130.032 130.032 125.901 4.131 18081 11756 1 18 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.028 0.351 18081 11757 1 18 . 1 1 123 123 VAL C C 123 174.012 174.012 174.083 -0.071 18081 11758 1 18 . 1 1 123 123 VAL CA C 123 61.811 61.811 61.109 0.702 18081 11759 1 18 . 1 1 123 123 VAL CB C 123 33.280 33.280 34.630 -1.350 18081 11760 1 18 . 1 1 123 123 VAL H H 123 9.601 9.601 8.383 1.218 18081 11761 1 18 . 1 1 124 124 VAL N N 124 128.765 128.765 129.018 -0.253 18081 11762 1 18 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.443 0.256 18081 11763 1 18 . 1 1 124 124 VAL C C 124 177.239 177.239 175.568 1.671 18081 11764 1 18 . 1 1 124 124 VAL CA C 124 60.565 60.565 59.381 1.184 18081 11765 1 18 . 1 1 124 124 VAL CB C 124 31.303 31.303 31.490 -0.187 18081 11766 1 18 . 1 1 124 124 VAL H H 124 9.056 9.056 7.782 1.274 18081 11767 1 18 . 1 1 125 125 LYS N N 125 129.953 129.953 128.422 1.531 18081 11768 1 18 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.465 -0.124 18081 11769 1 18 . 1 1 125 125 LYS C C 125 175.317 175.317 175.934 -0.617 18081 11770 1 18 . 1 1 125 125 LYS CA C 125 55.449 55.449 54.485 0.964 18081 11771 1 18 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.466 1.111 18081 11772 1 18 . 1 1 125 125 LYS H H 125 8.854 8.854 8.601 0.253 18081 11773 1 19 . 1 1 2 2 VAL N N 2 126.137 126.137 119.195 6.942 18081 11774 1 19 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.389 -0.363 18081 11775 1 19 . 1 1 2 2 VAL C C 2 176.484 176.484 175.565 0.919 18081 11776 1 19 . 1 1 2 2 VAL CA C 2 62.568 62.568 61.921 0.647 18081 11777 1 19 . 1 1 2 2 VAL CB C 2 32.391 32.391 33.014 -0.623 18081 11778 1 19 . 1 1 2 2 VAL H H 2 8.035 8.035 7.707 0.328 18081 11779 1 19 . 1 1 3 3 ILE N N 3 124.059 124.059 121.073 2.986 18081 11780 1 19 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.623 -0.128 18081 11781 1 19 . 1 1 3 3 ILE C C 3 174.606 174.606 174.829 -0.223 18081 11782 1 19 . 1 1 3 3 ILE CA C 3 58.385 58.385 59.731 -1.346 18081 11783 1 19 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.341 0.180 18081 11784 1 19 . 1 1 3 3 ILE H H 3 7.856 7.856 8.219 -0.363 18081 11785 1 19 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.524 -0.151 18081 11786 1 19 . 1 1 4 4 PRO C C 4 176.585 176.585 175.783 0.802 18081 11787 1 19 . 1 1 4 4 PRO CA C 4 63.190 63.190 63.110 0.080 18081 11788 1 19 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.899 -0.935 18081 11789 1 19 . 1 1 5 5 ALA N N 5 125.371 125.371 123.308 2.063 18081 11790 1 19 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.437 -0.150 18081 11791 1 19 . 1 1 5 5 ALA C C 5 178.454 178.454 178.651 -0.197 18081 11792 1 19 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.288 0.447 18081 11793 1 19 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.133 -0.090 18081 11794 1 19 . 1 1 5 5 ALA H H 5 8.458 8.458 8.491 -0.033 18081 11795 1 19 . 1 1 6 6 GLY N N 6 108.626 108.626 107.808 0.818 18081 11796 1 19 . 1 1 6 6 GLY C C 6 173.996 173.996 174.600 -0.604 18081 11797 1 19 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.123 0.048 18081 11798 1 19 . 1 1 6 6 GLY H H 6 8.378 8.378 8.272 0.106 18081 11799 1 19 . 1 1 7 7 LYS N N 7 121.320 121.320 119.335 1.985 18081 11800 1 19 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.575 -0.246 18081 11801 1 19 . 1 1 7 7 LYS C C 7 176.362 176.362 177.123 -0.761 18081 11802 1 19 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.273 0.843 18081 11803 1 19 . 1 1 7 7 LYS CB C 7 32.984 32.984 34.635 -1.651 18081 11804 1 19 . 1 1 7 7 LYS H H 7 7.976 7.976 7.615 0.361 18081 11805 1 19 . 1 1 8 8 LEU N N 8 124.548 124.548 119.314 5.234 18081 11806 1 19 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.426 -0.035 18081 11807 1 19 . 1 1 8 8 LEU C C 8 176.772 176.772 176.299 0.473 18081 11808 1 19 . 1 1 8 8 LEU CA C 8 55.182 55.182 54.858 0.324 18081 11809 1 19 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.453 0.022 18081 11810 1 19 . 1 1 8 8 LEU H H 8 8.283 8.283 8.117 0.166 18081 11811 1 19 . 1 1 9 9 GLU N N 9 124.888 124.888 119.886 5.002 18081 11812 1 19 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.293 0.097 18081 11813 1 19 . 1 1 9 9 GLU C C 9 174.919 174.919 175.958 -1.039 18081 11814 1 19 . 1 1 9 9 GLU CA C 9 56.472 56.472 56.856 -0.384 18081 11815 1 19 . 1 1 9 9 GLU CB C 9 30.611 30.611 30.477 0.134 18081 11816 1 19 . 1 1 9 9 GLU H H 9 8.679 8.679 8.671 0.008 18081 11817 1 19 . 1 1 10 10 ARG N N 10 123.557 123.557 124.064 -0.507 18081 11818 1 19 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.435 0.537 18081 11819 1 19 . 1 1 10 10 ARG C C 10 175.727 175.727 175.830 -0.103 18081 11820 1 19 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.776 -0.691 18081 11821 1 19 . 1 1 10 10 ARG CB C 10 32.545 32.545 32.103 0.442 18081 11822 1 19 . 1 1 10 10 ARG H H 10 8.248 8.248 8.527 -0.279 18081 11823 1 19 . 1 1 11 11 VAL N N 11 118.077 118.077 117.738 0.339 18081 11824 1 19 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.364 0.016 18081 11825 1 19 . 1 1 11 11 VAL C C 11 173.297 173.297 173.624 -0.327 18081 11826 1 19 . 1 1 11 11 VAL CA C 11 59.586 59.586 60.863 -1.277 18081 11827 1 19 . 1 1 11 11 VAL CB C 11 34.763 34.763 36.673 -1.910 18081 11828 1 19 . 1 1 11 11 VAL H H 11 8.039 8.039 8.380 -0.341 18081 11829 1 19 . 1 1 12 12 ASP N N 12 123.786 123.786 116.615 7.171 18081 11830 1 19 . 1 1 12 12 ASP HA H 12 4.951 4.951 4.880 0.071 18081 11831 1 19 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.663 -1.064 18081 11832 1 19 . 1 1 12 12 ASP CB C 12 41.388 41.388 41.563 -0.175 18081 11833 1 19 . 1 1 12 12 ASP H H 12 8.313 8.313 8.070 0.243 18081 11834 1 19 . 1 1 13 13 PRO C C 13 177.705 177.705 177.638 0.067 18081 11835 1 19 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.198 0.541 18081 11836 1 19 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.932 -0.310 18081 11837 1 19 . 1 1 14 14 THR N N 14 109.188 109.188 115.125 -5.937 18081 11838 1 19 . 1 1 14 14 THR HA H 14 4.252 4.252 4.068 0.184 18081 11839 1 19 . 1 1 14 14 THR C C 14 176.733 176.733 175.347 1.386 18081 11840 1 19 . 1 1 14 14 THR CA C 14 63.996 63.996 65.216 -1.220 18081 11841 1 19 . 1 1 14 14 THR CB C 14 69.270 69.270 68.993 0.277 18081 11842 1 19 . 1 1 14 14 THR H H 14 8.413 8.413 7.906 0.507 18081 11843 1 19 . 1 1 15 15 THR N N 15 108.904 108.904 108.379 0.525 18081 11844 1 19 . 1 1 15 15 THR HA H 15 4.733 4.733 4.519 0.214 18081 11845 1 19 . 1 1 15 15 THR C C 15 177.174 177.174 173.919 3.255 18081 11846 1 19 . 1 1 15 15 THR CA C 15 61.589 61.589 61.269 0.320 18081 11847 1 19 . 1 1 15 15 THR CB C 15 70.654 70.654 70.598 0.056 18081 11848 1 19 . 1 1 15 15 THR H H 15 7.413 7.413 7.904 -0.491 18081 11849 1 19 . 1 1 16 16 VAL N N 16 122.387 122.387 123.524 -1.137 18081 11850 1 19 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.994 0.204 18081 11851 1 19 . 1 1 16 16 VAL C C 16 175.683 175.683 175.245 0.438 18081 11852 1 19 . 1 1 16 16 VAL CA C 16 64.452 64.452 63.788 0.664 18081 11853 1 19 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.167 -0.666 18081 11854 1 19 . 1 1 16 16 VAL H H 16 7.143 7.143 7.432 -0.289 18081 11855 1 19 . 1 1 17 17 ARG N N 17 115.917 115.917 116.226 -0.309 18081 11856 1 19 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.441 -0.170 18081 11857 1 19 . 1 1 17 17 ARG C C 17 175.861 175.861 178.349 -2.488 18081 11858 1 19 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.515 -0.465 18081 11859 1 19 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.866 0.160 18081 11860 1 19 . 1 1 17 17 ARG H H 17 8.227 8.227 8.336 -0.109 18081 11861 1 19 . 1 1 18 18 GLN N N 18 117.044 117.044 117.931 -0.887 18081 11862 1 19 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.396 0.003 18081 11863 1 19 . 1 1 18 18 GLN C C 18 175.506 175.506 175.408 0.098 18081 11864 1 19 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.795 0.343 18081 11865 1 19 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.676 1.133 18081 11866 1 19 . 1 1 18 18 GLN H H 18 7.765 7.765 8.000 -0.235 18081 11867 1 19 . 1 1 19 19 GLU N N 19 118.659 118.659 118.956 -0.297 18081 11868 1 19 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.422 0.137 18081 11869 1 19 . 1 1 19 19 GLU C C 19 175.081 175.081 175.115 -0.034 18081 11870 1 19 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.706 -0.524 18081 11871 1 19 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.387 1.004 18081 11872 1 19 . 1 1 19 19 GLU H H 19 8.070 8.070 8.005 0.065 18081 11873 1 19 . 1 1 20 20 GLY N N 20 113.694 113.694 112.872 0.822 18081 11874 1 19 . 1 1 20 20 GLY C C 20 174.150 174.150 172.307 1.843 18081 11875 1 19 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.939 -0.391 18081 11876 1 19 . 1 1 20 20 GLY H H 20 8.933 8.933 8.192 0.741 18081 11877 1 19 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.074 -0.401 18081 11878 1 19 . 1 1 21 21 PRO C C 21 176.703 176.703 176.574 0.129 18081 11879 1 19 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.635 0.246 18081 11880 1 19 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.070 -1.033 18081 11881 1 19 . 1 1 22 22 TRP N N 22 117.898 117.898 118.176 -0.278 18081 11882 1 19 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.661 -0.346 18081 11883 1 19 . 1 1 22 22 TRP C C 22 174.965 174.965 177.103 -2.138 18081 11884 1 19 . 1 1 22 22 TRP CA C 22 60.521 60.521 58.377 2.144 18081 11885 1 19 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.495 0.776 18081 11886 1 19 . 1 1 22 22 TRP H H 22 8.759 8.759 8.029 0.730 18081 11887 1 19 . 1 1 23 23 ALA N N 23 120.887 120.887 122.270 -1.383 18081 11888 1 19 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.389 -0.465 18081 11889 1 19 . 1 1 23 23 ALA C C 23 177.520 177.520 178.066 -0.546 18081 11890 1 19 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.312 1.469 18081 11891 1 19 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.263 -0.715 18081 11892 1 19 . 1 1 23 23 ALA H H 23 7.232 7.232 7.597 -0.365 18081 11893 1 19 . 1 1 24 24 ASP N N 24 115.176 115.176 117.283 -2.107 18081 11894 1 19 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.000 0.186 18081 11895 1 19 . 1 1 24 24 ASP C C 24 176.860 176.860 176.177 0.683 18081 11896 1 19 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.563 -1.943 18081 11897 1 19 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.204 -0.717 18081 11898 1 19 . 1 1 24 24 ASP H H 24 7.718 7.718 7.527 0.192 18081 11899 1 19 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.375 -0.076 18081 11900 1 19 . 1 1 25 25 PRO C C 25 177.445 177.445 177.544 -0.099 18081 11901 1 19 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.934 -0.453 18081 11902 1 19 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.143 -0.247 18081 11903 1 19 . 1 1 26 26 ALA N N 26 120.150 120.150 120.453 -0.303 18081 11904 1 19 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.258 0.047 18081 11905 1 19 . 1 1 26 26 ALA C C 26 179.061 179.061 178.330 0.731 18081 11906 1 19 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.893 -0.046 18081 11907 1 19 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.135 0.117 18081 11908 1 19 . 1 1 26 26 ALA H H 26 8.158 8.158 8.018 0.140 18081 11909 1 19 . 1 1 27 27 GLN N N 27 117.617 117.617 116.789 0.828 18081 11910 1 19 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.286 0.409 18081 11911 1 19 . 1 1 27 27 GLN C C 27 175.309 175.309 176.201 -0.892 18081 11912 1 19 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.608 -0.351 18081 11913 1 19 . 1 1 27 27 GLN CB C 27 28.732 28.732 27.931 0.801 18081 11914 1 19 . 1 1 27 27 GLN H H 27 7.732 7.732 7.459 0.273 18081 11915 1 19 . 1 1 28 28 ALA N N 28 122.069 122.069 123.453 -1.384 18081 11916 1 19 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.198 0.183 18081 11917 1 19 . 1 1 28 28 ALA C C 28 176.358 176.358 177.508 -1.150 18081 11918 1 19 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.439 1.143 18081 11919 1 19 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.297 1.624 18081 11920 1 19 . 1 1 28 28 ALA H H 28 6.996 6.996 7.399 -0.403 18081 11921 1 19 . 1 1 29 29 VAL N N 29 114.478 114.478 118.201 -3.723 18081 11922 1 19 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.360 0.347 18081 11923 1 19 . 1 1 29 29 VAL C C 29 176.252 176.252 175.689 0.563 18081 11924 1 19 . 1 1 29 29 VAL CA C 29 61.989 61.989 62.780 -0.791 18081 11925 1 19 . 1 1 29 29 VAL CB C 29 31.600 31.600 31.412 0.188 18081 11926 1 19 . 1 1 29 29 VAL H H 29 7.868 7.868 8.065 -0.197 18081 11927 1 19 . 1 1 30 30 VAL N N 30 129.718 129.718 127.309 2.409 18081 11928 1 19 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.421 -0.034 18081 11929 1 19 . 1 1 30 30 VAL C C 30 175.107 175.107 175.392 -0.285 18081 11930 1 19 . 1 1 30 30 VAL CA C 30 60.743 60.743 59.976 0.767 18081 11931 1 19 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.281 -0.023 18081 11932 1 19 . 1 1 30 30 VAL H H 30 9.556 9.556 8.392 1.164 18081 11933 1 19 . 1 1 31 31 GLN N N 31 129.372 129.372 127.025 2.347 18081 11934 1 19 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.326 -0.185 18081 11935 1 19 . 1 1 31 31 GLN C C 31 176.413 176.413 175.788 0.625 18081 11936 1 19 . 1 1 31 31 GLN CA C 31 57.050 57.050 57.238 -0.188 18081 11937 1 19 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.381 -1.330 18081 11938 1 19 . 1 1 31 31 GLN H H 31 9.153 9.153 8.879 0.274 18081 11939 1 19 . 1 1 32 32 THR N N 32 119.775 119.775 119.540 0.235 18081 11940 1 19 . 1 1 32 32 THR HA H 32 4.392 4.392 4.496 -0.104 18081 11941 1 19 . 1 1 32 32 THR C C 32 174.102 174.102 174.419 -0.317 18081 11942 1 19 . 1 1 32 32 THR CA C 32 61.678 61.678 61.481 0.197 18081 11943 1 19 . 1 1 32 32 THR CB C 32 68.775 68.775 69.901 -1.126 18081 11944 1 19 . 1 1 32 32 THR H H 32 8.266 8.266 8.087 0.179 18081 11945 1 19 . 1 1 33 33 GLY N N 33 111.761 111.761 109.436 2.325 18081 11946 1 19 . 1 1 33 33 GLY C C 33 170.586 170.586 173.108 -2.522 18081 11947 1 19 . 1 1 33 33 GLY CA C 33 45.082 45.082 42.861 2.221 18081 11948 1 19 . 1 1 33 33 GLY H H 33 7.997 7.997 7.399 0.598 18081 11949 1 19 . 1 1 34 34 PRO C C 34 176.674 176.674 176.213 0.461 18081 11950 1 19 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.292 0.589 18081 11951 1 19 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.014 -0.653 18081 11952 1 19 . 1 1 35 35 ASN N N 35 117.681 117.681 115.293 2.388 18081 11953 1 19 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.787 0.067 18081 11954 1 19 . 1 1 35 35 ASN C C 35 173.262 173.262 173.042 0.220 18081 11955 1 19 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.810 -0.687 18081 11956 1 19 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.303 0.453 18081 11957 1 19 . 1 1 35 35 ASN H H 35 8.649 8.649 8.161 0.488 18081 11958 1 19 . 1 1 36 36 GLN N N 36 119.276 119.276 115.487 3.789 18081 11959 1 19 . 1 1 36 36 GLN HA H 36 5.567 5.567 5.108 0.459 18081 11960 1 19 . 1 1 36 36 GLN C C 36 173.292 173.292 173.088 0.204 18081 11961 1 19 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.544 0.059 18081 11962 1 19 . 1 1 36 36 GLN CB C 36 33.874 33.874 32.602 1.272 18081 11963 1 19 . 1 1 36 36 GLN H H 36 6.953 6.953 7.069 -0.116 18081 11964 1 19 . 1 1 37 37 TYR N N 37 125.339 125.339 117.353 7.986 18081 11965 1 19 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.047 0.017 18081 11966 1 19 . 1 1 37 37 TYR C C 37 174.321 174.321 175.207 -0.886 18081 11967 1 19 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.782 -0.310 18081 11968 1 19 . 1 1 37 37 TYR CB C 37 40.696 40.696 42.593 -1.897 18081 11969 1 19 . 1 1 37 37 TYR H H 37 8.898 8.898 8.886 0.012 18081 11970 1 19 . 1 1 38 38 THR N N 38 121.935 121.935 120.027 1.908 18081 11971 1 19 . 1 1 38 38 THR HA H 38 5.098 5.098 4.526 0.572 18081 11972 1 19 . 1 1 38 38 THR C C 38 172.253 172.253 173.366 -1.113 18081 11973 1 19 . 1 1 38 38 THR CA C 38 61.589 61.589 62.467 -0.878 18081 11974 1 19 . 1 1 38 38 THR CB C 38 69.764 69.764 69.474 0.290 18081 11975 1 19 . 1 1 38 38 THR H H 38 9.592 9.592 8.783 0.809 18081 11976 1 19 . 1 1 39 39 VAL N N 39 126.189 126.189 126.864 -0.675 18081 11977 1 19 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.237 0.864 18081 11978 1 19 . 1 1 39 39 VAL C C 39 174.612 174.612 174.555 0.057 18081 11979 1 19 . 1 1 39 39 VAL CA C 39 59.631 59.631 60.139 -0.508 18081 11980 1 19 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.725 1.346 18081 11981 1 19 . 1 1 39 39 VAL H H 39 8.710 8.710 8.511 0.199 18081 11982 1 19 . 1 1 40 40 TYR N N 40 130.243 130.243 125.529 4.714 18081 11983 1 19 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.824 -0.183 18081 11984 1 19 . 1 1 40 40 TYR C C 40 174.840 174.840 175.774 -0.934 18081 11985 1 19 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.762 1.890 18081 11986 1 19 . 1 1 40 40 TYR CB C 40 36.840 36.840 38.530 -1.690 18081 11987 1 19 . 1 1 40 40 TYR H H 40 9.139 9.139 8.321 0.818 18081 11988 1 19 . 1 1 41 41 VAL N N 41 124.415 124.415 120.750 3.665 18081 11989 1 19 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.715 0.625 18081 11990 1 19 . 1 1 41 41 VAL C C 41 175.680 175.680 174.416 1.264 18081 11991 1 19 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.011 -0.757 18081 11992 1 19 . 1 1 41 41 VAL CB C 41 34.862 34.862 33.545 1.317 18081 11993 1 19 . 1 1 41 41 VAL H H 41 8.686 8.686 8.840 -0.154 18081 11994 1 19 . 1 1 42 42 LEU N N 42 129.148 129.148 129.106 0.042 18081 11995 1 19 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.835 0.311 18081 11996 1 19 . 1 1 42 42 LEU C C 42 175.161 175.161 175.010 0.151 18081 11997 1 19 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.570 -0.791 18081 11998 1 19 . 1 1 42 42 LEU CB C 42 45.639 45.639 44.895 0.744 18081 11999 1 19 . 1 1 42 42 LEU H H 42 9.694 9.694 8.625 1.069 18081 12000 1 19 . 1 1 43 43 ALA N N 43 130.434 130.434 126.702 3.732 18081 12001 1 19 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.217 0.505 18081 12002 1 19 . 1 1 43 43 ALA C C 43 173.292 173.292 174.720 -1.428 18081 12003 1 19 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.573 -1.419 18081 12004 1 19 . 1 1 43 43 ALA CB C 43 20.130 20.130 22.020 -1.890 18081 12005 1 19 . 1 1 43 43 ALA H H 43 8.679 8.679 8.106 0.573 18081 12006 1 19 . 1 1 44 44 PHE N N 44 118.472 118.472 119.258 -0.786 18081 12007 1 19 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.921 0.288 18081 12008 1 19 . 1 1 44 44 PHE C C 44 172.698 172.698 173.471 -0.773 18081 12009 1 19 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.389 -2.264 18081 12010 1 19 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.297 1.376 18081 12011 1 19 . 1 1 44 44 PHE H H 44 7.756 7.756 7.484 0.272 18081 12012 1 19 . 1 1 45 45 ALA N N 45 122.901 122.901 122.677 0.224 18081 12013 1 19 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.503 -1.090 18081 12014 1 19 . 1 1 45 45 ALA C C 45 177.267 177.267 177.084 0.183 18081 12015 1 19 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.685 -6.402 18081 12016 1 19 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.903 -3.123 18081 12017 1 19 . 1 1 45 45 ALA H H 45 9.739 9.739 8.726 1.013 18081 12018 1 19 . 1 1 46 46 PHE N N 46 128.515 128.515 118.177 10.338 18081 12019 1 19 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.364 0.856 18081 12020 1 19 . 1 1 46 46 PHE C C 46 173.387 173.387 176.991 -3.604 18081 12021 1 19 . 1 1 46 46 PHE CA C 46 60.031 60.031 59.022 1.009 18081 12022 1 19 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.963 1.436 18081 12023 1 19 . 1 1 46 46 PHE H H 46 7.994 7.994 8.485 -0.491 18081 12024 1 19 . 1 1 47 47 GLY N N 47 113.741 113.741 105.672 8.069 18081 12025 1 19 . 1 1 47 47 GLY C C 47 167.774 167.774 173.383 -5.609 18081 12026 1 19 . 1 1 47 47 GLY CA C 47 45.235 45.235 45.670 -0.435 18081 12027 1 19 . 1 1 47 47 GLY H H 47 7.796 7.796 8.373 -0.577 18081 12028 1 19 . 1 1 48 48 TYR N N 48 119.637 119.637 121.077 -1.440 18081 12029 1 19 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.907 0.431 18081 12030 1 19 . 1 1 48 48 TYR C C 48 175.042 175.042 174.324 0.718 18081 12031 1 19 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.757 -1.463 18081 12032 1 19 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.848 1.114 18081 12033 1 19 . 1 1 48 48 TYR H H 48 8.370 8.370 8.494 -0.124 18081 12034 1 19 . 1 1 49 49 GLN N N 49 121.776 121.776 123.932 -2.156 18081 12035 1 19 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.645 0.172 18081 12036 1 19 . 1 1 49 49 GLN CA C 49 52.334 52.334 52.968 -0.634 18081 12037 1 19 . 1 1 49 49 GLN CB C 49 33.874 33.874 28.883 4.991 18081 12038 1 19 . 1 1 49 49 GLN H H 49 9.163 9.163 7.598 1.565 18081 12039 1 19 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.327 0.415 18081 12040 1 19 . 1 1 50 50 PRO C C 50 174.271 174.271 176.153 -1.882 18081 12041 1 19 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.565 0.226 18081 12042 1 19 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.458 2.207 18081 12043 1 19 . 1 1 51 51 ASN N N 51 113.755 113.755 116.371 -2.616 18081 12044 1 19 . 1 1 51 51 ASN HA H 51 5.080 5.080 4.948 0.132 18081 12045 1 19 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.511 -0.512 18081 12046 1 19 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.853 1.843 18081 12047 1 19 . 1 1 51 51 ASN H H 51 8.229 8.229 8.415 -0.186 18081 12048 1 19 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.447 0.824 18081 12049 1 19 . 1 1 52 52 PRO C C 52 176.525 176.525 175.877 0.648 18081 12050 1 19 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.798 0.793 18081 12051 1 19 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.085 4.822 18081 12052 1 19 . 1 1 53 53 ILE N N 53 120.452 120.452 123.835 -3.383 18081 12053 1 19 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.213 -0.147 18081 12054 1 19 . 1 1 53 53 ILE C C 53 174.236 174.236 174.829 -0.593 18081 12055 1 19 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.673 0.827 18081 12056 1 19 . 1 1 53 53 ILE CB C 53 39.905 39.905 40.045 -0.140 18081 12057 1 19 . 1 1 53 53 ILE H H 53 8.321 8.321 8.235 0.086 18081 12058 1 19 . 1 1 54 54 GLU N N 54 129.279 129.279 127.836 1.443 18081 12059 1 19 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.641 0.826 18081 12060 1 19 . 1 1 54 54 GLU C C 54 175.598 175.598 174.728 0.870 18081 12061 1 19 . 1 1 54 54 GLU CA C 54 55.004 55.004 54.847 0.157 18081 12062 1 19 . 1 1 54 54 GLU CB C 54 30.907 30.907 33.173 -2.266 18081 12063 1 19 . 1 1 54 54 GLU H H 54 8.458 8.458 8.486 -0.028 18081 12064 1 19 . 1 1 55 55 VAL N N 55 115.767 115.767 124.008 -8.241 18081 12065 1 19 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.577 0.079 18081 12066 1 19 . 1 1 55 55 VAL C C 55 172.453 172.453 173.123 -0.670 18081 12067 1 19 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.112 -1.373 18081 12068 1 19 . 1 1 55 55 VAL CB C 55 33.972 33.972 34.211 -0.239 18081 12069 1 19 . 1 1 55 55 VAL H H 55 8.492 8.492 8.283 0.209 18081 12070 1 19 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.743 -0.076 18081 12071 1 19 . 1 1 56 56 PRO C C 56 177.445 177.445 176.905 0.540 18081 12072 1 19 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.437 -0.759 18081 12073 1 19 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.673 0.322 18081 12074 1 19 . 1 1 57 57 GLN N N 57 122.020 122.020 124.346 -2.326 18081 12075 1 19 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.058 -0.168 18081 12076 1 19 . 1 1 57 57 GLN C C 57 176.735 176.735 176.653 0.082 18081 12077 1 19 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.477 0.395 18081 12078 1 19 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.771 -0.929 18081 12079 1 19 . 1 1 57 57 GLN H H 57 8.466 8.466 8.443 0.023 18081 12080 1 19 . 1 1 58 58 GLY N N 58 112.805 112.805 111.064 1.741 18081 12081 1 19 . 1 1 58 58 GLY C C 58 172.686 172.686 173.367 -0.681 18081 12082 1 19 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.043 1.329 18081 12083 1 19 . 1 1 58 58 GLY H H 58 8.713 8.713 8.849 -0.136 18081 12084 1 19 . 1 1 59 59 ALA N N 59 122.839 122.839 125.277 -2.438 18081 12085 1 19 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.661 -0.110 18081 12086 1 19 . 1 1 59 59 ALA C C 59 176.659 176.659 176.900 -0.241 18081 12087 1 19 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.792 -0.060 18081 12088 1 19 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.394 -0.670 18081 12089 1 19 . 1 1 59 59 ALA H H 59 6.982 6.982 7.409 -0.427 18081 12090 1 19 . 1 1 60 60 GLU N N 60 123.390 123.390 120.794 2.596 18081 12091 1 19 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.309 -0.002 18081 12092 1 19 . 1 1 60 60 GLU C C 60 173.876 173.876 175.445 -1.569 18081 12093 1 19 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.886 -0.058 18081 12094 1 19 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.967 -0.653 18081 12095 1 19 . 1 1 60 60 GLU H H 60 8.260 8.260 8.395 -0.135 18081 12096 1 19 . 1 1 61 61 ILE N N 61 130.883 130.883 122.511 8.372 18081 12097 1 19 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.741 0.081 18081 12098 1 19 . 1 1 61 61 ILE C C 61 175.267 175.267 175.672 -0.405 18081 12099 1 19 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.803 -1.380 18081 12100 1 19 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.232 -3.480 18081 12101 1 19 . 1 1 61 61 ILE H H 61 9.103 9.103 8.527 0.576 18081 12102 1 19 . 1 1 62 62 VAL N N 62 127.879 127.879 128.180 -0.301 18081 12103 1 19 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.748 -0.400 18081 12104 1 19 . 1 1 62 62 VAL C C 62 175.598 175.598 175.684 -0.086 18081 12105 1 19 . 1 1 62 62 VAL CA C 62 60.743 60.743 61.347 -0.604 18081 12106 1 19 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.914 -0.710 18081 12107 1 19 . 1 1 62 62 VAL H H 62 8.992 8.992 8.954 0.038 18081 12108 1 19 . 1 1 63 63 PHE N N 63 125.354 125.354 129.630 -4.276 18081 12109 1 19 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.459 0.534 18081 12110 1 19 . 1 1 63 63 PHE C C 63 175.507 175.507 174.931 0.576 18081 12111 1 19 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.622 -1.815 18081 12112 1 19 . 1 1 63 63 PHE CB C 63 39.608 39.608 40.012 -0.404 18081 12113 1 19 . 1 1 63 63 PHE H H 63 9.521 9.521 8.554 0.967 18081 12114 1 19 . 1 1 64 64 LYS N N 64 123.471 123.471 122.769 0.702 18081 12115 1 19 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.052 0.041 18081 12116 1 19 . 1 1 64 64 LYS C C 64 175.877 175.877 175.352 0.525 18081 12117 1 19 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.380 -0.999 18081 12118 1 19 . 1 1 64 64 LYS CB C 64 33.069 33.069 33.760 -0.691 18081 12119 1 19 . 1 1 64 64 LYS H H 64 8.977 8.977 8.533 0.444 18081 12120 1 19 . 1 1 65 65 ILE N N 65 125.792 125.792 125.879 -0.087 18081 12121 1 19 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.072 0.731 18081 12122 1 19 . 1 1 65 65 ILE C C 65 175.724 175.724 175.152 0.572 18081 12123 1 19 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.467 -0.703 18081 12124 1 19 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.255 1.133 18081 12125 1 19 . 1 1 65 65 ILE H H 65 9.390 9.390 8.438 0.952 18081 12126 1 19 . 1 1 66 66 THR N N 66 119.455 119.455 121.009 -1.554 18081 12127 1 19 . 1 1 66 66 THR HA H 66 4.583 4.583 4.214 0.369 18081 12128 1 19 . 1 1 66 66 THR C C 66 170.978 170.978 172.323 -1.345 18081 12129 1 19 . 1 1 66 66 THR CA C 66 61.233 61.233 61.130 0.103 18081 12130 1 19 . 1 1 66 66 THR CB C 66 70.456 70.456 69.519 0.937 18081 12131 1 19 . 1 1 66 66 THR H H 66 8.176 8.176 7.793 0.383 18081 12132 1 19 . 1 1 67 67 SER N N 67 115.523 115.523 121.812 -6.289 18081 12133 1 19 . 1 1 67 67 SER HA H 67 6.316 6.316 5.174 1.142 18081 12134 1 19 . 1 1 67 67 SER C C 67 174.516 174.516 172.670 1.846 18081 12135 1 19 . 1 1 67 67 SER CA C 67 51.222 51.222 55.168 -3.946 18081 12136 1 19 . 1 1 67 67 SER CB C 67 66.501 66.501 65.445 1.056 18081 12137 1 19 . 1 1 67 67 SER H H 67 7.190 7.190 8.304 -1.114 18081 12138 1 19 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.340 0.487 18081 12139 1 19 . 1 1 68 68 PRO C C 68 174.360 174.360 175.799 -1.439 18081 12140 1 19 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.721 -2.153 18081 12141 1 19 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.080 0.409 18081 12142 1 19 . 1 1 69 69 ASP N N 69 120.505 120.505 117.950 2.555 18081 12143 1 19 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.880 -0.132 18081 12144 1 19 . 1 1 69 69 ASP C C 69 173.775 173.775 174.273 -0.498 18081 12145 1 19 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.229 1.220 18081 12146 1 19 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.707 1.274 18081 12147 1 19 . 1 1 69 69 ASP H H 69 8.594 8.594 8.528 0.066 18081 12148 1 19 . 1 1 70 70 VAL N N 70 120.074 120.074 115.601 4.473 18081 12149 1 19 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.314 0.260 18081 12150 1 19 . 1 1 70 70 VAL C C 70 174.866 174.866 174.447 0.419 18081 12151 1 19 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.157 -0.926 18081 12152 1 19 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.185 -0.125 18081 12153 1 19 . 1 1 70 70 VAL H H 70 10.855 10.855 7.631 3.224 18081 12154 1 19 . 1 1 71 71 ILE N N 71 121.272 121.272 121.664 -0.392 18081 12155 1 19 . 1 1 71 71 ILE HA H 71 4.438 4.438 3.979 0.459 18081 12156 1 19 . 1 1 71 71 ILE CA C 71 62.434 62.434 61.284 1.150 18081 12157 1 19 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.748 0.773 18081 12158 1 19 . 1 1 71 71 ILE H H 71 7.670 7.670 8.109 -0.439 18081 12159 1 19 . 1 1 73 73 GLY C C 73 172.580 172.580 172.618 -0.038 18081 12160 1 19 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.333 0.081 18081 12161 1 19 . 1 1 74 74 PHE N N 74 123.714 123.714 117.244 6.470 18081 12162 1 19 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.957 -0.672 18081 12163 1 19 . 1 1 74 74 PHE C C 74 171.502 171.502 173.723 -2.221 18081 12164 1 19 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.557 3.140 18081 12165 1 19 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.441 -0.647 18081 12166 1 19 . 1 1 74 74 PHE H H 74 8.712 8.712 7.403 1.309 18081 12167 1 19 . 1 1 75 75 HIS N N 75 124.835 124.835 121.559 3.276 18081 12168 1 19 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.788 0.670 18081 12169 1 19 . 1 1 75 75 HIS C C 75 172.817 172.817 173.118 -0.301 18081 12170 1 19 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.187 -2.764 18081 12171 1 19 . 1 1 75 75 HIS CB C 75 29.523 29.523 32.554 -3.031 18081 12172 1 19 . 1 1 75 75 HIS H H 75 7.786 7.786 8.751 -0.965 18081 12173 1 19 . 1 1 76 76 VAL N N 76 124.569 124.569 122.936 1.633 18081 12174 1 19 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.907 0.386 18081 12175 1 19 . 1 1 76 76 VAL C C 76 175.843 175.843 175.237 0.606 18081 12176 1 19 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.008 0.691 18081 12177 1 19 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.499 -4.131 18081 12178 1 19 . 1 1 76 76 VAL H H 76 6.558 6.558 8.098 -1.540 18081 12179 1 19 . 1 1 77 77 GLU N N 77 132.091 132.091 126.367 5.724 18081 12180 1 19 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.175 -0.286 18081 12181 1 19 . 1 1 77 77 GLU C C 77 176.941 176.941 177.710 -0.769 18081 12182 1 19 . 1 1 77 77 GLU CA C 77 58.697 58.697 56.425 2.272 18081 12183 1 19 . 1 1 77 77 GLU CB C 77 30.215 30.215 29.973 0.242 18081 12184 1 19 . 1 1 77 77 GLU H H 77 8.977 8.977 8.121 0.856 18081 12185 1 19 . 1 1 78 78 GLY N N 78 111.143 111.143 108.157 2.986 18081 12186 1 19 . 1 1 78 78 GLY C C 78 174.152 174.152 174.414 -0.262 18081 12187 1 19 . 1 1 78 78 GLY CA C 78 45.260 45.260 46.154 -0.894 18081 12188 1 19 . 1 1 78 78 GLY H H 78 8.052 8.052 8.946 -0.894 18081 12189 1 19 . 1 1 79 79 THR N N 79 109.705 109.705 116.504 -6.799 18081 12190 1 19 . 1 1 79 79 THR HA H 79 4.949 4.949 4.580 0.369 18081 12191 1 19 . 1 1 79 79 THR C C 79 173.397 173.397 173.648 -0.251 18081 12192 1 19 . 1 1 79 79 THR CA C 79 60.076 60.076 60.623 -0.547 18081 12193 1 19 . 1 1 79 79 THR CB C 79 72.829 72.829 71.151 1.678 18081 12194 1 19 . 1 1 79 79 THR H H 79 7.810 7.810 8.054 -0.244 18081 12195 1 19 . 1 1 80 80 ASN N N 80 116.427 116.427 120.660 -4.233 18081 12196 1 19 . 1 1 80 80 ASN HA H 80 4.920 4.920 5.011 -0.091 18081 12197 1 19 . 1 1 80 80 ASN C C 80 175.665 175.665 174.175 1.490 18081 12198 1 19 . 1 1 80 80 ASN CA C 80 52.023 52.023 52.662 -0.639 18081 12199 1 19 . 1 1 80 80 ASN CB C 80 37.532 37.532 38.064 -0.532 18081 12200 1 19 . 1 1 80 80 ASN H H 80 7.856 7.856 8.738 -0.882 18081 12201 1 19 . 1 1 81 81 ILE N N 81 121.552 121.552 122.375 -0.823 18081 12202 1 19 . 1 1 81 81 ILE HA H 81 3.797 3.797 4.166 -0.369 18081 12203 1 19 . 1 1 81 81 ILE C C 81 176.564 176.564 174.694 1.870 18081 12204 1 19 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.852 0.671 18081 12205 1 19 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.777 -0.676 18081 12206 1 19 . 1 1 81 81 ILE H H 81 8.493 8.493 7.676 0.817 18081 12207 1 19 . 1 1 82 82 ASN N N 82 131.507 131.507 127.826 3.681 18081 12208 1 19 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.932 0.219 18081 12209 1 19 . 1 1 82 82 ASN C C 82 173.025 173.025 174.238 -1.213 18081 12210 1 19 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.795 2.472 18081 12211 1 19 . 1 1 82 82 ASN CB C 82 39.806 39.806 38.332 1.474 18081 12212 1 19 . 1 1 82 82 ASN H H 82 8.911 8.911 8.665 0.246 18081 12213 1 19 . 1 1 83 83 VAL N N 83 120.866 120.866 117.586 3.280 18081 12214 1 19 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.421 0.244 18081 12215 1 19 . 1 1 83 83 VAL C C 83 173.954 173.954 174.502 -0.548 18081 12216 1 19 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.592 -1.472 18081 12217 1 19 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.509 3.144 18081 12218 1 19 . 1 1 83 83 VAL H H 83 8.356 8.356 8.210 0.146 18081 12219 1 19 . 1 1 84 84 GLU N N 84 125.997 125.997 125.334 0.663 18081 12220 1 19 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.626 -0.039 18081 12221 1 19 . 1 1 84 84 GLU C C 84 174.600 174.600 174.876 -0.276 18081 12222 1 19 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.449 -0.422 18081 12223 1 19 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.910 -1.101 18081 12224 1 19 . 1 1 84 84 GLU H H 84 8.534 8.534 8.444 0.090 18081 12225 1 19 . 1 1 85 85 VAL N N 85 125.888 125.888 118.501 7.387 18081 12226 1 19 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.498 -0.449 18081 12227 1 19 . 1 1 85 85 VAL C C 85 173.256 173.256 174.715 -1.459 18081 12228 1 19 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.259 1.258 18081 12229 1 19 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.678 -1.893 18081 12230 1 19 . 1 1 85 85 VAL H H 85 8.782 8.782 7.852 0.930 18081 12231 1 19 . 1 1 86 86 LEU N N 86 128.745 128.745 119.047 9.698 18081 12232 1 19 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.453 0.348 18081 12233 1 19 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.924 -1.990 18081 12234 1 19 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.643 1.767 18081 12235 1 19 . 1 1 86 86 LEU H H 86 9.131 9.131 8.274 0.857 18081 12236 1 19 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.524 0.140 18081 12237 1 19 . 1 1 87 87 PRO C C 87 178.454 178.454 177.850 0.604 18081 12238 1 19 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.068 -0.456 18081 12239 1 19 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.300 -1.095 18081 12240 1 19 . 1 1 88 88 GLY N N 88 112.804 112.804 108.142 4.662 18081 12241 1 19 . 1 1 88 88 GLY C C 88 173.451 173.451 173.280 0.171 18081 12242 1 19 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.211 -0.129 18081 12243 1 19 . 1 1 88 88 GLY H H 88 9.103 9.103 8.399 0.704 18081 12244 1 19 . 1 1 89 89 GLU N N 89 118.355 118.355 118.543 -0.188 18081 12245 1 19 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.641 0.459 18081 12246 1 19 . 1 1 89 89 GLU C C 89 176.719 176.719 174.636 2.083 18081 12247 1 19 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.782 -0.535 18081 12248 1 19 . 1 1 89 89 GLU CB C 89 32.863 32.863 32.743 0.120 18081 12249 1 19 . 1 1 89 89 GLU H H 89 7.764 7.764 7.614 0.150 18081 12250 1 19 . 1 1 90 90 VAL N N 90 127.142 127.142 125.377 1.765 18081 12251 1 19 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.497 0.003 18081 12252 1 19 . 1 1 90 90 VAL C C 90 176.838 176.838 175.356 1.482 18081 12253 1 19 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.930 -0.074 18081 12254 1 19 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.940 0.198 18081 12255 1 19 . 1 1 90 90 VAL H H 90 8.830 8.830 8.243 0.587 18081 12256 1 19 . 1 1 91 91 SER N N 91 127.859 127.859 124.667 3.192 18081 12257 1 19 . 1 1 91 91 SER HA H 91 4.924 4.924 4.718 0.206 18081 12258 1 19 . 1 1 91 91 SER C C 91 173.015 173.015 173.884 -0.869 18081 12259 1 19 . 1 1 91 91 SER CA C 91 58.118 58.118 57.201 0.917 18081 12260 1 19 . 1 1 91 91 SER CB C 91 63.931 63.931 63.899 0.032 18081 12261 1 19 . 1 1 91 91 SER H H 91 9.710 9.710 8.280 1.430 18081 12262 1 19 . 1 1 92 92 THR N N 92 122.627 122.627 124.710 -2.083 18081 12263 1 19 . 1 1 92 92 THR HA H 92 5.682 5.682 5.071 0.611 18081 12264 1 19 . 1 1 92 92 THR C C 92 174.480 174.480 174.107 0.373 18081 12265 1 19 . 1 1 92 92 THR CA C 92 61.856 61.856 62.124 -0.268 18081 12266 1 19 . 1 1 92 92 THR CB C 92 70.160 70.160 69.172 0.988 18081 12267 1 19 . 1 1 92 92 THR H H 92 8.864 8.864 8.601 0.263 18081 12268 1 19 . 1 1 93 93 VAL N N 93 126.698 126.698 125.995 0.703 18081 12269 1 19 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.526 -0.019 18081 12270 1 19 . 1 1 93 93 VAL C C 93 173.002 173.002 173.984 -0.982 18081 12271 1 19 . 1 1 93 93 VAL CA C 93 60.654 60.654 59.604 1.050 18081 12272 1 19 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.096 0.557 18081 12273 1 19 . 1 1 93 93 VAL H H 93 8.806 8.806 8.139 0.667 18081 12274 1 19 . 1 1 94 94 ARG N N 94 126.396 126.396 126.381 0.015 18081 12275 1 19 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.310 0.580 18081 12276 1 19 . 1 1 94 94 ARG C C 94 175.885 175.885 175.422 0.463 18081 12277 1 19 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.809 -0.428 18081 12278 1 19 . 1 1 94 94 ARG CB C 94 32.588 32.588 29.974 2.614 18081 12279 1 19 . 1 1 94 94 ARG H H 94 8.630 8.630 8.629 0.001 18081 12280 1 19 . 1 1 95 95 TYR N N 95 126.390 126.390 127.667 -1.277 18081 12281 1 19 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.780 -0.460 18081 12282 1 19 . 1 1 95 95 TYR C C 95 172.683 172.683 173.957 -1.274 18081 12283 1 19 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.727 1.859 18081 12284 1 19 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.460 3.993 18081 12285 1 19 . 1 1 95 95 TYR H H 95 9.623 9.623 8.287 1.336 18081 12286 1 19 . 1 1 96 96 THR N N 96 121.396 121.396 122.272 -0.876 18081 12287 1 19 . 1 1 96 96 THR HA H 96 4.684 4.684 4.751 -0.067 18081 12288 1 19 . 1 1 96 96 THR C C 96 172.729 172.729 173.106 -0.377 18081 12289 1 19 . 1 1 96 96 THR CA C 96 61.322 61.322 60.945 0.377 18081 12290 1 19 . 1 1 96 96 THR CB C 96 70.160 70.160 70.535 -0.375 18081 12291 1 19 . 1 1 96 96 THR H H 96 6.742 6.742 8.005 -1.263 18081 12292 1 19 . 1 1 97 97 PHE N N 97 126.539 126.539 126.522 0.017 18081 12293 1 19 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.592 -0.139 18081 12294 1 19 . 1 1 97 97 PHE C C 97 176.075 176.075 176.035 0.040 18081 12295 1 19 . 1 1 97 97 PHE CA C 97 58.207 58.207 56.917 1.290 18081 12296 1 19 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.508 -1.600 18081 12297 1 19 . 1 1 97 97 PHE H H 97 8.933 8.933 8.795 0.138 18081 12298 1 19 . 1 1 98 98 LYS N N 98 123.417 123.417 119.307 4.110 18081 12299 1 19 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.353 0.040 18081 12300 1 19 . 1 1 98 98 LYS C C 98 175.939 175.939 175.828 0.111 18081 12301 1 19 . 1 1 98 98 LYS CA C 98 56.783 56.783 55.864 0.919 18081 12302 1 19 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.656 -0.672 18081 12303 1 19 . 1 1 98 98 LYS H H 98 8.604 8.604 8.350 0.254 18081 12304 1 19 . 1 1 99 99 ARG N N 99 118.424 118.424 119.685 -1.261 18081 12305 1 19 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.722 0.298 18081 12306 1 19 . 1 1 99 99 ARG C C 99 174.332 174.332 173.641 0.691 18081 12307 1 19 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.840 -1.239 18081 12308 1 19 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.946 -0.346 18081 12309 1 19 . 1 1 99 99 ARG H H 99 7.801 7.801 7.765 0.036 18081 12310 1 19 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.456 -0.073 18081 12311 1 19 . 1 1 100 100 PRO C C 100 175.190 175.190 176.618 -1.428 18081 12312 1 19 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.736 -0.168 18081 12313 1 19 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.237 0.351 18081 12314 1 19 . 1 1 101 101 GLY N N 101 108.626 108.626 108.336 0.290 18081 12315 1 19 . 1 1 101 101 GLY C C 101 171.375 171.375 171.824 -0.449 18081 12316 1 19 . 1 1 101 101 GLY CA C 101 44.103 44.103 45.052 -0.949 18081 12317 1 19 . 1 1 101 101 GLY H H 101 8.685 8.685 7.781 0.904 18081 12318 1 19 . 1 1 102 102 GLU N N 102 119.327 119.327 120.429 -1.102 18081 12319 1 19 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.652 0.499 18081 12320 1 19 . 1 1 102 102 GLU C C 102 176.066 176.066 174.896 1.170 18081 12321 1 19 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.070 0.334 18081 12322 1 19 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.573 -0.368 18081 12323 1 19 . 1 1 102 102 GLU H H 102 8.144 8.144 8.388 -0.244 18081 12324 1 19 . 1 1 103 103 TYR N N 103 125.807 125.807 120.989 4.818 18081 12325 1 19 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.884 -0.238 18081 12326 1 19 . 1 1 103 103 TYR C C 103 174.711 174.711 173.584 1.127 18081 12327 1 19 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.638 -0.300 18081 12328 1 19 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.467 -0.278 18081 12329 1 19 . 1 1 103 103 TYR H H 103 9.687 9.687 8.224 1.463 18081 12330 1 19 . 1 1 104 104 ARG N N 104 124.463 124.463 118.672 5.791 18081 12331 1 19 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.495 0.132 18081 12332 1 19 . 1 1 104 104 ARG C C 104 174.570 174.570 174.177 0.393 18081 12333 1 19 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.637 1.128 18081 12334 1 19 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.238 -0.540 18081 12335 1 19 . 1 1 104 104 ARG H H 104 8.902 8.902 8.330 0.572 18081 12336 1 19 . 1 1 105 105 ILE N N 105 124.589 124.589 118.474 6.115 18081 12337 1 19 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.078 0.291 18081 12338 1 19 . 1 1 105 105 ILE C C 105 175.576 175.576 175.054 0.522 18081 12339 1 19 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.216 -1.281 18081 12340 1 19 . 1 1 105 105 ILE CB C 105 39.811 39.811 37.302 2.509 18081 12341 1 19 . 1 1 105 105 ILE H H 105 8.289 8.289 8.338 -0.049 18081 12342 1 19 . 1 1 106 106 ILE N N 106 121.777 121.777 125.709 -3.932 18081 12343 1 19 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.238 0.800 18081 12344 1 19 . 1 1 106 106 ILE CA C 106 59.223 59.223 61.539 -2.316 18081 12345 1 19 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.016 3.459 18081 12346 1 19 . 1 1 106 106 ILE H H 106 8.765 8.765 8.700 0.065 18081 12347 1 19 . 1 1 109 109 GLN HA H 109 4.122 4.122 3.714 0.408 18081 12348 1 19 . 1 1 109 109 GLN C C 109 175.724 175.724 175.329 0.395 18081 12349 1 19 . 1 1 109 109 GLN CA C 109 56.472 56.472 58.651 -2.179 18081 12350 1 19 . 1 1 109 109 GLN CB C 109 29.128 29.128 27.365 1.763 18081 12351 1 19 . 1 1 110 110 TYR N N 110 120.856 120.856 118.197 2.659 18081 12352 1 19 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.590 -0.101 18081 12353 1 19 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.441 -1.456 18081 12354 1 19 . 1 1 110 110 TYR CB C 110 37.927 37.927 40.763 -2.836 18081 12355 1 19 . 1 1 110 110 TYR H H 110 8.191 8.191 7.962 0.229 18081 12356 1 19 . 1 1 111 111 CYS N N 111 120.561 120.561 117.757 2.804 18081 12357 1 19 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.612 -0.229 18081 12358 1 19 . 1 1 111 111 CYS C C 111 174.692 174.692 174.138 0.554 18081 12359 1 19 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.774 -1.157 18081 12360 1 19 . 1 1 111 111 CYS CB C 111 27.976 27.976 30.811 -2.836 18081 12361 1 19 . 1 1 111 111 CYS H H 111 8.166 8.166 8.194 -0.028 18081 12362 1 19 . 1 1 112 112 GLY N N 112 111.467 111.467 108.833 2.634 18081 12363 1 19 . 1 1 112 112 GLY C C 112 173.900 173.900 172.710 1.190 18081 12364 1 19 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.799 0.346 18081 12365 1 19 . 1 1 112 112 GLY H H 112 8.239 8.239 7.695 0.544 18081 12366 1 19 . 1 1 113 113 LEU N N 113 122.150 122.150 125.408 -3.258 18081 12367 1 19 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.544 -0.220 18081 12368 1 19 . 1 1 113 113 LEU C C 113 178.068 178.068 178.016 0.052 18081 12369 1 19 . 1 1 113 113 LEU CA C 113 55.718 55.718 54.847 0.871 18081 12370 1 19 . 1 1 113 113 LEU CB C 113 42.079 42.079 43.448 -1.369 18081 12371 1 19 . 1 1 113 113 LEU H H 113 8.179 8.179 8.550 -0.371 18081 12372 1 19 . 1 1 114 114 GLY N N 114 109.278 109.278 108.086 1.192 18081 12373 1 19 . 1 1 114 114 GLY C C 114 174.142 174.142 174.562 -0.420 18081 12374 1 19 . 1 1 114 114 GLY CA C 114 45.349 45.349 46.011 -0.662 18081 12375 1 19 . 1 1 114 114 GLY H H 114 8.393 8.393 7.913 0.480 18081 12376 1 19 . 1 1 117 117 ASN N N 117 120.387 120.387 118.362 2.025 18081 12377 1 19 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.724 -0.046 18081 12378 1 19 . 1 1 117 117 ASN C C 117 174.422 174.422 175.124 -0.702 18081 12379 1 19 . 1 1 117 117 ASN CA C 117 53.179 53.179 52.826 0.353 18081 12380 1 19 . 1 1 117 117 ASN CB C 117 39.015 39.015 38.914 0.100 18081 12381 1 19 . 1 1 117 117 ASN H H 117 8.522 8.522 8.202 0.320 18081 12382 1 19 . 1 1 118 118 MET N N 118 120.526 120.526 116.768 3.758 18081 12383 1 19 . 1 1 118 118 MET C C 118 173.321 173.321 175.133 -1.812 18081 12384 1 19 . 1 1 118 118 MET CA C 118 55.360 55.360 54.445 0.915 18081 12385 1 19 . 1 1 118 118 MET CB C 118 34.467 34.467 33.040 1.427 18081 12386 1 19 . 1 1 118 118 MET H H 118 7.981 7.981 8.165 -0.184 18081 12387 1 19 . 1 1 119 119 PHE N N 119 119.704 119.704 118.057 1.647 18081 12388 1 19 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.672 1.150 18081 12389 1 19 . 1 1 119 119 PHE C C 119 174.894 174.894 176.190 -1.296 18081 12390 1 19 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.430 -1.314 18081 12391 1 19 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.672 2.705 18081 12392 1 19 . 1 1 119 119 PHE H H 119 8.068 8.068 8.108 -0.040 18081 12393 1 19 . 1 1 120 120 GLY N N 120 109.869 109.869 109.908 -0.039 18081 12394 1 19 . 1 1 120 120 GLY C C 120 172.817 172.817 173.563 -0.746 18081 12395 1 19 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.913 -0.632 18081 12396 1 19 . 1 1 120 120 GLY H H 120 8.984 8.984 8.710 0.274 18081 12397 1 19 . 1 1 121 121 THR N N 121 115.820 115.820 114.243 1.577 18081 12398 1 19 . 1 1 121 121 THR HA H 121 5.068 5.068 4.496 0.572 18081 12399 1 19 . 1 1 121 121 THR C C 121 173.062 173.062 173.128 -0.066 18081 12400 1 19 . 1 1 121 121 THR CA C 121 62.745 62.745 62.101 0.644 18081 12401 1 19 . 1 1 121 121 THR CB C 121 72.533 72.533 71.393 1.140 18081 12402 1 19 . 1 1 121 121 THR H H 121 8.123 8.123 8.272 -0.149 18081 12403 1 19 . 1 1 122 122 ILE N N 122 127.420 127.420 126.879 0.541 18081 12404 1 19 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.215 0.620 18081 12405 1 19 . 1 1 122 122 ILE C C 122 174.260 174.260 172.623 1.637 18081 12406 1 19 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.841 -0.765 18081 12407 1 19 . 1 1 122 122 ILE CB C 122 40.399 40.399 41.554 -1.155 18081 12408 1 19 . 1 1 122 122 ILE H H 122 9.152 9.152 8.372 0.780 18081 12409 1 19 . 1 1 123 123 VAL N N 123 130.032 130.032 126.103 3.929 18081 12410 1 19 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.237 0.142 18081 12411 1 19 . 1 1 123 123 VAL C C 123 174.012 174.012 173.442 0.570 18081 12412 1 19 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.237 2.574 18081 12413 1 19 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.197 -1.917 18081 12414 1 19 . 1 1 123 123 VAL H H 123 9.601 9.601 7.886 1.715 18081 12415 1 19 . 1 1 124 124 VAL N N 124 128.765 128.765 127.576 1.189 18081 12416 1 19 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.499 0.200 18081 12417 1 19 . 1 1 124 124 VAL C C 124 177.239 177.239 175.285 1.954 18081 12418 1 19 . 1 1 124 124 VAL CA C 124 60.565 60.565 60.359 0.206 18081 12419 1 19 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.962 -1.659 18081 12420 1 19 . 1 1 124 124 VAL H H 124 9.056 9.056 8.565 0.491 18081 12421 1 19 . 1 1 125 125 LYS N N 125 129.953 129.953 126.396 3.557 18081 12422 1 19 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.649 -0.308 18081 12423 1 19 . 1 1 125 125 LYS C C 125 175.317 175.317 176.390 -1.073 18081 12424 1 19 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.925 1.524 18081 12425 1 19 . 1 1 125 125 LYS CB C 125 33.577 33.577 33.144 0.433 18081 12426 1 19 . 1 1 125 125 LYS H H 125 8.854 8.854 8.532 0.322 18081 12427 1 20 . 1 1 2 2 VAL N N 2 126.137 126.137 120.720 5.417 18081 12428 1 20 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.155 -0.129 18081 12429 1 20 . 1 1 2 2 VAL C C 2 176.484 176.484 175.202 1.282 18081 12430 1 20 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.322 0.246 18081 12431 1 20 . 1 1 2 2 VAL CB C 2 32.391 32.391 32.224 0.167 18081 12432 1 20 . 1 1 2 2 VAL H H 2 8.035 8.035 7.945 0.090 18081 12433 1 20 . 1 1 3 3 ILE N N 3 124.059 124.059 121.437 2.622 18081 12434 1 20 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.678 -0.183 18081 12435 1 20 . 1 1 3 3 ILE C C 3 174.606 174.606 174.433 0.173 18081 12436 1 20 . 1 1 3 3 ILE CA C 3 58.385 58.385 57.971 0.414 18081 12437 1 20 . 1 1 3 3 ILE CB C 3 38.521 38.521 38.385 0.136 18081 12438 1 20 . 1 1 3 3 ILE H H 3 7.856 7.856 7.952 -0.096 18081 12439 1 20 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.490 -0.117 18081 12440 1 20 . 1 1 4 4 PRO C C 4 176.585 176.585 175.828 0.757 18081 12441 1 20 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.620 0.570 18081 12442 1 20 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.430 -0.466 18081 12443 1 20 . 1 1 5 5 ALA N N 5 125.371 125.371 121.692 3.679 18081 12444 1 20 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.559 -0.272 18081 12445 1 20 . 1 1 5 5 ALA C C 5 178.454 178.454 177.672 0.782 18081 12446 1 20 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.430 0.305 18081 12447 1 20 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.340 -0.297 18081 12448 1 20 . 1 1 5 5 ALA H H 5 8.458 8.458 8.537 -0.079 18081 12449 1 20 . 1 1 6 6 GLY N N 6 108.626 108.626 112.429 -3.803 18081 12450 1 20 . 1 1 6 6 GLY C C 6 173.996 173.996 174.855 -0.859 18081 12451 1 20 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.834 -0.662 18081 12452 1 20 . 1 1 6 6 GLY H H 6 8.378 8.378 8.508 -0.130 18081 12453 1 20 . 1 1 7 7 LYS N N 7 121.320 121.320 123.246 -1.926 18081 12454 1 20 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.652 -0.323 18081 12455 1 20 . 1 1 7 7 LYS C C 7 176.362 176.362 176.069 0.293 18081 12456 1 20 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.873 0.243 18081 12457 1 20 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.979 -0.995 18081 12458 1 20 . 1 1 7 7 LYS H H 7 7.976 7.976 8.262 -0.286 18081 12459 1 20 . 1 1 8 8 LEU N N 8 124.548 124.548 116.487 8.061 18081 12460 1 20 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.042 0.349 18081 12461 1 20 . 1 1 8 8 LEU C C 8 176.772 176.772 175.234 1.538 18081 12462 1 20 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.892 -0.710 18081 12463 1 20 . 1 1 8 8 LEU CB C 8 42.475 42.475 41.740 0.735 18081 12464 1 20 . 1 1 8 8 LEU H H 8 8.283 8.283 8.515 -0.232 18081 12465 1 20 . 1 1 9 9 GLU N N 9 124.888 124.888 120.246 4.642 18081 12466 1 20 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.685 -0.295 18081 12467 1 20 . 1 1 9 9 GLU C C 9 174.919 174.919 175.091 -0.172 18081 12468 1 20 . 1 1 9 9 GLU CA C 9 56.472 56.472 54.918 1.554 18081 12469 1 20 . 1 1 9 9 GLU CB C 9 30.611 30.611 33.640 -3.029 18081 12470 1 20 . 1 1 9 9 GLU H H 9 8.679 8.679 8.371 0.308 18081 12471 1 20 . 1 1 10 10 ARG N N 10 123.557 123.557 122.194 1.363 18081 12472 1 20 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.560 0.412 18081 12473 1 20 . 1 1 10 10 ARG C C 10 175.727 175.727 175.695 0.032 18081 12474 1 20 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.668 -0.583 18081 12475 1 20 . 1 1 10 10 ARG CB C 10 32.545 32.545 30.787 1.758 18081 12476 1 20 . 1 1 10 10 ARG H H 10 8.248 8.248 8.623 -0.375 18081 12477 1 20 . 1 1 11 11 VAL N N 11 118.077 118.077 120.456 -2.379 18081 12478 1 20 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.407 -0.027 18081 12479 1 20 . 1 1 11 11 VAL C C 11 173.297 173.297 174.571 -1.274 18081 12480 1 20 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.729 -0.143 18081 12481 1 20 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.400 0.363 18081 12482 1 20 . 1 1 11 11 VAL H H 11 8.039 8.039 7.950 0.089 18081 12483 1 20 . 1 1 12 12 ASP N N 12 123.786 123.786 116.799 6.987 18081 12484 1 20 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.033 -0.082 18081 12485 1 20 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.851 -1.252 18081 12486 1 20 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.782 -2.394 18081 12487 1 20 . 1 1 12 12 ASP H H 12 8.313 8.313 8.204 0.108 18081 12488 1 20 . 1 1 13 13 PRO C C 13 177.705 177.705 177.591 0.114 18081 12489 1 20 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.224 0.515 18081 12490 1 20 . 1 1 13 13 PRO CB C 13 31.622 31.622 32.049 -0.427 18081 12491 1 20 . 1 1 14 14 THR N N 14 109.188 109.188 115.483 -6.295 18081 12492 1 20 . 1 1 14 14 THR HA H 14 4.252 4.252 4.057 0.195 18081 12493 1 20 . 1 1 14 14 THR C C 14 176.733 176.733 175.622 1.111 18081 12494 1 20 . 1 1 14 14 THR CA C 14 63.996 63.996 65.466 -1.470 18081 12495 1 20 . 1 1 14 14 THR CB C 14 69.270 69.270 68.971 0.299 18081 12496 1 20 . 1 1 14 14 THR H H 14 8.413 8.413 8.183 0.230 18081 12497 1 20 . 1 1 15 15 THR N N 15 108.904 108.904 109.131 -0.227 18081 12498 1 20 . 1 1 15 15 THR HA H 15 4.733 4.733 4.485 0.248 18081 12499 1 20 . 1 1 15 15 THR C C 15 177.174 177.174 174.334 2.840 18081 12500 1 20 . 1 1 15 15 THR CA C 15 61.589 61.589 61.619 -0.030 18081 12501 1 20 . 1 1 15 15 THR CB C 15 70.654 70.654 69.859 0.795 18081 12502 1 20 . 1 1 15 15 THR H H 15 7.413 7.413 8.007 -0.594 18081 12503 1 20 . 1 1 16 16 VAL N N 16 122.387 122.387 122.666 -0.279 18081 12504 1 20 . 1 1 16 16 VAL HA H 16 4.198 4.198 4.055 0.143 18081 12505 1 20 . 1 1 16 16 VAL C C 16 175.683 175.683 175.134 0.549 18081 12506 1 20 . 1 1 16 16 VAL CA C 16 64.452 64.452 63.995 0.457 18081 12507 1 20 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.206 -0.705 18081 12508 1 20 . 1 1 16 16 VAL H H 16 7.143 7.143 7.394 -0.251 18081 12509 1 20 . 1 1 17 17 ARG N N 17 115.917 115.917 116.350 -0.433 18081 12510 1 20 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.326 -0.055 18081 12511 1 20 . 1 1 17 17 ARG C C 17 175.861 175.861 177.999 -2.138 18081 12512 1 20 . 1 1 17 17 ARG CA C 17 57.050 57.050 58.265 -1.215 18081 12513 1 20 . 1 1 17 17 ARG CB C 17 30.026 30.026 30.521 -0.495 18081 12514 1 20 . 1 1 17 17 ARG H H 17 8.227 8.227 8.290 -0.063 18081 12515 1 20 . 1 1 18 18 GLN N N 18 117.044 117.044 117.029 0.015 18081 12516 1 20 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.348 0.051 18081 12517 1 20 . 1 1 18 18 GLN C C 18 175.506 175.506 175.843 -0.337 18081 12518 1 20 . 1 1 18 18 GLN CA C 18 57.139 57.139 56.718 0.421 18081 12519 1 20 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.086 1.723 18081 12520 1 20 . 1 1 18 18 GLN H H 18 7.765 7.765 8.271 -0.506 18081 12521 1 20 . 1 1 19 19 GLU N N 19 118.659 118.659 117.880 0.779 18081 12522 1 20 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.554 0.005 18081 12523 1 20 . 1 1 19 19 GLU C C 19 175.081 175.081 174.838 0.243 18081 12524 1 20 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.754 -0.572 18081 12525 1 20 . 1 1 19 19 GLU CB C 19 32.391 32.391 32.487 -0.096 18081 12526 1 20 . 1 1 19 19 GLU H H 19 8.070 8.070 7.913 0.157 18081 12527 1 20 . 1 1 20 20 GLY N N 20 113.694 113.694 111.532 2.162 18081 12528 1 20 . 1 1 20 20 GLY C C 20 174.150 174.150 172.606 1.544 18081 12529 1 20 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.778 -0.230 18081 12530 1 20 . 1 1 20 20 GLY H H 20 8.933 8.933 8.182 0.751 18081 12531 1 20 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.166 -0.493 18081 12532 1 20 . 1 1 21 21 PRO C C 21 176.703 176.703 176.650 0.053 18081 12533 1 20 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.567 0.314 18081 12534 1 20 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.084 -1.047 18081 12535 1 20 . 1 1 22 22 TRP N N 22 117.898 117.898 116.812 1.086 18081 12536 1 20 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.595 -0.280 18081 12537 1 20 . 1 1 22 22 TRP C C 22 174.965 174.965 176.975 -2.010 18081 12538 1 20 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.878 2.643 18081 12539 1 20 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.345 0.926 18081 12540 1 20 . 1 1 22 22 TRP H H 22 8.759 8.759 8.075 0.684 18081 12541 1 20 . 1 1 23 23 ALA N N 23 120.887 120.887 121.692 -0.805 18081 12542 1 20 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.503 -0.579 18081 12543 1 20 . 1 1 23 23 ALA C C 23 177.520 177.520 178.133 -0.613 18081 12544 1 20 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.589 1.192 18081 12545 1 20 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.252 -0.704 18081 12546 1 20 . 1 1 23 23 ALA H H 23 7.232 7.232 7.438 -0.206 18081 12547 1 20 . 1 1 24 24 ASP N N 24 115.176 115.176 117.650 -2.474 18081 12548 1 20 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.130 0.056 18081 12549 1 20 . 1 1 24 24 ASP C C 24 176.860 176.860 175.376 1.484 18081 12550 1 20 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.103 -1.483 18081 12551 1 20 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.770 -1.283 18081 12552 1 20 . 1 1 24 24 ASP H H 24 7.718 7.718 7.548 0.170 18081 12553 1 20 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.481 -0.182 18081 12554 1 20 . 1 1 25 25 PRO C C 25 177.445 177.445 177.161 0.284 18081 12555 1 20 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.549 -0.068 18081 12556 1 20 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.121 -0.225 18081 12557 1 20 . 1 1 26 26 ALA N N 26 120.150 120.150 121.032 -0.882 18081 12558 1 20 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.271 0.034 18081 12559 1 20 . 1 1 26 26 ALA C C 26 179.061 179.061 178.726 0.335 18081 12560 1 20 . 1 1 26 26 ALA CA C 26 53.847 53.847 54.082 -0.235 18081 12561 1 20 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.255 -0.003 18081 12562 1 20 . 1 1 26 26 ALA H H 26 8.158 8.158 8.142 0.016 18081 12563 1 20 . 1 1 27 27 GLN N N 27 117.617 117.617 115.672 1.945 18081 12564 1 20 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.435 0.260 18081 12565 1 20 . 1 1 27 27 GLN C C 27 175.309 175.309 175.912 -0.603 18081 12566 1 20 . 1 1 27 27 GLN CA C 27 54.258 54.258 54.645 -0.388 18081 12567 1 20 . 1 1 27 27 GLN CB C 27 28.732 28.732 27.760 0.972 18081 12568 1 20 . 1 1 27 27 GLN H H 27 7.732 7.732 7.604 0.128 18081 12569 1 20 . 1 1 28 28 ALA N N 28 122.069 122.069 122.214 -0.145 18081 12570 1 20 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.376 0.005 18081 12571 1 20 . 1 1 28 28 ALA C C 28 176.358 176.358 176.064 0.294 18081 12572 1 20 . 1 1 28 28 ALA CA C 28 55.582 55.582 53.777 1.805 18081 12573 1 20 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.697 1.224 18081 12574 1 20 . 1 1 28 28 ALA H H 28 6.996 6.996 7.401 -0.405 18081 12575 1 20 . 1 1 29 29 VAL N N 29 114.478 114.478 115.388 -0.910 18081 12576 1 20 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.315 0.392 18081 12577 1 20 . 1 1 29 29 VAL C C 29 176.252 176.252 174.500 1.752 18081 12578 1 20 . 1 1 29 29 VAL CA C 29 61.989 61.989 60.798 1.191 18081 12579 1 20 . 1 1 29 29 VAL CB C 29 31.600 31.600 34.010 -2.410 18081 12580 1 20 . 1 1 29 29 VAL H H 29 7.868 7.868 7.419 0.449 18081 12581 1 20 . 1 1 30 30 VAL N N 30 129.718 129.718 124.824 4.894 18081 12582 1 20 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.510 -0.123 18081 12583 1 20 . 1 1 30 30 VAL C C 30 175.107 175.107 174.365 0.742 18081 12584 1 20 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.526 0.217 18081 12585 1 20 . 1 1 30 30 VAL CB C 30 35.258 35.258 36.202 -0.944 18081 12586 1 20 . 1 1 30 30 VAL H H 30 9.556 9.556 7.831 1.725 18081 12587 1 20 . 1 1 31 31 GLN N N 31 129.372 129.372 127.415 1.957 18081 12588 1 20 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.346 -0.205 18081 12589 1 20 . 1 1 31 31 GLN C C 31 176.413 176.413 175.622 0.791 18081 12590 1 20 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.284 0.766 18081 12591 1 20 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.213 -1.162 18081 12592 1 20 . 1 1 31 31 GLN H H 31 9.153 9.153 8.838 0.315 18081 12593 1 20 . 1 1 32 32 THR N N 32 119.775 119.775 120.245 -0.470 18081 12594 1 20 . 1 1 32 32 THR HA H 32 4.392 4.392 4.422 -0.030 18081 12595 1 20 . 1 1 32 32 THR C C 32 174.102 174.102 174.574 -0.472 18081 12596 1 20 . 1 1 32 32 THR CA C 32 61.678 61.678 61.844 -0.166 18081 12597 1 20 . 1 1 32 32 THR CB C 32 68.775 68.775 69.838 -1.063 18081 12598 1 20 . 1 1 32 32 THR H H 32 8.266 8.266 8.058 0.208 18081 12599 1 20 . 1 1 33 33 GLY N N 33 111.761 111.761 109.206 2.555 18081 12600 1 20 . 1 1 33 33 GLY C C 33 170.586 170.586 172.561 -1.975 18081 12601 1 20 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.172 1.910 18081 12602 1 20 . 1 1 33 33 GLY H H 33 7.997 7.997 7.488 0.509 18081 12603 1 20 . 1 1 34 34 PRO C C 34 176.674 176.674 176.288 0.386 18081 12604 1 20 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.485 0.396 18081 12605 1 20 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.395 -1.034 18081 12606 1 20 . 1 1 35 35 ASN N N 35 117.681 117.681 113.022 4.659 18081 12607 1 20 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.693 0.161 18081 12608 1 20 . 1 1 35 35 ASN C C 35 173.262 173.262 172.882 0.380 18081 12609 1 20 . 1 1 35 35 ASN CA C 35 52.123 52.123 52.939 -0.816 18081 12610 1 20 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.487 0.269 18081 12611 1 20 . 1 1 35 35 ASN H H 35 8.649 8.649 8.362 0.287 18081 12612 1 20 . 1 1 36 36 GLN N N 36 119.276 119.276 116.990 2.286 18081 12613 1 20 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.898 0.669 18081 12614 1 20 . 1 1 36 36 GLN C C 36 173.292 173.292 173.861 -0.569 18081 12615 1 20 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.323 0.280 18081 12616 1 20 . 1 1 36 36 GLN CB C 36 33.874 33.874 30.740 3.134 18081 12617 1 20 . 1 1 36 36 GLN H H 36 6.953 6.953 7.475 -0.522 18081 12618 1 20 . 1 1 37 37 TYR N N 37 125.339 125.339 124.348 0.991 18081 12619 1 20 . 1 1 37 37 TYR HA H 37 5.064 5.064 5.173 -0.109 18081 12620 1 20 . 1 1 37 37 TYR C C 37 174.321 174.321 176.023 -1.702 18081 12621 1 20 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.168 0.304 18081 12622 1 20 . 1 1 37 37 TYR CB C 37 40.696 40.696 40.097 0.599 18081 12623 1 20 . 1 1 37 37 TYR H H 37 8.898 8.898 8.404 0.494 18081 12624 1 20 . 1 1 38 38 THR N N 38 121.935 121.935 120.369 1.566 18081 12625 1 20 . 1 1 38 38 THR HA H 38 5.098 5.098 4.309 0.789 18081 12626 1 20 . 1 1 38 38 THR C C 38 172.253 172.253 173.768 -1.515 18081 12627 1 20 . 1 1 38 38 THR CA C 38 61.589 61.589 62.453 -0.864 18081 12628 1 20 . 1 1 38 38 THR CB C 38 69.764 69.764 68.471 1.293 18081 12629 1 20 . 1 1 38 38 THR H H 38 9.592 9.592 8.918 0.674 18081 12630 1 20 . 1 1 39 39 VAL N N 39 126.189 126.189 128.666 -2.477 18081 12631 1 20 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.264 0.837 18081 12632 1 20 . 1 1 39 39 VAL C C 39 174.612 174.612 174.562 0.050 18081 12633 1 20 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.632 -2.001 18081 12634 1 20 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.564 1.507 18081 12635 1 20 . 1 1 39 39 VAL H H 39 8.710 8.710 7.685 1.025 18081 12636 1 20 . 1 1 40 40 TYR N N 40 130.243 130.243 126.494 3.749 18081 12637 1 20 . 1 1 40 40 TYR HA H 40 4.641 4.641 4.836 -0.195 18081 12638 1 20 . 1 1 40 40 TYR C C 40 174.840 174.840 175.782 -0.942 18081 12639 1 20 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.525 2.127 18081 12640 1 20 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.509 -2.669 18081 12641 1 20 . 1 1 40 40 TYR H H 40 9.139 9.139 8.510 0.629 18081 12642 1 20 . 1 1 41 41 VAL N N 41 124.415 124.415 120.809 3.606 18081 12643 1 20 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.782 0.558 18081 12644 1 20 . 1 1 41 41 VAL C C 41 175.680 175.680 174.305 1.375 18081 12645 1 20 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.228 -0.974 18081 12646 1 20 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.616 0.246 18081 12647 1 20 . 1 1 41 41 VAL H H 41 8.686 8.686 9.216 -0.530 18081 12648 1 20 . 1 1 42 42 LEU N N 42 129.148 129.148 129.421 -0.273 18081 12649 1 20 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.988 0.158 18081 12650 1 20 . 1 1 42 42 LEU C C 42 175.161 175.161 175.656 -0.495 18081 12651 1 20 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.861 -1.082 18081 12652 1 20 . 1 1 42 42 LEU CB C 42 45.639 45.639 44.128 1.511 18081 12653 1 20 . 1 1 42 42 LEU H H 42 9.694 9.694 8.732 0.962 18081 12654 1 20 . 1 1 43 43 ALA N N 43 130.434 130.434 129.915 0.519 18081 12655 1 20 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.714 0.008 18081 12656 1 20 . 1 1 43 43 ALA C C 43 173.292 173.292 175.235 -1.943 18081 12657 1 20 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.508 -1.353 18081 12658 1 20 . 1 1 43 43 ALA CB C 43 20.130 20.130 22.182 -2.052 18081 12659 1 20 . 1 1 43 43 ALA H H 43 8.679 8.679 8.167 0.512 18081 12660 1 20 . 1 1 44 44 PHE N N 44 118.472 118.472 117.736 0.736 18081 12661 1 20 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.877 0.332 18081 12662 1 20 . 1 1 44 44 PHE C C 44 172.698 172.698 173.967 -1.269 18081 12663 1 20 . 1 1 44 44 PHE CA C 44 54.125 54.125 56.214 -2.088 18081 12664 1 20 . 1 1 44 44 PHE CB C 44 42.673 42.673 41.608 1.065 18081 12665 1 20 . 1 1 44 44 PHE H H 44 7.756 7.756 7.513 0.243 18081 12666 1 20 . 1 1 45 45 ALA N N 45 122.901 122.901 122.310 0.591 18081 12667 1 20 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.165 -0.752 18081 12668 1 20 . 1 1 45 45 ALA C C 45 177.267 177.267 176.320 0.947 18081 12669 1 20 . 1 1 45 45 ALA CA C 45 46.283 46.283 51.979 -5.696 18081 12670 1 20 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.691 -2.911 18081 12671 1 20 . 1 1 45 45 ALA H H 45 9.739 9.739 8.609 1.130 18081 12672 1 20 . 1 1 46 46 PHE N N 46 128.515 128.515 119.360 9.155 18081 12673 1 20 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.692 0.528 18081 12674 1 20 . 1 1 46 46 PHE C C 46 173.387 173.387 175.347 -1.960 18081 12675 1 20 . 1 1 46 46 PHE CA C 46 60.031 60.031 57.061 2.970 18081 12676 1 20 . 1 1 46 46 PHE CB C 46 40.399 40.399 39.144 1.255 18081 12677 1 20 . 1 1 46 46 PHE H H 46 7.994 7.994 8.152 -0.158 18081 12678 1 20 . 1 1 47 47 GLY N N 47 113.741 113.741 110.126 3.615 18081 12679 1 20 . 1 1 47 47 GLY C C 47 167.774 167.774 172.423 -4.649 18081 12680 1 20 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.790 0.445 18081 12681 1 20 . 1 1 47 47 GLY H H 47 7.796 7.796 7.807 -0.011 18081 12682 1 20 . 1 1 48 48 TYR N N 48 119.637 119.637 119.959 -0.322 18081 12683 1 20 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.620 0.718 18081 12684 1 20 . 1 1 48 48 TYR C C 48 175.042 175.042 173.836 1.206 18081 12685 1 20 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.526 -1.232 18081 12686 1 20 . 1 1 48 48 TYR CB C 48 41.962 41.962 41.249 0.713 18081 12687 1 20 . 1 1 48 48 TYR H H 48 8.370 8.370 8.590 -0.220 18081 12688 1 20 . 1 1 49 49 GLN N N 49 121.776 121.776 121.293 0.483 18081 12689 1 20 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.820 -0.003 18081 12690 1 20 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.854 -1.520 18081 12691 1 20 . 1 1 49 49 GLN CB C 49 33.874 33.874 31.607 2.267 18081 12692 1 20 . 1 1 49 49 GLN H H 49 9.163 9.163 8.573 0.590 18081 12693 1 20 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.596 0.146 18081 12694 1 20 . 1 1 50 50 PRO C C 50 174.271 174.271 175.836 -1.565 18081 12695 1 20 . 1 1 50 50 PRO CA C 50 62.790 62.790 63.088 -0.298 18081 12696 1 20 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.242 2.423 18081 12697 1 20 . 1 1 51 51 ASN N N 51 113.755 113.755 118.159 -4.404 18081 12698 1 20 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.074 0.006 18081 12699 1 20 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.200 -0.201 18081 12700 1 20 . 1 1 51 51 ASN CB C 51 40.696 40.696 39.140 1.556 18081 12701 1 20 . 1 1 51 51 ASN H H 51 8.229 8.229 8.436 -0.207 18081 12702 1 20 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.423 0.848 18081 12703 1 20 . 1 1 52 52 PRO C C 52 176.525 176.525 176.048 0.477 18081 12704 1 20 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.787 0.804 18081 12705 1 20 . 1 1 52 52 PRO CB C 52 34.907 34.907 30.416 4.491 18081 12706 1 20 . 1 1 53 53 ILE N N 53 120.452 120.452 125.124 -4.672 18081 12707 1 20 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.050 0.016 18081 12708 1 20 . 1 1 53 53 ILE C C 53 174.236 174.236 174.775 -0.539 18081 12709 1 20 . 1 1 53 53 ILE CA C 53 61.500 61.500 61.193 0.307 18081 12710 1 20 . 1 1 53 53 ILE CB C 53 39.905 39.905 36.988 2.917 18081 12711 1 20 . 1 1 53 53 ILE H H 53 8.321 8.321 8.399 -0.078 18081 12712 1 20 . 1 1 54 54 GLU N N 54 129.279 129.279 128.055 1.224 18081 12713 1 20 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.590 0.877 18081 12714 1 20 . 1 1 54 54 GLU C C 54 175.598 175.598 175.859 -0.261 18081 12715 1 20 . 1 1 54 54 GLU CA C 54 55.004 55.004 56.209 -1.205 18081 12716 1 20 . 1 1 54 54 GLU CB C 54 30.907 30.907 31.207 -0.300 18081 12717 1 20 . 1 1 54 54 GLU H H 54 8.458 8.458 7.916 0.542 18081 12718 1 20 . 1 1 55 55 VAL N N 55 115.767 115.767 126.086 -10.319 18081 12719 1 20 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.315 0.341 18081 12720 1 20 . 1 1 55 55 VAL C C 55 172.453 172.453 173.658 -1.205 18081 12721 1 20 . 1 1 55 55 VAL CA C 55 56.739 56.739 59.317 -2.578 18081 12722 1 20 . 1 1 55 55 VAL CB C 55 33.972 33.972 33.218 0.755 18081 12723 1 20 . 1 1 55 55 VAL H H 55 8.492 8.492 8.571 -0.079 18081 12724 1 20 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.726 -0.059 18081 12725 1 20 . 1 1 56 56 PRO C C 56 177.445 177.445 177.222 0.223 18081 12726 1 20 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.056 -0.378 18081 12727 1 20 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.567 0.428 18081 12728 1 20 . 1 1 57 57 GLN N N 57 122.020 122.020 124.792 -2.772 18081 12729 1 20 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.070 -0.180 18081 12730 1 20 . 1 1 57 57 GLN C C 57 176.735 176.735 176.628 0.107 18081 12731 1 20 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.082 0.790 18081 12732 1 20 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.887 -1.045 18081 12733 1 20 . 1 1 57 57 GLN H H 57 8.466 8.466 7.945 0.521 18081 12734 1 20 . 1 1 58 58 GLY N N 58 112.805 112.805 111.210 1.595 18081 12735 1 20 . 1 1 58 58 GLY C C 58 172.686 172.686 173.382 -0.696 18081 12736 1 20 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.039 1.333 18081 12737 1 20 . 1 1 58 58 GLY H H 58 8.713 8.713 8.707 0.006 18081 12738 1 20 . 1 1 59 59 ALA N N 59 122.839 122.839 125.298 -2.459 18081 12739 1 20 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.540 0.011 18081 12740 1 20 . 1 1 59 59 ALA C C 59 176.659 176.659 176.125 0.534 18081 12741 1 20 . 1 1 59 59 ALA CA C 59 50.732 50.732 51.176 -0.444 18081 12742 1 20 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.241 -0.517 18081 12743 1 20 . 1 1 59 59 ALA H H 59 6.982 6.982 7.341 -0.359 18081 12744 1 20 . 1 1 60 60 GLU N N 60 123.390 123.390 119.118 4.272 18081 12745 1 20 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.295 0.012 18081 12746 1 20 . 1 1 60 60 GLU C C 60 173.876 173.876 175.524 -1.648 18081 12747 1 20 . 1 1 60 60 GLU CA C 60 56.828 56.828 57.074 -0.246 18081 12748 1 20 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.757 -0.443 18081 12749 1 20 . 1 1 60 60 GLU H H 60 8.260 8.260 8.103 0.157 18081 12750 1 20 . 1 1 61 61 ILE N N 61 130.883 130.883 121.877 9.006 18081 12751 1 20 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.540 0.282 18081 12752 1 20 . 1 1 61 61 ILE C C 61 175.267 175.267 175.159 0.108 18081 12753 1 20 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.701 -1.278 18081 12754 1 20 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.197 -3.445 18081 12755 1 20 . 1 1 61 61 ILE H H 61 9.103 9.103 8.300 0.803 18081 12756 1 20 . 1 1 62 62 VAL N N 62 127.879 127.879 123.981 3.898 18081 12757 1 20 . 1 1 62 62 VAL HA H 62 4.348 4.348 5.072 -0.724 18081 12758 1 20 . 1 1 62 62 VAL C C 62 175.598 175.598 175.726 -0.128 18081 12759 1 20 . 1 1 62 62 VAL CA C 62 60.743 60.743 58.891 1.852 18081 12760 1 20 . 1 1 62 62 VAL CB C 62 31.204 31.204 30.343 0.861 18081 12761 1 20 . 1 1 62 62 VAL H H 62 8.992 8.992 8.091 0.901 18081 12762 1 20 . 1 1 63 63 PHE N N 63 125.354 125.354 128.600 -3.246 18081 12763 1 20 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.520 0.473 18081 12764 1 20 . 1 1 63 63 PHE C C 63 175.507 175.507 175.412 0.095 18081 12765 1 20 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.642 -1.835 18081 12766 1 20 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.935 -0.327 18081 12767 1 20 . 1 1 63 63 PHE H H 63 9.521 9.521 8.839 0.682 18081 12768 1 20 . 1 1 64 64 LYS N N 64 123.471 123.471 121.622 1.849 18081 12769 1 20 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.420 -0.327 18081 12770 1 20 . 1 1 64 64 LYS C C 64 175.877 175.877 175.822 0.055 18081 12771 1 20 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.314 -0.933 18081 12772 1 20 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.231 -1.162 18081 12773 1 20 . 1 1 64 64 LYS H H 64 8.977 8.977 8.548 0.429 18081 12774 1 20 . 1 1 65 65 ILE N N 65 125.792 125.792 126.202 -0.410 18081 12775 1 20 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.292 0.511 18081 12776 1 20 . 1 1 65 65 ILE C C 65 175.724 175.724 175.198 0.526 18081 12777 1 20 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.233 -0.469 18081 12778 1 20 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.771 0.617 18081 12779 1 20 . 1 1 65 65 ILE H H 65 9.390 9.390 8.448 0.942 18081 12780 1 20 . 1 1 66 66 THR N N 66 119.455 119.455 119.508 -0.053 18081 12781 1 20 . 1 1 66 66 THR HA H 66 4.583 4.583 4.560 0.023 18081 12782 1 20 . 1 1 66 66 THR C C 66 170.978 170.978 172.318 -1.340 18081 12783 1 20 . 1 1 66 66 THR CA C 66 61.233 61.233 61.084 0.149 18081 12784 1 20 . 1 1 66 66 THR CB C 66 70.456 70.456 69.354 1.102 18081 12785 1 20 . 1 1 66 66 THR H H 66 8.176 8.176 7.847 0.329 18081 12786 1 20 . 1 1 67 67 SER N N 67 115.523 115.523 122.036 -6.513 18081 12787 1 20 . 1 1 67 67 SER HA H 67 6.316 6.316 5.198 1.118 18081 12788 1 20 . 1 1 67 67 SER C C 67 174.516 174.516 172.787 1.729 18081 12789 1 20 . 1 1 67 67 SER CA C 67 51.222 51.222 55.700 -4.478 18081 12790 1 20 . 1 1 67 67 SER CB C 67 66.501 66.501 65.992 0.509 18081 12791 1 20 . 1 1 67 67 SER H H 67 7.190 7.190 8.586 -1.396 18081 12792 1 20 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.372 0.456 18081 12793 1 20 . 1 1 68 68 PRO C C 68 174.360 174.360 175.717 -1.357 18081 12794 1 20 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.767 -2.199 18081 12795 1 20 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.097 0.391 18081 12796 1 20 . 1 1 69 69 ASP N N 69 120.505 120.505 117.997 2.508 18081 12797 1 20 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.889 -0.141 18081 12798 1 20 . 1 1 69 69 ASP C C 69 173.775 173.775 174.376 -0.601 18081 12799 1 20 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.118 1.331 18081 12800 1 20 . 1 1 69 69 ASP CB C 69 41.981 41.981 40.748 1.233 18081 12801 1 20 . 1 1 69 69 ASP H H 69 8.594 8.594 8.308 0.286 18081 12802 1 20 . 1 1 70 70 VAL N N 70 120.074 120.074 114.645 5.429 18081 12803 1 20 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.384 0.190 18081 12804 1 20 . 1 1 70 70 VAL C C 70 174.866 174.866 173.901 0.965 18081 12805 1 20 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.258 -1.027 18081 12806 1 20 . 1 1 70 70 VAL CB C 70 35.060 35.060 35.202 -0.142 18081 12807 1 20 . 1 1 70 70 VAL H H 70 10.855 10.855 7.737 3.118 18081 12808 1 20 . 1 1 71 71 ILE N N 71 121.272 121.272 121.643 -0.371 18081 12809 1 20 . 1 1 71 71 ILE HA H 71 4.438 4.438 3.757 0.681 18081 12810 1 20 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.835 1.599 18081 12811 1 20 . 1 1 71 71 ILE CB C 71 38.521 38.521 37.740 0.781 18081 12812 1 20 . 1 1 71 71 ILE H H 71 7.670 7.670 8.597 -0.927 18081 12813 1 20 . 1 1 73 73 GLY C C 73 172.580 172.580 172.912 -0.332 18081 12814 1 20 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.147 0.267 18081 12815 1 20 . 1 1 74 74 PHE N N 74 123.714 123.714 118.086 5.628 18081 12816 1 20 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.890 -0.605 18081 12817 1 20 . 1 1 74 74 PHE C C 74 171.502 171.502 173.922 -2.420 18081 12818 1 20 . 1 1 74 74 PHE CA C 74 58.697 58.697 54.896 3.801 18081 12819 1 20 . 1 1 74 74 PHE CB C 74 40.795 40.795 40.794 0.001 18081 12820 1 20 . 1 1 74 74 PHE H H 74 8.712 8.712 7.177 1.535 18081 12821 1 20 . 1 1 75 75 HIS N N 75 124.835 124.835 120.773 4.062 18081 12822 1 20 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.774 0.684 18081 12823 1 20 . 1 1 75 75 HIS C C 75 172.817 172.817 174.475 -1.658 18081 12824 1 20 . 1 1 75 75 HIS CA C 75 52.423 52.423 55.808 -3.385 18081 12825 1 20 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.601 -2.078 18081 12826 1 20 . 1 1 75 75 HIS H H 75 7.786 7.786 8.746 -0.960 18081 12827 1 20 . 1 1 76 76 VAL N N 76 124.569 124.569 125.122 -0.553 18081 12828 1 20 . 1 1 76 76 VAL HA H 76 4.293 4.293 4.146 0.147 18081 12829 1 20 . 1 1 76 76 VAL C C 76 175.843 175.843 174.570 1.273 18081 12830 1 20 . 1 1 76 76 VAL CA C 76 60.699 60.699 61.019 -0.320 18081 12831 1 20 . 1 1 76 76 VAL CB C 76 30.368 30.368 35.495 -5.127 18081 12832 1 20 . 1 1 76 76 VAL H H 76 6.558 6.558 8.092 -1.534 18081 12833 1 20 . 1 1 77 77 GLU N N 77 132.091 132.091 123.413 8.678 18081 12834 1 20 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.061 -0.172 18081 12835 1 20 . 1 1 77 77 GLU C C 77 176.941 176.941 177.654 -0.713 18081 12836 1 20 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.078 1.619 18081 12837 1 20 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.421 -0.205 18081 12838 1 20 . 1 1 77 77 GLU H H 77 8.977 8.977 8.294 0.683 18081 12839 1 20 . 1 1 78 78 GLY N N 78 111.143 111.143 106.959 4.184 18081 12840 1 20 . 1 1 78 78 GLY C C 78 174.152 174.152 174.002 0.150 18081 12841 1 20 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.773 -0.513 18081 12842 1 20 . 1 1 78 78 GLY H H 78 8.052 8.052 8.681 -0.629 18081 12843 1 20 . 1 1 79 79 THR N N 79 109.705 109.705 115.696 -5.991 18081 12844 1 20 . 1 1 79 79 THR HA H 79 4.949 4.949 4.473 0.476 18081 12845 1 20 . 1 1 79 79 THR C C 79 173.397 173.397 173.067 0.330 18081 12846 1 20 . 1 1 79 79 THR CA C 79 60.076 60.076 60.575 -0.499 18081 12847 1 20 . 1 1 79 79 THR CB C 79 72.829 72.829 71.137 1.692 18081 12848 1 20 . 1 1 79 79 THR H H 79 7.810 7.810 7.545 0.265 18081 12849 1 20 . 1 1 80 80 ASN N N 80 116.427 116.427 120.294 -3.867 18081 12850 1 20 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.667 0.253 18081 12851 1 20 . 1 1 80 80 ASN C C 80 175.665 175.665 174.387 1.278 18081 12852 1 20 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.038 -1.015 18081 12853 1 20 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.590 -0.058 18081 12854 1 20 . 1 1 80 80 ASN H H 80 7.856 7.856 8.672 -0.816 18081 12855 1 20 . 1 1 81 81 ILE N N 81 121.552 121.552 122.132 -0.580 18081 12856 1 20 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.819 -0.022 18081 12857 1 20 . 1 1 81 81 ILE C C 81 176.564 176.564 174.610 1.954 18081 12858 1 20 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.490 1.033 18081 12859 1 20 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.099 0.002 18081 12860 1 20 . 1 1 81 81 ILE H H 81 8.493 8.493 7.389 1.104 18081 12861 1 20 . 1 1 82 82 ASN N N 82 131.507 131.507 128.699 2.808 18081 12862 1 20 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.881 0.270 18081 12863 1 20 . 1 1 82 82 ASN C C 82 173.025 173.025 174.151 -1.126 18081 12864 1 20 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.689 2.578 18081 12865 1 20 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.084 0.722 18081 12866 1 20 . 1 1 82 82 ASN H H 82 8.911 8.911 8.266 0.645 18081 12867 1 20 . 1 1 83 83 VAL N N 83 120.866 120.866 118.046 2.820 18081 12868 1 20 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.451 0.214 18081 12869 1 20 . 1 1 83 83 VAL C C 83 173.954 173.954 174.084 -0.130 18081 12870 1 20 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.319 -1.199 18081 12871 1 20 . 1 1 83 83 VAL CB C 83 35.653 35.653 33.669 1.984 18081 12872 1 20 . 1 1 83 83 VAL H H 83 8.356 8.356 8.114 0.242 18081 12873 1 20 . 1 1 84 84 GLU N N 84 125.997 125.997 126.088 -0.091 18081 12874 1 20 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.483 0.104 18081 12875 1 20 . 1 1 84 84 GLU C C 84 174.600 174.600 174.660 -0.060 18081 12876 1 20 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.551 -0.524 18081 12877 1 20 . 1 1 84 84 GLU CB C 84 30.809 30.809 32.068 -1.258 18081 12878 1 20 . 1 1 84 84 GLU H H 84 8.534 8.534 8.401 0.133 18081 12879 1 20 . 1 1 85 85 VAL N N 85 125.888 125.888 125.074 0.814 18081 12880 1 20 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.406 -0.357 18081 12881 1 20 . 1 1 85 85 VAL C C 85 173.256 173.256 174.831 -1.575 18081 12882 1 20 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.774 0.743 18081 12883 1 20 . 1 1 85 85 VAL CB C 85 32.786 32.786 35.731 -2.945 18081 12884 1 20 . 1 1 85 85 VAL H H 85 8.782 8.782 8.581 0.201 18081 12885 1 20 . 1 1 86 86 LEU N N 86 128.745 128.745 121.802 6.943 18081 12886 1 20 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.572 0.229 18081 12887 1 20 . 1 1 86 86 LEU CA C 86 51.934 51.934 52.888 -0.954 18081 12888 1 20 . 1 1 86 86 LEU CB C 86 42.410 42.410 40.846 1.564 18081 12889 1 20 . 1 1 86 86 LEU H H 86 9.131 9.131 8.211 0.920 18081 12890 1 20 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.430 0.234 18081 12891 1 20 . 1 1 87 87 PRO C C 87 178.454 178.454 177.690 0.764 18081 12892 1 20 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.132 -0.520 18081 12893 1 20 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.194 -0.989 18081 12894 1 20 . 1 1 88 88 GLY N N 88 112.804 112.804 108.156 4.648 18081 12895 1 20 . 1 1 88 88 GLY C C 88 173.451 173.451 173.285 0.166 18081 12896 1 20 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.104 -0.022 18081 12897 1 20 . 1 1 88 88 GLY H H 88 9.103 9.103 8.623 0.480 18081 12898 1 20 . 1 1 89 89 GLU N N 89 118.355 118.355 117.509 0.846 18081 12899 1 20 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.668 0.432 18081 12900 1 20 . 1 1 89 89 GLU C C 89 176.719 176.719 173.884 2.835 18081 12901 1 20 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.861 -0.614 18081 12902 1 20 . 1 1 89 89 GLU CB C 89 32.863 32.863 34.349 -1.486 18081 12903 1 20 . 1 1 89 89 GLU H H 89 7.764 7.764 7.515 0.249 18081 12904 1 20 . 1 1 90 90 VAL N N 90 127.142 127.142 122.469 4.673 18081 12905 1 20 . 1 1 90 90 VAL HA H 90 4.500 4.500 5.245 -0.745 18081 12906 1 20 . 1 1 90 90 VAL C C 90 176.838 176.838 174.732 2.106 18081 12907 1 20 . 1 1 90 90 VAL CA C 90 61.856 61.856 59.915 1.941 18081 12908 1 20 . 1 1 90 90 VAL CB C 90 33.138 33.138 33.366 -0.228 18081 12909 1 20 . 1 1 90 90 VAL H H 90 8.830 8.830 8.619 0.211 18081 12910 1 20 . 1 1 91 91 SER N N 91 127.859 127.859 124.545 3.314 18081 12911 1 20 . 1 1 91 91 SER HA H 91 4.924 4.924 4.687 0.237 18081 12912 1 20 . 1 1 91 91 SER C C 91 173.015 173.015 173.910 -0.895 18081 12913 1 20 . 1 1 91 91 SER CA C 91 58.118 58.118 58.584 -0.466 18081 12914 1 20 . 1 1 91 91 SER CB C 91 63.931 63.931 64.595 -0.664 18081 12915 1 20 . 1 1 91 91 SER H H 91 9.710 9.710 8.444 1.266 18081 12916 1 20 . 1 1 92 92 THR N N 92 122.627 122.627 119.883 2.744 18081 12917 1 20 . 1 1 92 92 THR HA H 92 5.682 5.682 5.300 0.382 18081 12918 1 20 . 1 1 92 92 THR C C 92 174.480 174.480 173.921 0.559 18081 12919 1 20 . 1 1 92 92 THR CA C 92 61.856 61.856 61.413 0.443 18081 12920 1 20 . 1 1 92 92 THR CB C 92 70.160 70.160 70.130 0.030 18081 12921 1 20 . 1 1 92 92 THR H H 92 8.864 8.864 8.245 0.619 18081 12922 1 20 . 1 1 93 93 VAL N N 93 126.698 126.698 126.541 0.157 18081 12923 1 20 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.398 0.109 18081 12924 1 20 . 1 1 93 93 VAL C C 93 173.002 173.002 175.143 -2.141 18081 12925 1 20 . 1 1 93 93 VAL CA C 93 60.654 60.654 61.700 -1.046 18081 12926 1 20 . 1 1 93 93 VAL CB C 93 35.653 35.653 33.542 2.111 18081 12927 1 20 . 1 1 93 93 VAL H H 93 8.806 8.806 8.434 0.372 18081 12928 1 20 . 1 1 94 94 ARG N N 94 126.396 126.396 127.101 -0.705 18081 12929 1 20 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.432 0.458 18081 12930 1 20 . 1 1 94 94 ARG C C 94 175.885 175.885 175.462 0.423 18081 12931 1 20 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.836 -0.455 18081 12932 1 20 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.014 2.574 18081 12933 1 20 . 1 1 94 94 ARG H H 94 8.630 8.630 8.817 -0.187 18081 12934 1 20 . 1 1 95 95 TYR N N 95 126.390 126.390 126.748 -0.358 18081 12935 1 20 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.760 -0.440 18081 12936 1 20 . 1 1 95 95 TYR C C 95 172.683 172.683 173.866 -1.183 18081 12937 1 20 . 1 1 95 95 TYR CA C 95 59.586 59.586 58.126 1.460 18081 12938 1 20 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.644 3.809 18081 12939 1 20 . 1 1 95 95 TYR H H 95 9.623 9.623 8.168 1.455 18081 12940 1 20 . 1 1 96 96 THR N N 96 121.396 121.396 121.792 -0.396 18081 12941 1 20 . 1 1 96 96 THR HA H 96 4.684 4.684 4.652 0.032 18081 12942 1 20 . 1 1 96 96 THR C C 96 172.729 172.729 173.351 -0.622 18081 12943 1 20 . 1 1 96 96 THR CA C 96 61.322 61.322 60.946 0.376 18081 12944 1 20 . 1 1 96 96 THR CB C 96 70.160 70.160 70.912 -0.752 18081 12945 1 20 . 1 1 96 96 THR H H 96 6.742 6.742 7.803 -1.061 18081 12946 1 20 . 1 1 97 97 PHE N N 97 126.539 126.539 125.166 1.373 18081 12947 1 20 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.481 -0.028 18081 12948 1 20 . 1 1 97 97 PHE C C 97 176.075 176.075 176.163 -0.088 18081 12949 1 20 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.948 0.259 18081 12950 1 20 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.273 -1.365 18081 12951 1 20 . 1 1 97 97 PHE H H 97 8.933 8.933 8.668 0.265 18081 12952 1 20 . 1 1 98 98 LYS N N 98 123.417 123.417 119.111 4.306 18081 12953 1 20 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.346 0.047 18081 12954 1 20 . 1 1 98 98 LYS C C 98 175.939 175.939 175.819 0.120 18081 12955 1 20 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.312 0.471 18081 12956 1 20 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.508 -0.524 18081 12957 1 20 . 1 1 98 98 LYS H H 98 8.604 8.604 8.592 0.012 18081 12958 1 20 . 1 1 99 99 ARG N N 99 118.424 118.424 119.214 -0.790 18081 12959 1 20 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.714 0.306 18081 12960 1 20 . 1 1 99 99 ARG C C 99 174.332 174.332 173.529 0.803 18081 12961 1 20 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.863 -1.262 18081 12962 1 20 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.977 -0.377 18081 12963 1 20 . 1 1 99 99 ARG H H 99 7.801 7.801 7.956 -0.155 18081 12964 1 20 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.281 0.102 18081 12965 1 20 . 1 1 100 100 PRO C C 100 175.190 175.190 176.440 -1.250 18081 12966 1 20 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.641 -0.073 18081 12967 1 20 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.300 0.288 18081 12968 1 20 . 1 1 101 101 GLY N N 101 108.626 108.626 108.410 0.216 18081 12969 1 20 . 1 1 101 101 GLY C C 101 171.375 171.375 172.196 -0.821 18081 12970 1 20 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.833 -0.730 18081 12971 1 20 . 1 1 101 101 GLY H H 101 8.685 8.685 7.685 1.000 18081 12972 1 20 . 1 1 102 102 GLU N N 102 119.327 119.327 124.304 -4.977 18081 12973 1 20 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.663 0.488 18081 12974 1 20 . 1 1 102 102 GLU C C 102 176.066 176.066 175.605 0.461 18081 12975 1 20 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.467 -0.063 18081 12976 1 20 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.807 -0.603 18081 12977 1 20 . 1 1 102 102 GLU H H 102 8.144 8.144 8.365 -0.221 18081 12978 1 20 . 1 1 103 103 TYR N N 103 125.807 125.807 120.277 5.530 18081 12979 1 20 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.930 -0.284 18081 12980 1 20 . 1 1 103 103 TYR C C 103 174.711 174.711 174.004 0.707 18081 12981 1 20 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.290 0.048 18081 12982 1 20 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.865 -0.676 18081 12983 1 20 . 1 1 103 103 TYR H H 103 9.687 9.687 8.596 1.091 18081 12984 1 20 . 1 1 104 104 ARG N N 104 124.463 124.463 122.531 1.932 18081 12985 1 20 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.899 -0.272 18081 12986 1 20 . 1 1 104 104 ARG C C 104 174.570 174.570 174.669 -0.099 18081 12987 1 20 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.631 1.134 18081 12988 1 20 . 1 1 104 104 ARG CB C 104 31.698 31.698 30.154 1.544 18081 12989 1 20 . 1 1 104 104 ARG H H 104 8.902 8.902 8.776 0.126 18081 12990 1 20 . 1 1 105 105 ILE N N 105 124.589 124.589 120.001 4.588 18081 12991 1 20 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.769 -0.400 18081 12992 1 20 . 1 1 105 105 ILE C C 105 175.576 175.576 173.558 2.018 18081 12993 1 20 . 1 1 105 105 ILE CA C 105 59.935 59.935 60.249 -0.314 18081 12994 1 20 . 1 1 105 105 ILE CB C 105 39.811 39.811 42.736 -2.925 18081 12995 1 20 . 1 1 105 105 ILE H H 105 8.289 8.289 7.997 0.292 18081 12996 1 20 . 1 1 106 106 ILE N N 106 121.777 121.777 125.452 -3.675 18081 12997 1 20 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.608 0.430 18081 12998 1 20 . 1 1 106 106 ILE CA C 106 59.223 59.223 59.415 -0.192 18081 12999 1 20 . 1 1 106 106 ILE CB C 106 42.475 42.475 40.638 1.837 18081 13000 1 20 . 1 1 106 106 ILE H H 106 8.765 8.765 8.553 0.212 18081 13001 1 20 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.445 -0.323 18081 13002 1 20 . 1 1 109 109 GLN C C 109 175.724 175.724 176.037 -0.313 18081 13003 1 20 . 1 1 109 109 GLN CA C 109 56.472 56.472 55.104 1.368 18081 13004 1 20 . 1 1 109 109 GLN CB C 109 29.128 29.128 27.701 1.427 18081 13005 1 20 . 1 1 110 110 TYR N N 110 120.856 120.856 120.746 0.110 18081 13006 1 20 . 1 1 110 110 TYR HA H 110 4.489 4.489 3.955 0.534 18081 13007 1 20 . 1 1 110 110 TYR CA C 110 57.985 57.985 61.569 -3.584 18081 13008 1 20 . 1 1 110 110 TYR CB C 110 37.927 37.927 36.751 1.176 18081 13009 1 20 . 1 1 110 110 TYR H H 110 8.191 8.191 8.192 -0.001 18081 13010 1 20 . 1 1 111 111 CYS N N 111 120.561 120.561 119.821 0.740 18081 13011 1 20 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.237 0.146 18081 13012 1 20 . 1 1 111 111 CYS C C 111 174.692 174.692 175.368 -0.676 18081 13013 1 20 . 1 1 111 111 CYS CA C 111 58.617 58.617 61.196 -2.579 18081 13014 1 20 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.532 -0.556 18081 13015 1 20 . 1 1 111 111 CYS H H 111 8.166 8.166 8.449 -0.283 18081 13016 1 20 . 1 1 112 112 GLY N N 112 111.467 111.467 107.738 3.729 18081 13017 1 20 . 1 1 112 112 GLY C C 112 173.900 173.900 173.185 0.715 18081 13018 1 20 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.399 0.746 18081 13019 1 20 . 1 1 112 112 GLY H H 112 8.239 8.239 7.699 0.540 18081 13020 1 20 . 1 1 113 113 LEU N N 113 122.150 122.150 123.161 -1.011 18081 13021 1 20 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.151 0.173 18081 13022 1 20 . 1 1 113 113 LEU C C 113 178.068 178.068 176.468 1.600 18081 13023 1 20 . 1 1 113 113 LEU CA C 113 55.718 55.718 56.028 -0.310 18081 13024 1 20 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.457 -0.378 18081 13025 1 20 . 1 1 113 113 LEU H H 113 8.179 8.179 8.246 -0.067 18081 13026 1 20 . 1 1 114 114 GLY N N 114 109.278 109.278 112.454 -3.176 18081 13027 1 20 . 1 1 114 114 GLY C C 114 174.142 174.142 173.030 1.112 18081 13028 1 20 . 1 1 114 114 GLY CA C 114 45.349 45.349 44.276 1.073 18081 13029 1 20 . 1 1 114 114 GLY H H 114 8.393 8.393 8.355 0.038 18081 13030 1 20 . 1 1 117 117 ASN N N 117 120.387 120.387 116.048 4.339 18081 13031 1 20 . 1 1 117 117 ASN HA H 117 4.678 4.678 5.040 -0.362 18081 13032 1 20 . 1 1 117 117 ASN C C 117 174.422 174.422 175.477 -1.055 18081 13033 1 20 . 1 1 117 117 ASN CA C 117 53.179 53.179 52.906 0.274 18081 13034 1 20 . 1 1 117 117 ASN CB C 117 39.015 39.015 39.626 -0.611 18081 13035 1 20 . 1 1 117 117 ASN H H 117 8.522 8.522 7.961 0.561 18081 13036 1 20 . 1 1 118 118 MET N N 118 120.526 120.526 123.794 -3.268 18081 13037 1 20 . 1 1 118 118 MET C C 118 173.321 173.321 176.210 -2.889 18081 13038 1 20 . 1 1 118 118 MET CA C 118 55.360 55.360 55.441 -0.081 18081 13039 1 20 . 1 1 118 118 MET CB C 118 34.467 34.467 33.814 0.653 18081 13040 1 20 . 1 1 118 118 MET H H 118 7.981 7.981 8.412 -0.431 18081 13041 1 20 . 1 1 119 119 PHE N N 119 119.704 119.704 118.702 1.002 18081 13042 1 20 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.667 1.155 18081 13043 1 20 . 1 1 119 119 PHE C C 119 174.894 174.894 177.253 -2.359 18081 13044 1 20 . 1 1 119 119 PHE CA C 119 56.116 56.116 58.011 -1.895 18081 13045 1 20 . 1 1 119 119 PHE CB C 119 42.377 42.377 40.447 1.930 18081 13046 1 20 . 1 1 119 119 PHE H H 119 8.068 8.068 8.574 -0.506 18081 13047 1 20 . 1 1 120 120 GLY N N 120 109.869 109.869 110.233 -0.364 18081 13048 1 20 . 1 1 120 120 GLY C C 120 172.817 172.817 174.025 -1.208 18081 13049 1 20 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.976 -0.695 18081 13050 1 20 . 1 1 120 120 GLY H H 120 8.984 8.984 8.825 0.159 18081 13051 1 20 . 1 1 121 121 THR N N 121 115.820 115.820 119.663 -3.843 18081 13052 1 20 . 1 1 121 121 THR HA H 121 5.068 5.068 4.511 0.557 18081 13053 1 20 . 1 1 121 121 THR C C 121 173.062 173.062 173.928 -0.866 18081 13054 1 20 . 1 1 121 121 THR CA C 121 62.745 62.745 63.976 -1.231 18081 13055 1 20 . 1 1 121 121 THR CB C 121 72.533 72.533 68.996 3.537 18081 13056 1 20 . 1 1 121 121 THR H H 121 8.123 8.123 8.187 -0.064 18081 13057 1 20 . 1 1 122 122 ILE N N 122 127.420 127.420 128.203 -0.783 18081 13058 1 20 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.355 0.480 18081 13059 1 20 . 1 1 122 122 ILE C C 122 174.260 174.260 173.048 1.212 18081 13060 1 20 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.936 -0.860 18081 13061 1 20 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.855 -2.456 18081 13062 1 20 . 1 1 122 122 ILE H H 122 9.152 9.152 9.165 -0.013 18081 13063 1 20 . 1 1 123 123 VAL N N 123 130.032 130.032 125.457 4.575 18081 13064 1 20 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.266 0.113 18081 13065 1 20 . 1 1 123 123 VAL C C 123 174.012 174.012 173.234 0.778 18081 13066 1 20 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.668 2.143 18081 13067 1 20 . 1 1 123 123 VAL CB C 123 33.280 33.280 34.839 -1.559 18081 13068 1 20 . 1 1 123 123 VAL H H 123 9.601 9.601 8.800 0.801 18081 13069 1 20 . 1 1 124 124 VAL N N 124 128.765 128.765 130.098 -1.333 18081 13070 1 20 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.526 0.173 18081 13071 1 20 . 1 1 124 124 VAL C C 124 177.239 177.239 175.389 1.850 18081 13072 1 20 . 1 1 124 124 VAL CA C 124 60.565 60.565 60.686 -0.121 18081 13073 1 20 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.585 -1.282 18081 13074 1 20 . 1 1 124 124 VAL H H 124 9.056 9.056 7.683 1.373 18081 13075 1 20 . 1 1 125 125 LYS N N 125 129.953 129.953 128.457 1.496 18081 13076 1 20 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.559 -0.218 18081 13077 1 20 . 1 1 125 125 LYS C C 125 175.317 175.317 175.771 -0.454 18081 13078 1 20 . 1 1 125 125 LYS CA C 125 55.449 55.449 54.147 1.302 18081 13079 1 20 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.763 0.814 18081 13080 1 20 . 1 1 125 125 LYS H H 125 8.854 8.854 8.631 0.223 18081 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 126 3.275 -1.218 3.052 18081 2 1 1 "Average Difference" HA 126 0.426 -0.157 0.397 18081 3 1 1 "Average Difference" C 112 1.190 0.096 1.191 18081 4 1 1 "Average Difference" CA 119 1.308 0.196 1.298 18081 5 1 1 "Average Difference" CB 107 1.580 -0.056 1.587 18081 6 1 1 "Average Difference" HN 126 0.766 -0.258 0.724 18081 7 1 2 "Average Difference" N 126 3.938 -1.186 3.770 18081 8 1 2 "Average Difference" HA 126 0.425 -0.135 0.405 18081 9 1 2 "Average Difference" C 112 1.144 0.057 1.148 18081 10 1 2 "Average Difference" CA 119 1.331 0.111 1.332 18081 11 1 2 "Average Difference" CB 107 1.565 -0.134 1.566 18081 12 1 2 "Average Difference" HN 126 0.764 -0.234 0.731 18081 13 1 3 "Average Difference" N 126 3.787 -0.869 3.701 18081 14 1 3 "Average Difference" HA 126 0.434 -0.149 0.409 18081 15 1 3 "Average Difference" C 112 1.172 0.062 1.176 18081 16 1 3 "Average Difference" CA 119 1.312 0.196 1.303 18081 17 1 3 "Average Difference" CB 107 1.561 -0.170 1.559 18081 18 1 3 "Average Difference" HN 126 0.733 -0.218 0.702 18081 19 1 4 "Average Difference" N 126 4.013 -1.598 3.695 18081 20 1 4 "Average Difference" HA 126 0.429 -0.130 0.411 18081 21 1 4 "Average Difference" C 112 1.203 0.069 1.206 18081 22 1 4 "Average Difference" CA 119 1.419 0.084 1.422 18081 23 1 4 "Average Difference" CB 107 1.647 -0.011 1.655 18081 24 1 4 "Average Difference" HN 126 0.770 -0.258 0.728 18081 25 1 5 "Average Difference" N 126 3.547 -1.537 3.210 18081 26 1 5 "Average Difference" HA 126 0.432 -0.105 0.421 18081 27 1 5 "Average Difference" C 112 1.211 0.082 1.214 18081 28 1 5 "Average Difference" CA 119 1.407 0.105 1.409 18081 29 1 5 "Average Difference" CB 107 1.392 0.002 1.398 18081 30 1 5 "Average Difference" HN 126 0.741 -0.216 0.711 18081 31 1 6 "Average Difference" N 126 3.903 -1.544 3.599 18081 32 1 6 "Average Difference" HA 126 0.441 -0.137 0.421 18081 33 1 6 "Average Difference" C 112 1.272 0.042 1.277 18081 34 1 6 "Average Difference" CA 119 1.354 0.148 1.352 18081 35 1 6 "Average Difference" CB 107 1.514 -0.130 1.515 18081 36 1 6 "Average Difference" HN 126 0.759 -0.256 0.718 18081 37 1 7 "Average Difference" N 126 3.590 -1.148 3.415 18081 38 1 7 "Average Difference" HA 126 0.426 -0.133 0.406 18081 39 1 7 "Average Difference" C 112 1.269 0.067 1.272 18081 40 1 7 "Average Difference" CA 119 1.323 0.095 1.326 18081 41 1 7 "Average Difference" CB 107 1.563 0.010 1.570 18081 42 1 7 "Average Difference" HN 126 0.754 -0.251 0.713 18081 43 1 8 "Average Difference" N 126 3.897 -1.397 3.653 18081 44 1 8 "Average Difference" HA 126 0.464 -0.128 0.448 18081 45 1 8 "Average Difference" C 112 1.228 0.033 1.233 18081 46 1 8 "Average Difference" CA 119 1.394 0.122 1.394 18081 47 1 8 "Average Difference" CB 107 1.549 -0.020 1.557 18081 48 1 8 "Average Difference" HN 126 0.775 -0.280 0.725 18081 49 1 9 "Average Difference" N 126 3.604 -1.656 3.214 18081 50 1 9 "Average Difference" HA 126 0.414 -0.140 0.391 18081 51 1 9 "Average Difference" C 112 1.157 0.088 1.159 18081 52 1 9 "Average Difference" CA 119 1.371 0.141 1.370 18081 53 1 9 "Average Difference" CB 107 1.563 -0.085 1.568 18081 54 1 9 "Average Difference" HN 126 0.795 -0.281 0.747 18081 55 1 10 "Average Difference" N 126 3.379 -1.160 3.186 18081 56 1 10 "Average Difference" HA 126 0.433 -0.126 0.416 18081 57 1 10 "Average Difference" C 112 1.255 0.080 1.258 18081 58 1 10 "Average Difference" CA 119 1.346 0.065 1.350 18081 59 1 10 "Average Difference" CB 107 1.555 -0.196 1.550 18081 60 1 10 "Average Difference" HN 126 0.780 -0.289 0.727 18081 61 1 11 "Average Difference" N 126 3.555 -1.418 3.273 18081 62 1 11 "Average Difference" HA 126 0.425 -0.141 0.403 18081 63 1 11 "Average Difference" C 112 1.220 0.128 1.219 18081 64 1 11 "Average Difference" CA 119 1.326 0.145 1.324 18081 65 1 11 "Average Difference" CB 107 1.426 -0.147 1.425 18081 66 1 11 "Average Difference" HN 126 0.723 -0.231 0.687 18081 67 1 12 "Average Difference" N 126 3.677 -1.668 3.290 18081 68 1 12 "Average Difference" HA 126 0.452 -0.149 0.428 18081 69 1 12 "Average Difference" C 112 1.177 -0.004 1.182 18081 70 1 12 "Average Difference" CA 119 1.382 0.203 1.373 18081 71 1 12 "Average Difference" CB 107 1.686 -0.032 1.694 18081 72 1 12 "Average Difference" HN 126 0.764 -0.242 0.727 18081 73 1 13 "Average Difference" N 126 3.648 -1.222 3.451 18081 74 1 13 "Average Difference" HA 126 0.446 -0.151 0.421 18081 75 1 13 "Average Difference" C 112 1.222 0.031 1.227 18081 76 1 13 "Average Difference" CA 119 1.381 0.055 1.386 18081 77 1 13 "Average Difference" CB 107 1.546 -0.017 1.553 18081 78 1 13 "Average Difference" HN 126 0.769 -0.247 0.731 18081 79 1 14 "Average Difference" N 126 3.587 -1.034 3.448 18081 80 1 14 "Average Difference" HA 126 0.402 -0.128 0.383 18081 81 1 14 "Average Difference" C 112 1.116 0.101 1.116 18081 82 1 14 "Average Difference" CA 119 1.352 0.130 1.351 18081 83 1 14 "Average Difference" CB 107 1.580 -0.108 1.583 18081 84 1 14 "Average Difference" HN 126 0.718 -0.220 0.686 18081 85 1 15 "Average Difference" N 126 4.053 -1.590 3.743 18081 86 1 15 "Average Difference" HA 126 0.444 -0.134 0.425 18081 87 1 15 "Average Difference" C 112 1.251 -0.051 1.255 18081 88 1 15 "Average Difference" CA 119 1.348 0.081 1.351 18081 89 1 15 "Average Difference" CB 107 1.576 -0.018 1.584 18081 90 1 15 "Average Difference" HN 126 0.719 -0.235 0.683 18081 91 1 16 "Average Difference" N 126 3.725 -1.137 3.561 18081 92 1 16 "Average Difference" HA 126 0.429 -0.134 0.409 18081 93 1 16 "Average Difference" C 112 1.201 0.097 1.203 18081 94 1 16 "Average Difference" CA 119 1.369 0.096 1.371 18081 95 1 16 "Average Difference" CB 107 1.575 -0.121 1.578 18081 96 1 16 "Average Difference" HN 126 0.726 -0.241 0.687 18081 97 1 17 "Average Difference" N 126 3.906 -1.443 3.644 18081 98 1 17 "Average Difference" HA 126 0.433 -0.141 0.411 18081 99 1 17 "Average Difference" C 112 1.162 0.063 1.166 18081 100 1 17 "Average Difference" CA 119 1.316 0.150 1.313 18081 101 1 17 "Average Difference" CB 107 1.502 -0.153 1.501 18081 102 1 17 "Average Difference" HN 126 0.744 -0.230 0.710 18081 103 1 18 "Average Difference" N 126 3.590 -1.172 3.407 18081 104 1 18 "Average Difference" HA 126 0.408 -0.098 0.398 18081 105 1 18 "Average Difference" C 112 1.252 0.025 1.258 18081 106 1 18 "Average Difference" CA 119 1.391 0.018 1.397 18081 107 1 18 "Average Difference" CB 107 1.568 -0.048 1.575 18081 108 1 18 "Average Difference" HN 126 0.747 -0.238 0.711 18081 109 1 19 "Average Difference" N 126 3.725 -1.465 3.438 18081 110 1 19 "Average Difference" HA 126 0.432 -0.138 0.411 18081 111 1 19 "Average Difference" C 112 1.195 0.138 1.193 18081 112 1 19 "Average Difference" CA 119 1.313 0.167 1.308 18081 113 1 19 "Average Difference" CB 107 1.592 -0.061 1.598 18081 114 1 19 "Average Difference" HN 126 0.749 -0.241 0.712 18081 115 1 20 "Average Difference" N 126 3.692 -1.074 3.546 18081 116 1 20 "Average Difference" HA 126 0.425 -0.118 0.410 18081 117 1 20 "Average Difference" C 112 1.249 0.093 1.251 18081 118 1 20 "Average Difference" CA 119 1.406 0.146 1.404 18081 119 1 20 "Average Difference" CB 107 1.599 -0.054 1.605 18081 120 1 20 "Average Difference" HN 126 0.745 -0.214 0.717 18081 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 18081 _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 VAL N N 2 252.363 252.363 243.123 9.240 18081 2 1 . 1 1 2 2 VAL HA H 2 4.026 4.026 4.168 -0.142 18081 3 1 . 1 1 2 2 VAL C C 2 176.484 176.484 174.573 1.911 18081 4 1 . 1 1 2 2 VAL CA C 2 62.568 62.568 62.514 0.054 18081 5 1 . 1 1 2 2 VAL CB C 2 32.391 32.391 31.476 0.915 18081 6 1 . 1 1 2 2 VAL H H 2 16.162 16.162 15.928 0.234 18081 7 1 . 1 1 3 3 ILE N N 3 251.712 251.712 241.140 10.572 18081 8 1 . 1 1 3 3 ILE HA H 3 4.495 4.495 4.699 -0.204 18081 9 1 . 1 1 3 3 ILE C C 3 174.606 174.606 174.597 0.009 18081 10 1 . 1 1 3 3 ILE CA C 3 58.385 58.385 58.704 -0.319 18081 11 1 . 1 1 3 3 ILE CB C 3 38.521 38.521 37.959 0.562 18081 12 1 . 1 1 3 3 ILE H H 3 16.145 16.145 15.780 0.365 18081 13 1 . 1 1 4 4 PRO HA H 4 4.373 4.373 4.577 -0.204 18081 14 1 . 1 1 4 4 PRO C C 4 176.585 176.585 175.916 0.669 18081 15 1 . 1 1 4 4 PRO CA C 4 63.190 63.190 62.708 0.482 18081 16 1 . 1 1 4 4 PRO CB C 4 31.964 31.964 32.518 -0.554 18081 17 1 . 1 1 5 5 ALA N N 5 250.563 250.563 243.498 7.065 18081 18 1 . 1 1 5 5 ALA HA H 5 4.287 4.287 4.424 -0.137 18081 19 1 . 1 1 5 5 ALA C C 5 178.454 178.454 177.396 1.058 18081 20 1 . 1 1 5 5 ALA CA C 5 52.735 52.735 52.373 0.362 18081 21 1 . 1 1 5 5 ALA CB C 5 19.043 19.043 19.621 -0.578 18081 22 1 . 1 1 5 5 ALA H H 5 16.835 16.835 16.636 0.199 18081 23 1 . 1 1 6 6 GLY N N 6 108.626 108.626 108.786 -0.160 18081 24 1 . 1 1 6 6 GLY C C 6 173.996 173.996 174.137 -0.141 18081 25 1 . 1 1 6 6 GLY CA C 6 45.171 45.171 45.422 -0.251 18081 26 1 . 1 1 6 6 GLY H H 6 8.378 8.378 8.352 0.026 18081 27 1 . 1 1 7 7 LYS N N 7 242.659 242.659 240.486 2.173 18081 28 1 . 1 1 7 7 LYS HA H 7 4.329 4.329 4.431 -0.102 18081 29 1 . 1 1 7 7 LYS C C 7 176.362 176.362 175.874 0.488 18081 30 1 . 1 1 7 7 LYS CA C 7 56.116 56.116 55.955 0.161 18081 31 1 . 1 1 7 7 LYS CB C 7 32.984 32.984 33.796 -0.812 18081 32 1 . 1 1 7 7 LYS H H 7 16.127 16.127 16.083 0.044 18081 33 1 . 1 1 8 8 LEU N N 8 248.875 248.875 236.451 12.424 18081 34 1 . 1 1 8 8 LEU HA H 8 4.391 4.391 4.188 0.203 18081 35 1 . 1 1 8 8 LEU C C 8 176.772 176.772 175.488 1.284 18081 36 1 . 1 1 8 8 LEU CA C 8 55.182 55.182 55.603 -0.421 18081 37 1 . 1 1 8 8 LEU CB C 8 42.475 42.475 42.184 0.291 18081 38 1 . 1 1 8 8 LEU H H 8 16.505 16.505 16.806 -0.301 18081 39 1 . 1 1 9 9 GLU N N 9 124.888 124.888 119.982 4.906 18081 40 1 . 1 1 9 9 GLU HA H 9 4.390 4.390 4.577 -0.187 18081 41 1 . 1 1 9 9 GLU C C 9 174.919 174.919 175.427 -0.508 18081 42 1 . 1 1 9 9 GLU CA C 9 56.472 56.472 55.396 1.076 18081 43 1 . 1 1 9 9 GLU CB C 9 30.611 30.611 32.148 -1.537 18081 44 1 . 1 1 9 9 GLU H H 9 8.679 8.679 8.578 0.101 18081 45 1 . 1 1 10 10 ARG N N 10 123.557 123.557 123.633 -0.076 18081 46 1 . 1 1 10 10 ARG HA H 10 4.972 4.972 4.509 0.464 18081 47 1 . 1 1 10 10 ARG C C 10 175.727 175.727 175.961 -0.234 18081 48 1 . 1 1 10 10 ARG CA C 10 55.085 55.085 55.819 -0.734 18081 49 1 . 1 1 10 10 ARG CB C 10 32.545 32.545 31.329 1.216 18081 50 1 . 1 1 10 10 ARG H H 10 8.248 8.248 8.583 -0.335 18081 51 1 . 1 1 11 11 VAL N N 11 118.077 118.077 118.562 -0.485 18081 52 1 . 1 1 11 11 VAL HA H 11 4.380 4.380 4.448 -0.068 18081 53 1 . 1 1 11 11 VAL C C 11 173.297 173.297 174.153 -0.856 18081 54 1 . 1 1 11 11 VAL CA C 11 59.586 59.586 59.809 -0.223 18081 55 1 . 1 1 11 11 VAL CB C 11 34.763 34.763 34.909 -0.146 18081 56 1 . 1 1 11 11 VAL H H 11 8.039 8.039 7.963 0.076 18081 57 1 . 1 1 12 12 ASP N N 12 123.786 123.786 116.828 6.958 18081 58 1 . 1 1 12 12 ASP HA H 12 4.951 4.951 5.009 -0.058 18081 59 1 . 1 1 12 12 ASP CA C 12 50.599 50.599 51.613 -1.014 18081 60 1 . 1 1 12 12 ASP CB C 12 41.388 41.388 43.062 -1.674 18081 61 1 . 1 1 12 12 ASP H H 12 8.313 8.313 8.153 0.160 18081 62 1 . 1 1 13 13 PRO C C 13 177.705 177.705 177.472 0.233 18081 63 1 . 1 1 13 13 PRO CA C 13 64.739 64.739 64.167 0.572 18081 64 1 . 1 1 13 13 PRO CB C 13 31.622 31.622 31.909 -0.287 18081 65 1 . 1 1 14 14 THR N N 14 109.188 109.188 115.063 -5.875 18081 66 1 . 1 1 14 14 THR HA H 14 4.252 4.252 4.053 0.199 18081 67 1 . 1 1 14 14 THR C C 14 176.733 176.733 175.461 1.272 18081 68 1 . 1 1 14 14 THR CA C 14 63.996 63.996 65.286 -1.290 18081 69 1 . 1 1 14 14 THR CB C 14 69.270 69.270 68.852 0.418 18081 70 1 . 1 1 14 14 THR H H 14 8.413 8.413 8.089 0.324 18081 71 1 . 1 1 15 15 THR N N 15 108.904 108.904 109.686 -0.782 18081 72 1 . 1 1 15 15 THR HA H 15 4.733 4.733 4.511 0.222 18081 73 1 . 1 1 15 15 THR C C 15 177.174 177.174 174.422 2.752 18081 74 1 . 1 1 15 15 THR CA C 15 61.589 61.589 61.504 0.085 18081 75 1 . 1 1 15 15 THR CB C 15 70.654 70.654 69.651 1.003 18081 76 1 . 1 1 15 15 THR H H 15 7.413 7.413 7.883 -0.470 18081 77 1 . 1 1 16 16 VAL N N 16 244.534 244.534 246.628 -2.094 18081 78 1 . 1 1 16 16 VAL HA H 16 4.198 4.198 3.857 0.341 18081 79 1 . 1 1 16 16 VAL C C 16 175.683 175.683 175.298 0.385 18081 80 1 . 1 1 16 16 VAL CA C 16 64.452 64.452 64.865 -0.413 18081 81 1 . 1 1 16 16 VAL CB C 16 31.501 31.501 32.106 -0.605 18081 82 1 . 1 1 16 16 VAL H H 16 14.227 14.227 14.767 -0.540 18081 83 1 . 1 1 17 17 ARG N N 17 115.917 115.917 115.552 0.365 18081 84 1 . 1 1 17 17 ARG HA H 17 4.271 4.271 4.379 -0.108 18081 85 1 . 1 1 17 17 ARG C C 17 175.861 175.861 178.107 -2.246 18081 86 1 . 1 1 17 17 ARG CA C 17 57.050 57.050 57.774 -0.724 18081 87 1 . 1 1 17 17 ARG CB C 17 30.026 30.026 29.937 0.089 18081 88 1 . 1 1 17 17 ARG H H 17 8.227 8.227 8.319 -0.092 18081 89 1 . 1 1 18 18 GLN N N 18 117.044 117.044 117.863 -0.819 18081 90 1 . 1 1 18 18 GLN HA H 18 4.399 4.399 4.343 0.056 18081 91 1 . 1 1 18 18 GLN C C 18 175.506 175.506 175.623 -0.117 18081 92 1 . 1 1 18 18 GLN CA C 18 57.139 57.139 57.267 -0.128 18081 93 1 . 1 1 18 18 GLN CB C 18 30.809 30.809 29.545 1.264 18081 94 1 . 1 1 18 18 GLN H H 18 7.765 7.765 8.019 -0.254 18081 95 1 . 1 1 19 19 GLU N N 19 118.659 118.659 118.781 -0.122 18081 96 1 . 1 1 19 19 GLU HA H 19 4.559 4.559 4.462 0.097 18081 97 1 . 1 1 19 19 GLU C C 19 175.081 175.081 175.042 0.039 18081 98 1 . 1 1 19 19 GLU CA C 19 55.182 55.182 55.740 -0.558 18081 99 1 . 1 1 19 19 GLU CB C 19 32.391 32.391 31.946 0.445 18081 100 1 . 1 1 19 19 GLU H H 19 8.070 8.070 8.025 0.045 18081 101 1 . 1 1 20 20 GLY N N 20 113.694 113.694 112.002 1.692 18081 102 1 . 1 1 20 20 GLY C C 20 174.150 174.150 172.476 1.674 18081 103 1 . 1 1 20 20 GLY CA C 20 44.548 44.548 44.718 -0.170 18081 104 1 . 1 1 20 20 GLY H H 20 8.933 8.933 8.132 0.801 18081 105 1 . 1 1 21 21 PRO HA H 21 3.673 3.673 4.180 -0.507 18081 106 1 . 1 1 21 21 PRO C C 21 176.703 176.703 176.704 -0.001 18081 107 1 . 1 1 21 21 PRO CA C 21 64.881 64.881 64.517 0.364 18081 108 1 . 1 1 21 21 PRO CB C 21 30.037 30.037 31.123 -1.086 18081 109 1 . 1 1 22 22 TRP N N 22 117.898 117.898 116.360 1.538 18081 110 1 . 1 1 22 22 TRP HA H 22 4.315 4.315 4.631 -0.316 18081 111 1 . 1 1 22 22 TRP C C 22 174.965 174.965 176.762 -1.797 18081 112 1 . 1 1 22 22 TRP CA C 22 60.521 60.521 57.952 2.569 18081 113 1 . 1 1 22 22 TRP CB C 22 29.271 29.271 28.658 0.612 18081 114 1 . 1 1 22 22 TRP H H 22 8.759 8.759 8.055 0.703 18081 115 1 . 1 1 23 23 ALA N N 23 120.887 120.887 121.817 -0.930 18081 116 1 . 1 1 23 23 ALA HA H 23 3.924 3.924 4.493 -0.569 18081 117 1 . 1 1 23 23 ALA C C 23 177.520 177.520 178.188 -0.668 18081 118 1 . 1 1 23 23 ALA CA C 23 54.781 54.781 53.289 1.492 18081 119 1 . 1 1 23 23 ALA CB C 23 18.548 18.548 19.494 -0.946 18081 120 1 . 1 1 23 23 ALA H H 23 7.232 7.232 7.189 0.043 18081 121 1 . 1 1 24 24 ASP N N 24 115.176 115.176 117.787 -2.611 18081 122 1 . 1 1 24 24 ASP HA H 24 5.186 5.186 5.084 0.102 18081 123 1 . 1 1 24 24 ASP C C 24 176.860 176.860 175.735 1.125 18081 124 1 . 1 1 24 24 ASP CA C 24 49.620 49.620 51.404 -1.784 18081 125 1 . 1 1 24 24 ASP CB C 24 41.487 41.487 42.397 -0.910 18081 126 1 . 1 1 24 24 ASP H H 24 7.718 7.718 7.542 0.176 18081 127 1 . 1 1 25 25 PRO HA H 25 4.299 4.299 4.382 -0.083 18081 128 1 . 1 1 25 25 PRO C C 25 177.445 177.445 177.433 0.012 18081 129 1 . 1 1 25 25 PRO CA C 25 64.481 64.481 64.641 -0.161 18081 130 1 . 1 1 25 25 PRO CB C 25 31.896 31.896 32.074 -0.177 18081 131 1 . 1 1 26 26 ALA N N 26 120.150 120.150 120.674 -0.524 18081 132 1 . 1 1 26 26 ALA HA H 26 4.305 4.305 4.250 0.055 18081 133 1 . 1 1 26 26 ALA C C 26 179.061 179.061 178.269 0.792 18081 134 1 . 1 1 26 26 ALA CA C 26 53.847 53.847 53.780 0.067 18081 135 1 . 1 1 26 26 ALA CB C 26 18.252 18.252 18.294 -0.042 18081 136 1 . 1 1 26 26 ALA H H 26 8.158 8.158 8.107 0.051 18081 137 1 . 1 1 27 27 GLN N N 27 117.617 117.617 116.231 1.386 18081 138 1 . 1 1 27 27 GLN HA H 27 4.695 4.695 4.394 0.301 18081 139 1 . 1 1 27 27 GLN C C 27 175.309 175.309 175.995 -0.686 18081 140 1 . 1 1 27 27 GLN CA C 27 54.258 54.258 55.001 -0.743 18081 141 1 . 1 1 27 27 GLN CB C 27 28.732 28.732 28.331 0.401 18081 142 1 . 1 1 27 27 GLN H H 27 7.732 7.732 7.560 0.172 18081 143 1 . 1 1 28 28 ALA N N 28 122.069 122.069 123.091 -1.022 18081 144 1 . 1 1 28 28 ALA HA H 28 4.381 4.381 4.265 0.116 18081 145 1 . 1 1 28 28 ALA C C 28 176.358 176.358 177.357 -0.999 18081 146 1 . 1 1 28 28 ALA CA C 28 55.582 55.582 54.426 1.156 18081 147 1 . 1 1 28 28 ALA CB C 28 20.921 20.921 19.359 1.562 18081 148 1 . 1 1 28 28 ALA H H 28 6.996 6.996 7.388 -0.392 18081 149 1 . 1 1 29 29 VAL N N 29 114.478 114.478 117.844 -3.366 18081 150 1 . 1 1 29 29 VAL HA H 29 4.707 4.707 4.506 0.201 18081 151 1 . 1 1 29 29 VAL C C 29 176.252 176.252 175.330 0.922 18081 152 1 . 1 1 29 29 VAL CA C 29 61.989 61.989 61.617 0.372 18081 153 1 . 1 1 29 29 VAL CB C 29 31.600 31.600 32.361 -0.761 18081 154 1 . 1 1 29 29 VAL H H 29 7.868 7.868 7.884 -0.016 18081 155 1 . 1 1 30 30 VAL N N 30 129.718 129.718 125.280 4.438 18081 156 1 . 1 1 30 30 VAL HA H 30 4.387 4.387 4.519 -0.132 18081 157 1 . 1 1 30 30 VAL C C 30 175.107 175.107 174.905 0.202 18081 158 1 . 1 1 30 30 VAL CA C 30 60.743 60.743 60.218 0.525 18081 159 1 . 1 1 30 30 VAL CB C 30 35.258 35.258 35.532 -0.274 18081 160 1 . 1 1 30 30 VAL H H 30 9.556 9.556 8.282 1.274 18081 161 1 . 1 1 31 31 GLN N N 31 129.372 129.372 126.480 2.892 18081 162 1 . 1 1 31 31 GLN HA H 31 4.141 4.141 4.276 -0.135 18081 163 1 . 1 1 31 31 GLN C C 31 176.413 176.413 175.802 0.611 18081 164 1 . 1 1 31 31 GLN CA C 31 57.050 57.050 56.853 0.197 18081 165 1 . 1 1 31 31 GLN CB C 31 27.051 27.051 28.556 -1.505 18081 166 1 . 1 1 31 31 GLN H H 31 9.153 9.153 8.810 0.343 18081 167 1 . 1 1 32 32 THR N N 32 119.775 119.775 119.392 0.383 18081 168 1 . 1 1 32 32 THR HA H 32 4.392 4.392 4.541 -0.149 18081 169 1 . 1 1 32 32 THR C C 32 174.102 174.102 174.429 -0.327 18081 170 1 . 1 1 32 32 THR CA C 32 61.678 61.678 61.525 0.153 18081 171 1 . 1 1 32 32 THR CB C 32 68.775 68.775 69.974 -1.199 18081 172 1 . 1 1 32 32 THR H H 32 8.266 8.266 8.186 0.080 18081 173 1 . 1 1 33 33 GLY N N 33 111.761 111.761 110.052 1.709 18081 174 1 . 1 1 33 33 GLY C C 33 170.586 170.586 172.593 -2.007 18081 175 1 . 1 1 33 33 GLY CA C 33 45.082 45.082 43.225 1.857 18081 176 1 . 1 1 33 33 GLY H H 33 7.997 7.997 7.445 0.552 18081 177 1 . 1 1 34 34 PRO C C 34 176.674 176.674 176.314 0.360 18081 178 1 . 1 1 34 34 PRO CA C 34 64.881 64.881 64.171 0.710 18081 179 1 . 1 1 34 34 PRO CB C 34 31.361 31.361 32.134 -0.773 18081 180 1 . 1 1 35 35 ASN N N 35 117.681 117.681 114.774 2.907 18081 181 1 . 1 1 35 35 ASN HA H 35 4.854 4.854 4.606 0.248 18081 182 1 . 1 1 35 35 ASN C C 35 173.262 173.262 172.966 0.296 18081 183 1 . 1 1 35 35 ASN CA C 35 52.123 52.123 53.098 -0.975 18081 184 1 . 1 1 35 35 ASN CB C 35 39.756 39.756 39.012 0.744 18081 185 1 . 1 1 35 35 ASN H H 35 8.649 8.649 8.276 0.373 18081 186 1 . 1 1 36 36 GLN N N 36 119.276 119.276 116.301 2.975 18081 187 1 . 1 1 36 36 GLN HA H 36 5.567 5.567 4.984 0.583 18081 188 1 . 1 1 36 36 GLN C C 36 173.292 173.292 173.695 -0.403 18081 189 1 . 1 1 36 36 GLN CA C 36 54.603 54.603 54.245 0.358 18081 190 1 . 1 1 36 36 GLN CB C 36 33.874 33.874 31.365 2.509 18081 191 1 . 1 1 36 36 GLN H H 36 6.953 6.953 7.280 -0.327 18081 192 1 . 1 1 37 37 TYR N N 37 125.339 125.339 122.082 3.257 18081 193 1 . 1 1 37 37 TYR HA H 37 5.064 5.064 4.884 0.180 18081 194 1 . 1 1 37 37 TYR C C 37 174.321 174.321 175.560 -1.239 18081 195 1 . 1 1 37 37 TYR CA C 37 56.472 56.472 56.534 -0.062 18081 196 1 . 1 1 37 37 TYR CB C 37 40.696 40.696 40.847 -0.151 18081 197 1 . 1 1 37 37 TYR H H 37 8.898 8.898 8.589 0.309 18081 198 1 . 1 1 38 38 THR N N 38 121.935 121.935 120.608 1.327 18081 199 1 . 1 1 38 38 THR HA H 38 5.098 5.098 4.471 0.627 18081 200 1 . 1 1 38 38 THR C C 38 172.253 172.253 173.782 -1.529 18081 201 1 . 1 1 38 38 THR CA C 38 61.589 61.589 62.496 -0.907 18081 202 1 . 1 1 38 38 THR CB C 38 69.764 69.764 68.536 1.228 18081 203 1 . 1 1 38 38 THR H H 38 9.592 9.592 8.889 0.703 18081 204 1 . 1 1 39 39 VAL N N 39 126.189 126.189 127.572 -1.383 18081 205 1 . 1 1 39 39 VAL HA H 39 5.101 5.101 4.061 1.040 18081 206 1 . 1 1 39 39 VAL C C 39 174.612 174.612 174.301 0.311 18081 207 1 . 1 1 39 39 VAL CA C 39 59.631 59.631 61.460 -1.829 18081 208 1 . 1 1 39 39 VAL CB C 39 34.071 34.071 32.436 1.635 18081 209 1 . 1 1 39 39 VAL H H 39 8.710 8.710 7.975 0.735 18081 210 1 . 1 1 40 40 TYR N N 40 130.243 130.243 125.379 4.864 18081 211 1 . 1 1 40 40 TYR HA H 40 4.641 4.641 5.004 -0.363 18081 212 1 . 1 1 40 40 TYR C C 40 174.840 174.840 175.830 -0.990 18081 213 1 . 1 1 40 40 TYR CA C 40 58.652 58.652 56.842 1.810 18081 214 1 . 1 1 40 40 TYR CB C 40 36.840 36.840 39.561 -2.721 18081 215 1 . 1 1 40 40 TYR H H 40 9.139 9.139 8.226 0.913 18081 216 1 . 1 1 41 41 VAL N N 41 124.415 124.415 121.828 2.588 18081 217 1 . 1 1 41 41 VAL HA H 41 5.340 5.340 4.660 0.680 18081 218 1 . 1 1 41 41 VAL C C 41 175.680 175.680 174.404 1.276 18081 219 1 . 1 1 41 41 VAL CA C 41 60.254 60.254 61.121 -0.867 18081 220 1 . 1 1 41 41 VAL CB C 41 34.862 34.862 34.532 0.330 18081 221 1 . 1 1 41 41 VAL H H 41 8.686 8.686 9.197 -0.511 18081 222 1 . 1 1 42 42 LEU N N 42 129.148 129.148 128.756 0.392 18081 223 1 . 1 1 42 42 LEU HA H 42 5.146 5.146 4.945 0.201 18081 224 1 . 1 1 42 42 LEU C C 42 175.161 175.161 175.103 0.058 18081 225 1 . 1 1 42 42 LEU CA C 42 52.779 52.779 53.907 -1.128 18081 226 1 . 1 1 42 42 LEU CB C 42 45.639 45.639 45.398 0.241 18081 227 1 . 1 1 42 42 LEU H H 42 9.694 9.694 8.649 1.045 18081 228 1 . 1 1 43 43 ALA N N 43 261.272 261.272 256.393 4.879 18081 229 1 . 1 1 43 43 ALA HA H 43 4.722 4.722 4.439 0.283 18081 230 1 . 1 1 43 43 ALA C C 43 173.292 173.292 174.986 -1.695 18081 231 1 . 1 1 43 43 ALA CA C 43 50.154 50.154 51.790 -1.636 18081 232 1 . 1 1 43 43 ALA CB C 43 20.130 20.130 21.088 -0.958 18081 233 1 . 1 1 43 43 ALA H H 43 17.413 17.413 16.314 1.099 18081 234 1 . 1 1 44 44 PHE N N 44 118.472 118.472 118.340 0.132 18081 235 1 . 1 1 44 44 PHE HA H 44 5.209 5.209 4.864 0.345 18081 236 1 . 1 1 44 44 PHE C C 44 172.698 172.698 174.474 -1.776 18081 237 1 . 1 1 44 44 PHE CA C 44 54.125 54.125 55.853 -1.728 18081 238 1 . 1 1 44 44 PHE CB C 44 42.673 42.673 40.967 1.706 18081 239 1 . 1 1 44 44 PHE H H 44 7.756 7.756 7.415 0.341 18081 240 1 . 1 1 45 45 ALA N N 45 248.391 248.391 245.889 2.502 18081 241 1 . 1 1 45 45 ALA HA H 45 3.413 3.413 4.321 -0.908 18081 242 1 . 1 1 45 45 ALA C C 45 177.267 177.267 176.883 0.384 18081 243 1 . 1 1 45 45 ALA CA C 45 46.283 46.283 52.445 -6.162 18081 244 1 . 1 1 45 45 ALA CB C 45 15.780 15.780 18.684 -2.904 18081 245 1 . 1 1 45 45 ALA H H 45 19.912 19.912 17.366 2.546 18081 246 1 . 1 1 46 46 PHE N N 46 128.515 128.515 119.331 9.184 18081 247 1 . 1 1 46 46 PHE HA H 46 5.220 5.220 4.662 0.558 18081 248 1 . 1 1 46 46 PHE C C 46 173.387 173.387 175.526 -2.139 18081 249 1 . 1 1 46 46 PHE CA C 46 60.031 60.031 56.904 3.127 18081 250 1 . 1 1 46 46 PHE CB C 46 40.399 40.399 38.539 1.860 18081 251 1 . 1 1 46 46 PHE H H 46 7.994 7.994 8.182 -0.188 18081 252 1 . 1 1 47 47 GLY N N 47 113.741 113.741 110.032 3.709 18081 253 1 . 1 1 47 47 GLY C C 47 167.774 167.774 172.459 -4.685 18081 254 1 . 1 1 47 47 GLY CA C 47 45.235 45.235 44.910 0.325 18081 255 1 . 1 1 47 47 GLY H H 47 7.796 7.796 7.789 0.007 18081 256 1 . 1 1 48 48 TYR N N 48 233.390 233.390 239.387 -5.997 18081 257 1 . 1 1 48 48 TYR HA H 48 5.338 5.338 4.791 0.547 18081 258 1 . 1 1 48 48 TYR C C 48 175.042 175.042 174.073 0.969 18081 259 1 . 1 1 48 48 TYR CA C 48 56.294 56.294 57.387 -1.093 18081 260 1 . 1 1 48 48 TYR CB C 48 41.962 41.962 40.593 1.369 18081 261 1 . 1 1 48 48 TYR H H 48 16.528 16.528 16.850 -0.322 18081 262 1 . 1 1 49 49 GLN N N 49 121.776 121.776 122.639 -0.863 18081 263 1 . 1 1 49 49 GLN HA H 49 4.817 4.817 4.789 0.028 18081 264 1 . 1 1 49 49 GLN CA C 49 52.334 52.334 53.326 -0.992 18081 265 1 . 1 1 49 49 GLN CB C 49 33.874 33.874 30.096 3.778 18081 266 1 . 1 1 49 49 GLN H H 49 9.163 9.163 8.175 0.988 18081 267 1 . 1 1 50 50 PRO HA H 50 4.742 4.742 4.556 0.186 18081 268 1 . 1 1 50 50 PRO C C 50 174.271 174.271 175.962 -1.691 18081 269 1 . 1 1 50 50 PRO CA C 50 62.790 62.790 62.782 0.008 18081 270 1 . 1 1 50 50 PRO CB C 50 34.665 34.665 32.407 2.258 18081 271 1 . 1 1 51 51 ASN N N 51 113.755 113.755 116.438 -2.683 18081 272 1 . 1 1 51 51 ASN HA H 51 5.080 5.080 5.000 0.080 18081 273 1 . 1 1 51 51 ASN CA C 51 50.999 50.999 51.533 -0.534 18081 274 1 . 1 1 51 51 ASN CB C 51 40.696 40.696 38.821 1.875 18081 275 1 . 1 1 51 51 ASN H H 51 8.229 8.229 8.412 -0.183 18081 276 1 . 1 1 52 52 PRO HA H 52 5.271 5.271 4.448 0.823 18081 277 1 . 1 1 52 52 PRO C C 52 176.525 176.525 175.803 0.722 18081 278 1 . 1 1 52 52 PRO CA C 52 63.591 63.591 62.917 0.674 18081 279 1 . 1 1 52 52 PRO CB C 52 34.907 34.907 31.055 3.852 18081 280 1 . 1 1 53 53 ILE N N 53 120.452 120.452 123.114 -2.662 18081 281 1 . 1 1 53 53 ILE HA H 53 4.066 4.066 4.254 -0.188 18081 282 1 . 1 1 53 53 ILE C C 53 174.236 174.236 174.882 -0.646 18081 283 1 . 1 1 53 53 ILE CA C 53 61.500 61.500 60.367 1.133 18081 284 1 . 1 1 53 53 ILE CB C 53 39.905 39.905 39.810 0.095 18081 285 1 . 1 1 53 53 ILE H H 53 8.321 8.321 8.032 0.289 18081 286 1 . 1 1 54 54 GLU N N 54 129.279 129.279 126.073 3.206 18081 287 1 . 1 1 54 54 GLU HA H 54 5.467 5.467 4.691 0.776 18081 288 1 . 1 1 54 54 GLU C C 54 175.598 175.598 174.853 0.745 18081 289 1 . 1 1 54 54 GLU CA C 54 55.004 55.004 55.201 -0.197 18081 290 1 . 1 1 54 54 GLU CB C 54 30.907 30.907 32.465 -1.558 18081 291 1 . 1 1 54 54 GLU H H 54 8.458 8.458 8.335 0.123 18081 292 1 . 1 1 55 55 VAL N N 55 115.767 115.767 123.173 -7.406 18081 293 1 . 1 1 55 55 VAL HA H 55 4.656 4.656 4.524 0.132 18081 294 1 . 1 1 55 55 VAL C C 55 172.453 172.453 173.410 -0.957 18081 295 1 . 1 1 55 55 VAL CA C 55 56.739 56.739 58.672 -1.933 18081 296 1 . 1 1 55 55 VAL CB C 55 33.972 33.972 33.826 0.146 18081 297 1 . 1 1 55 55 VAL H H 55 8.492 8.492 8.437 0.055 18081 298 1 . 1 1 56 56 PRO HA H 56 4.667 4.667 4.740 -0.073 18081 299 1 . 1 1 56 56 PRO C C 56 177.445 177.445 177.097 0.348 18081 300 1 . 1 1 56 56 PRO CA C 56 61.678 61.678 62.255 -0.577 18081 301 1 . 1 1 56 56 PRO CB C 56 31.995 31.995 31.654 0.341 18081 302 1 . 1 1 57 57 GLN N N 57 122.020 122.020 124.684 -2.664 18081 303 1 . 1 1 57 57 GLN HA H 57 3.890 3.890 4.085 -0.195 18081 304 1 . 1 1 57 57 GLN C C 57 176.735 176.735 176.848 -0.113 18081 305 1 . 1 1 57 57 GLN CA C 57 56.872 56.872 56.295 0.577 18081 306 1 . 1 1 57 57 GLN CB C 57 27.842 27.842 28.762 -0.920 18081 307 1 . 1 1 57 57 GLN H H 57 8.466 8.466 8.109 0.357 18081 308 1 . 1 1 58 58 GLY N N 58 112.805 112.805 109.956 2.849 18081 309 1 . 1 1 58 58 GLY C C 58 172.686 172.686 173.380 -0.694 18081 310 1 . 1 1 58 58 GLY CA C 58 46.372 46.372 45.050 1.322 18081 311 1 . 1 1 58 58 GLY H H 58 8.713 8.713 8.531 0.182 18081 312 1 . 1 1 59 59 ALA N N 59 122.839 122.839 123.320 -0.482 18081 313 1 . 1 1 59 59 ALA HA H 59 4.551 4.551 4.596 -0.045 18081 314 1 . 1 1 59 59 ALA C C 59 176.659 176.659 175.653 1.006 18081 315 1 . 1 1 59 59 ALA CA C 59 50.732 50.732 50.905 -0.173 18081 316 1 . 1 1 59 59 ALA CB C 59 20.724 20.724 21.667 -0.943 18081 317 1 . 1 1 59 59 ALA H H 59 6.982 6.982 7.344 -0.362 18081 318 1 . 1 1 60 60 GLU N N 60 123.390 123.390 119.452 3.938 18081 319 1 . 1 1 60 60 GLU HA H 60 4.307 4.307 4.316 -0.009 18081 320 1 . 1 1 60 60 GLU C C 60 173.876 173.876 175.552 -1.676 18081 321 1 . 1 1 60 60 GLU CA C 60 56.828 56.828 56.844 -0.016 18081 322 1 . 1 1 60 60 GLU CB C 60 30.314 30.314 30.821 -0.507 18081 323 1 . 1 1 60 60 GLU H H 60 8.260 8.260 8.278 -0.018 18081 324 1 . 1 1 61 61 ILE N N 61 130.883 130.883 122.450 8.433 18081 325 1 . 1 1 61 61 ILE HA H 61 4.822 4.822 4.556 0.266 18081 326 1 . 1 1 61 61 ILE C C 61 175.267 175.267 175.292 -0.025 18081 327 1 . 1 1 61 61 ILE CA C 61 57.423 57.423 58.750 -1.327 18081 328 1 . 1 1 61 61 ILE CB C 61 35.752 35.752 39.017 -3.265 18081 329 1 . 1 1 61 61 ILE H H 61 9.103 9.103 8.373 0.730 18081 330 1 . 1 1 62 62 VAL N N 62 127.879 127.879 125.572 2.307 18081 331 1 . 1 1 62 62 VAL HA H 62 4.348 4.348 4.862 -0.514 18081 332 1 . 1 1 62 62 VAL C C 62 175.598 175.598 175.600 -0.002 18081 333 1 . 1 1 62 62 VAL CA C 62 60.743 60.743 60.454 0.289 18081 334 1 . 1 1 62 62 VAL CB C 62 31.204 31.204 31.312 -0.107 18081 335 1 . 1 1 62 62 VAL H H 62 8.992 8.992 8.467 0.525 18081 336 1 . 1 1 63 63 PHE N N 63 125.354 125.354 129.023 -3.669 18081 337 1 . 1 1 63 63 PHE HA H 63 4.993 4.993 4.536 0.457 18081 338 1 . 1 1 63 63 PHE C C 63 175.507 175.507 175.282 0.225 18081 339 1 . 1 1 63 63 PHE CA C 63 57.807 57.807 59.288 -1.481 18081 340 1 . 1 1 63 63 PHE CB C 63 39.608 39.608 39.987 -0.379 18081 341 1 . 1 1 63 63 PHE H H 63 9.521 9.521 8.660 0.861 18081 342 1 . 1 1 64 64 LYS N N 64 123.471 123.471 122.592 0.879 18081 343 1 . 1 1 64 64 LYS HA H 64 5.093 5.093 5.276 -0.183 18081 344 1 . 1 1 64 64 LYS C C 64 175.877 175.877 175.611 0.266 18081 345 1 . 1 1 64 64 LYS CA C 64 54.381 54.381 55.390 -1.009 18081 346 1 . 1 1 64 64 LYS CB C 64 33.069 33.069 34.080 -1.011 18081 347 1 . 1 1 64 64 LYS H H 64 8.977 8.977 8.622 0.355 18081 348 1 . 1 1 65 65 ILE N N 65 125.792 125.792 125.593 0.199 18081 349 1 . 1 1 65 65 ILE HA H 65 5.803 5.803 5.268 0.535 18081 350 1 . 1 1 65 65 ILE C C 65 175.724 175.724 175.393 0.331 18081 351 1 . 1 1 65 65 ILE CA C 65 59.764 59.764 60.239 -0.475 18081 352 1 . 1 1 65 65 ILE CB C 65 41.388 41.388 40.676 0.712 18081 353 1 . 1 1 65 65 ILE H H 65 9.390 9.390 8.384 1.006 18081 354 1 . 1 1 66 66 THR N N 66 119.455 119.455 118.784 0.671 18081 355 1 . 1 1 66 66 THR HA H 66 4.583 4.583 4.503 0.080 18081 356 1 . 1 1 66 66 THR C C 66 170.978 170.978 172.361 -1.382 18081 357 1 . 1 1 66 66 THR CA C 66 61.233 61.233 61.297 -0.064 18081 358 1 . 1 1 66 66 THR CB C 66 70.456 70.456 69.555 0.901 18081 359 1 . 1 1 66 66 THR H H 66 8.176 8.176 7.992 0.184 18081 360 1 . 1 1 67 67 SER N N 67 115.523 115.523 121.439 -5.916 18081 361 1 . 1 1 67 67 SER HA H 67 6.316 6.316 5.104 1.212 18081 362 1 . 1 1 67 67 SER C C 67 174.516 174.516 172.765 1.751 18081 363 1 . 1 1 67 67 SER CA C 67 51.222 51.222 55.463 -4.240 18081 364 1 . 1 1 67 67 SER CB C 67 66.501 66.501 65.644 0.857 18081 365 1 . 1 1 67 67 SER H H 67 7.190 7.190 8.386 -1.196 18081 366 1 . 1 1 68 68 PRO HA H 68 4.828 4.828 4.318 0.510 18081 367 1 . 1 1 68 68 PRO C C 68 174.360 174.360 175.785 -1.425 18081 368 1 . 1 1 68 68 PRO CA C 68 62.568 62.568 64.764 -2.196 18081 369 1 . 1 1 68 68 PRO CB C 68 32.489 32.489 32.042 0.447 18081 370 1 . 1 1 69 69 ASP N N 69 120.505 120.505 117.387 3.118 18081 371 1 . 1 1 69 69 ASP HA H 69 4.748 4.748 4.866 -0.118 18081 372 1 . 1 1 69 69 ASP C C 69 173.775 173.775 174.400 -0.625 18081 373 1 . 1 1 69 69 ASP CA C 69 55.449 55.449 54.038 1.411 18081 374 1 . 1 1 69 69 ASP CB C 69 41.981 41.981 41.486 0.495 18081 375 1 . 1 1 69 69 ASP H H 69 8.594 8.594 8.346 0.248 18081 376 1 . 1 1 70 70 VAL N N 70 241.219 241.219 230.509 10.710 18081 377 1 . 1 1 70 70 VAL HA H 70 4.574 4.574 4.398 0.176 18081 378 1 . 1 1 70 70 VAL C C 70 174.866 174.866 174.161 0.705 18081 379 1 . 1 1 70 70 VAL CA C 70 59.231 59.231 60.191 -0.960 18081 380 1 . 1 1 70 70 VAL CB C 70 35.060 35.060 34.806 0.254 18081 381 1 . 1 1 70 70 VAL H H 70 22.129 22.129 15.342 6.787 18081 382 1 . 1 1 71 71 ILE N N 71 242.092 242.092 244.326 -2.234 18081 383 1 . 1 1 71 71 ILE HA H 71 4.438 4.438 4.116 0.322 18081 384 1 . 1 1 71 71 ILE CA C 71 62.434 62.434 60.746 1.688 18081 385 1 . 1 1 71 71 ILE CB C 71 38.521 38.521 38.282 0.239 18081 386 1 . 1 1 71 71 ILE H H 71 15.281 15.281 16.653 -1.372 18081 387 1 . 1 1 73 73 GLY C C 73 172.580 172.580 172.724 -0.144 18081 388 1 . 1 1 73 73 GLY CA C 73 44.414 44.414 44.715 -0.301 18081 389 1 . 1 1 74 74 PHE N N 74 123.714 123.714 118.141 5.573 18081 390 1 . 1 1 74 74 PHE HA H 74 4.285 4.285 4.956 -0.671 18081 391 1 . 1 1 74 74 PHE C C 74 171.502 171.502 173.829 -2.327 18081 392 1 . 1 1 74 74 PHE CA C 74 58.697 58.697 55.231 3.466 18081 393 1 . 1 1 74 74 PHE CB C 74 40.795 40.795 41.069 -0.274 18081 394 1 . 1 1 74 74 PHE H H 74 8.712 8.712 7.225 1.487 18081 395 1 . 1 1 75 75 HIS N N 75 250.305 250.305 242.498 7.807 18081 396 1 . 1 1 75 75 HIS HA H 75 5.458 5.458 4.833 0.625 18081 397 1 . 1 1 75 75 HIS C C 75 172.817 172.817 173.876 -1.059 18081 398 1 . 1 1 75 75 HIS CA C 75 52.423 52.423 54.999 -2.576 18081 399 1 . 1 1 75 75 HIS CB C 75 29.523 29.523 31.519 -1.996 18081 400 1 . 1 1 75 75 HIS H H 75 15.421 15.421 17.188 -1.767 18081 401 1 . 1 1 76 76 VAL N N 76 124.569 124.569 124.658 -0.089 18081 402 1 . 1 1 76 76 VAL HA H 76 4.293 4.293 3.973 0.319 18081 403 1 . 1 1 76 76 VAL C C 76 175.843 175.843 175.085 0.758 18081 404 1 . 1 1 76 76 VAL CA C 76 60.699 60.699 60.380 0.319 18081 405 1 . 1 1 76 76 VAL CB C 76 30.368 30.368 34.340 -3.972 18081 406 1 . 1 1 76 76 VAL H H 76 6.558 6.558 8.099 -1.541 18081 407 1 . 1 1 77 77 GLU N N 77 132.091 132.091 125.570 6.521 18081 408 1 . 1 1 77 77 GLU HA H 77 3.889 3.889 4.095 -0.206 18081 409 1 . 1 1 77 77 GLU C C 77 176.941 176.941 177.742 -0.801 18081 410 1 . 1 1 77 77 GLU CA C 77 58.697 58.697 57.073 1.624 18081 411 1 . 1 1 77 77 GLU CB C 77 30.215 30.215 30.030 0.185 18081 412 1 . 1 1 77 77 GLU H H 77 8.977 8.977 8.247 0.730 18081 413 1 . 1 1 78 78 GLY N N 78 222.868 222.868 215.953 6.914 18081 414 1 . 1 1 78 78 GLY C C 78 174.152 174.152 174.195 -0.043 18081 415 1 . 1 1 78 78 GLY CA C 78 45.260 45.260 45.920 -0.660 18081 416 1 . 1 1 78 78 GLY H H 78 17.020 17.020 17.595 -0.575 18081 417 1 . 1 1 79 79 THR N N 79 109.705 109.705 116.791 -7.086 18081 418 1 . 1 1 79 79 THR HA H 79 4.949 4.949 4.518 0.431 18081 419 1 . 1 1 79 79 THR C C 79 173.397 173.397 173.484 -0.087 18081 420 1 . 1 1 79 79 THR CA C 79 60.076 60.076 60.722 -0.646 18081 421 1 . 1 1 79 79 THR CB C 79 72.829 72.829 71.183 1.646 18081 422 1 . 1 1 79 79 THR H H 79 7.810 7.810 7.736 0.074 18081 423 1 . 1 1 80 80 ASN N N 80 116.427 116.427 121.474 -5.047 18081 424 1 . 1 1 80 80 ASN HA H 80 4.920 4.920 4.767 0.153 18081 425 1 . 1 1 80 80 ASN C C 80 175.665 175.665 174.450 1.215 18081 426 1 . 1 1 80 80 ASN CA C 80 52.023 52.023 53.020 -0.997 18081 427 1 . 1 1 80 80 ASN CB C 80 37.532 37.532 37.683 -0.151 18081 428 1 . 1 1 80 80 ASN H H 80 7.856 7.856 8.720 -0.864 18081 429 1 . 1 1 81 81 ILE N N 81 121.552 121.552 122.497 -0.945 18081 430 1 . 1 1 81 81 ILE HA H 81 3.797 3.797 3.974 -0.177 18081 431 1 . 1 1 81 81 ILE C C 81 176.564 176.564 174.423 2.141 18081 432 1 . 1 1 81 81 ILE CA C 81 62.523 62.523 61.505 1.018 18081 433 1 . 1 1 81 81 ILE CB C 81 38.101 38.101 38.301 -0.200 18081 434 1 . 1 1 81 81 ILE H H 81 8.493 8.493 7.626 0.867 18081 435 1 . 1 1 82 82 ASN N N 82 263.292 263.292 255.582 7.710 18081 436 1 . 1 1 82 82 ASN HA H 82 5.151 5.151 4.922 0.229 18081 437 1 . 1 1 82 82 ASN C C 82 173.025 173.025 174.192 -1.167 18081 438 1 . 1 1 82 82 ASN CA C 82 54.267 54.267 51.887 2.380 18081 439 1 . 1 1 82 82 ASN CB C 82 39.806 39.806 39.152 0.654 18081 440 1 . 1 1 82 82 ASN H H 82 17.963 17.963 16.833 1.130 18081 441 1 . 1 1 83 83 VAL N N 83 120.866 120.866 119.044 1.822 18081 442 1 . 1 1 83 83 VAL HA H 83 4.665 4.665 4.407 0.258 18081 443 1 . 1 1 83 83 VAL C C 83 173.954 173.954 174.261 -0.307 18081 444 1 . 1 1 83 83 VAL CA C 83 60.120 60.120 61.227 -1.107 18081 445 1 . 1 1 83 83 VAL CB C 83 35.653 35.653 32.783 2.870 18081 446 1 . 1 1 83 83 VAL H H 83 8.356 8.356 8.133 0.223 18081 447 1 . 1 1 84 84 GLU N N 84 125.997 125.997 125.883 0.114 18081 448 1 . 1 1 84 84 GLU HA H 84 4.587 4.587 4.519 0.068 18081 449 1 . 1 1 84 84 GLU C C 84 174.600 174.600 174.658 -0.058 18081 450 1 . 1 1 84 84 GLU CA C 84 56.027 56.027 56.053 -0.026 18081 451 1 . 1 1 84 84 GLU CB C 84 30.809 30.809 31.513 -0.704 18081 452 1 . 1 1 84 84 GLU H H 84 8.534 8.534 8.407 0.127 18081 453 1 . 1 1 85 85 VAL N N 85 125.888 125.888 122.796 3.092 18081 454 1 . 1 1 85 85 VAL HA H 85 4.049 4.049 4.360 -0.311 18081 455 1 . 1 1 85 85 VAL C C 85 173.256 173.256 174.619 -1.363 18081 456 1 . 1 1 85 85 VAL CA C 85 61.517 61.517 60.906 0.611 18081 457 1 . 1 1 85 85 VAL CB C 85 32.786 32.786 34.747 -1.961 18081 458 1 . 1 1 85 85 VAL H H 85 8.782 8.782 8.137 0.645 18081 459 1 . 1 1 86 86 LEU N N 86 128.745 128.745 124.674 4.071 18081 460 1 . 1 1 86 86 LEU HA H 86 4.801 4.801 4.484 0.317 18081 461 1 . 1 1 86 86 LEU CA C 86 51.934 51.934 53.522 -1.588 18081 462 1 . 1 1 86 86 LEU CB C 86 42.410 42.410 41.318 1.092 18081 463 1 . 1 1 86 86 LEU H H 86 9.131 9.131 8.397 0.734 18081 464 1 . 1 1 87 87 PRO HA H 87 4.664 4.664 4.346 0.318 18081 465 1 . 1 1 87 87 PRO C C 87 178.454 178.454 177.453 1.001 18081 466 1 . 1 1 87 87 PRO CA C 87 62.612 62.612 63.028 -0.416 18081 467 1 . 1 1 87 87 PRO CB C 87 31.205 31.205 32.252 -1.047 18081 468 1 . 1 1 88 88 GLY N N 88 112.804 112.804 108.841 3.963 18081 469 1 . 1 1 88 88 GLY C C 88 173.451 173.451 173.227 0.225 18081 470 1 . 1 1 88 88 GLY CA C 88 45.082 45.082 45.132 -0.050 18081 471 1 . 1 1 88 88 GLY H H 88 9.103 9.103 8.567 0.536 18081 472 1 . 1 1 89 89 GLU N N 89 118.355 118.355 117.222 1.133 18081 473 1 . 1 1 89 89 GLU HA H 89 5.100 5.100 4.616 0.484 18081 474 1 . 1 1 89 89 GLU C C 89 176.719 176.719 174.522 2.197 18081 475 1 . 1 1 89 89 GLU CA C 89 54.247 54.247 54.632 -0.384 18081 476 1 . 1 1 89 89 GLU CB C 89 32.863 32.863 33.113 -0.250 18081 477 1 . 1 1 89 89 GLU H H 89 7.764 7.764 7.488 0.276 18081 478 1 . 1 1 90 90 VAL N N 90 127.142 127.142 123.187 3.955 18081 479 1 . 1 1 90 90 VAL HA H 90 4.500 4.500 4.773 -0.273 18081 480 1 . 1 1 90 90 VAL C C 90 176.838 176.838 175.711 1.127 18081 481 1 . 1 1 90 90 VAL CA C 90 61.856 61.856 61.494 0.362 18081 482 1 . 1 1 90 90 VAL CB C 90 33.138 33.138 32.944 0.194 18081 483 1 . 1 1 90 90 VAL H H 90 8.830 8.830 8.268 0.562 18081 484 1 . 1 1 91 91 SER N N 91 127.859 127.859 123.547 4.312 18081 485 1 . 1 1 91 91 SER HA H 91 4.924 4.924 4.752 0.172 18081 486 1 . 1 1 91 91 SER C C 91 173.015 173.015 173.775 -0.760 18081 487 1 . 1 1 91 91 SER CA C 91 58.118 58.118 57.559 0.559 18081 488 1 . 1 1 91 91 SER CB C 91 63.931 63.931 64.608 -0.677 18081 489 1 . 1 1 91 91 SER H H 91 9.710 9.710 8.465 1.245 18081 490 1 . 1 1 92 92 THR N N 92 122.627 122.627 120.064 2.563 18081 491 1 . 1 1 92 92 THR HA H 92 5.682 5.682 5.279 0.403 18081 492 1 . 1 1 92 92 THR C C 92 174.480 174.480 173.889 0.591 18081 493 1 . 1 1 92 92 THR CA C 92 61.856 61.856 61.745 0.111 18081 494 1 . 1 1 92 92 THR CB C 92 70.160 70.160 70.285 -0.125 18081 495 1 . 1 1 92 92 THR H H 92 8.864 8.864 8.438 0.426 18081 496 1 . 1 1 93 93 VAL N N 93 126.698 126.698 125.647 1.051 18081 497 1 . 1 1 93 93 VAL HA H 93 4.507 4.507 4.469 0.038 18081 498 1 . 1 1 93 93 VAL C C 93 173.002 173.002 174.387 -1.385 18081 499 1 . 1 1 93 93 VAL CA C 93 60.654 60.654 60.925 -0.271 18081 500 1 . 1 1 93 93 VAL CB C 93 35.653 35.653 35.108 0.545 18081 501 1 . 1 1 93 93 VAL H H 93 8.806 8.806 8.425 0.381 18081 502 1 . 1 1 94 94 ARG N N 94 126.396 126.396 127.021 -0.625 18081 503 1 . 1 1 94 94 ARG HA H 94 5.890 5.890 5.310 0.580 18081 504 1 . 1 1 94 94 ARG C C 94 175.885 175.885 175.477 0.408 18081 505 1 . 1 1 94 94 ARG CA C 94 54.381 54.381 54.886 -0.505 18081 506 1 . 1 1 94 94 ARG CB C 94 32.588 32.588 30.182 2.405 18081 507 1 . 1 1 94 94 ARG H H 94 8.630 8.630 8.658 -0.028 18081 508 1 . 1 1 95 95 TYR N N 95 126.390 126.390 126.378 0.012 18081 509 1 . 1 1 95 95 TYR HA H 95 4.320 4.320 4.724 -0.404 18081 510 1 . 1 1 95 95 TYR C C 95 172.683 172.683 173.907 -1.224 18081 511 1 . 1 1 95 95 TYR CA C 95 59.586 59.586 57.904 1.682 18081 512 1 . 1 1 95 95 TYR CB C 95 44.453 44.453 40.849 3.604 18081 513 1 . 1 1 95 95 TYR H H 95 9.623 9.623 8.217 1.406 18081 514 1 . 1 1 96 96 THR N N 96 121.396 121.396 121.148 0.248 18081 515 1 . 1 1 96 96 THR HA H 96 4.684 4.684 4.608 0.076 18081 516 1 . 1 1 96 96 THR C C 96 172.729 172.729 173.106 -0.377 18081 517 1 . 1 1 96 96 THR CA C 96 61.322 61.322 60.699 0.623 18081 518 1 . 1 1 96 96 THR CB C 96 70.160 70.160 70.426 -0.266 18081 519 1 . 1 1 96 96 THR H H 96 6.742 6.742 7.895 -1.153 18081 520 1 . 1 1 97 97 PHE N N 97 126.539 126.539 126.072 0.467 18081 521 1 . 1 1 97 97 PHE HA H 97 4.453 4.453 4.584 -0.131 18081 522 1 . 1 1 97 97 PHE C C 97 176.075 176.075 175.801 0.274 18081 523 1 . 1 1 97 97 PHE CA C 97 58.207 58.207 57.239 0.968 18081 524 1 . 1 1 97 97 PHE CB C 97 39.908 39.908 41.458 -1.550 18081 525 1 . 1 1 97 97 PHE H H 97 8.933 8.933 8.654 0.279 18081 526 1 . 1 1 98 98 LYS N N 98 123.417 123.417 118.969 4.448 18081 527 1 . 1 1 98 98 LYS HA H 98 4.393 4.393 4.426 -0.033 18081 528 1 . 1 1 98 98 LYS C C 98 175.939 175.939 175.751 0.188 18081 529 1 . 1 1 98 98 LYS CA C 98 56.783 56.783 56.380 0.403 18081 530 1 . 1 1 98 98 LYS CB C 98 32.984 32.984 33.840 -0.856 18081 531 1 . 1 1 98 98 LYS H H 98 8.604 8.604 8.627 -0.023 18081 532 1 . 1 1 99 99 ARG N N 99 118.424 118.424 119.535 -1.111 18081 533 1 . 1 1 99 99 ARG HA H 99 5.020 5.020 4.697 0.323 18081 534 1 . 1 1 99 99 ARG C C 99 174.332 174.332 173.442 0.890 18081 535 1 . 1 1 99 99 ARG CA C 99 52.601 52.601 53.540 -0.939 18081 536 1 . 1 1 99 99 ARG CB C 99 31.600 31.600 31.255 0.345 18081 537 1 . 1 1 99 99 ARG H H 99 7.801 7.801 7.815 -0.014 18081 538 1 . 1 1 100 100 PRO HA H 100 4.383 4.383 4.370 0.013 18081 539 1 . 1 1 100 100 PRO C C 100 175.190 175.190 176.511 -1.321 18081 540 1 . 1 1 100 100 PRO CA C 100 62.568 62.568 62.627 -0.059 18081 541 1 . 1 1 100 100 PRO CB C 100 32.588 32.588 32.217 0.371 18081 542 1 . 1 1 101 101 GLY N N 101 108.626 108.626 108.092 0.534 18081 543 1 . 1 1 101 101 GLY C C 101 171.375 171.375 172.081 -0.706 18081 544 1 . 1 1 101 101 GLY CA C 101 44.103 44.103 44.895 -0.792 18081 545 1 . 1 1 101 101 GLY H H 101 8.685 8.685 7.736 0.949 18081 546 1 . 1 1 102 102 GLU N N 102 119.327 119.327 122.381 -3.054 18081 547 1 . 1 1 102 102 GLU HA H 102 5.151 5.151 4.629 0.522 18081 548 1 . 1 1 102 102 GLU C C 102 176.066 176.066 175.185 0.881 18081 549 1 . 1 1 102 102 GLU CA C 102 55.404 55.404 55.001 0.403 18081 550 1 . 1 1 102 102 GLU CB C 102 31.204 31.204 31.288 -0.084 18081 551 1 . 1 1 102 102 GLU H H 102 8.144 8.144 8.362 -0.218 18081 552 1 . 1 1 103 103 TYR N N 103 125.807 125.807 120.642 5.165 18081 553 1 . 1 1 103 103 TYR HA H 103 4.646 4.646 4.915 -0.269 18081 554 1 . 1 1 103 103 TYR C C 103 174.711 174.711 173.717 0.994 18081 555 1 . 1 1 103 103 TYR CA C 103 56.338 56.338 56.684 -0.346 18081 556 1 . 1 1 103 103 TYR CB C 103 40.189 40.189 40.774 -0.585 18081 557 1 . 1 1 103 103 TYR H H 103 9.687 9.687 8.385 1.302 18081 558 1 . 1 1 104 104 ARG N N 104 124.463 124.463 121.304 3.159 18081 559 1 . 1 1 104 104 ARG HA H 104 4.627 4.627 4.908 -0.281 18081 560 1 . 1 1 104 104 ARG C C 104 174.570 174.570 174.846 -0.276 18081 561 1 . 1 1 104 104 ARG CA C 104 56.765 56.765 55.192 1.573 18081 562 1 . 1 1 104 104 ARG CB C 104 31.698 31.698 32.236 -0.538 18081 563 1 . 1 1 104 104 ARG H H 104 8.902 8.902 8.457 0.445 18081 564 1 . 1 1 105 105 ILE N N 105 124.589 124.589 120.323 4.266 18081 565 1 . 1 1 105 105 ILE HA H 105 4.369 4.369 4.130 0.239 18081 566 1 . 1 1 105 105 ILE C C 105 175.576 175.576 173.987 1.589 18081 567 1 . 1 1 105 105 ILE CA C 105 59.935 59.935 61.548 -1.613 18081 568 1 . 1 1 105 105 ILE CB C 105 39.811 39.811 39.524 0.287 18081 569 1 . 1 1 105 105 ILE H H 105 8.289 8.289 8.350 -0.061 18081 570 1 . 1 1 106 106 ILE N N 106 121.777 121.777 125.151 -3.374 18081 571 1 . 1 1 106 106 ILE HA H 106 5.038 5.038 4.606 0.432 18081 572 1 . 1 1 106 106 ILE CA C 106 59.223 59.223 60.315 -1.092 18081 573 1 . 1 1 106 106 ILE CB C 106 42.475 42.475 39.456 3.019 18081 574 1 . 1 1 106 106 ILE H H 106 8.765 8.765 8.584 0.181 18081 575 1 . 1 1 109 109 GLN HA H 109 4.122 4.122 4.307 -0.185 18081 576 1 . 1 1 109 109 GLN C C 109 175.724 175.724 175.042 0.682 18081 577 1 . 1 1 109 109 GLN CA C 109 56.472 56.472 56.108 0.364 18081 578 1 . 1 1 109 109 GLN CB C 109 29.128 29.128 29.435 -0.307 18081 579 1 . 1 1 110 110 TYR N N 110 120.856 120.856 119.543 1.313 18081 580 1 . 1 1 110 110 TYR HA H 110 4.489 4.489 4.383 0.105 18081 581 1 . 1 1 110 110 TYR CA C 110 57.985 57.985 59.077 -1.092 18081 582 1 . 1 1 110 110 TYR CB C 110 37.927 37.927 38.156 -0.229 18081 583 1 . 1 1 110 110 TYR H H 110 8.191 8.191 8.337 -0.146 18081 584 1 . 1 1 111 111 CYS N N 111 120.561 120.561 119.874 0.687 18081 585 1 . 1 1 111 111 CYS HA H 111 4.383 4.383 4.249 0.134 18081 586 1 . 1 1 111 111 CYS C C 111 174.692 174.692 174.447 0.245 18081 587 1 . 1 1 111 111 CYS CA C 111 58.617 58.617 59.857 -1.240 18081 588 1 . 1 1 111 111 CYS CB C 111 27.976 27.976 28.382 -0.406 18081 589 1 . 1 1 111 111 CYS H H 111 8.166 8.166 8.339 -0.173 18081 590 1 . 1 1 112 112 GLY N N 112 222.610 222.610 217.212 5.398 18081 591 1 . 1 1 112 112 GLY C C 112 173.900 173.900 173.358 0.542 18081 592 1 . 1 1 112 112 GLY CA C 112 45.145 45.145 44.923 0.222 18081 593 1 . 1 1 112 112 GLY H H 112 16.291 16.291 15.769 0.522 18081 594 1 . 1 1 113 113 LEU N N 113 122.150 122.150 121.133 1.017 18081 595 1 . 1 1 113 113 LEU HA H 113 4.324 4.324 4.287 0.037 18081 596 1 . 1 1 113 113 LEU C C 113 178.068 178.068 176.987 1.081 18081 597 1 . 1 1 113 113 LEU CA C 113 55.718 55.718 55.548 0.170 18081 598 1 . 1 1 113 113 LEU CB C 113 42.079 42.079 42.358 -0.279 18081 599 1 . 1 1 113 113 LEU H H 113 8.179 8.179 8.051 0.128 18081 600 1 . 1 1 114 114 GLY N N 114 219.235 219.235 220.438 -1.203 18081 601 1 . 1 1 114 114 GLY C C 114 174.142 174.142 174.013 0.129 18081 602 1 . 1 1 114 114 GLY CA C 114 45.349 45.349 45.241 0.108 18081 603 1 . 1 1 114 114 GLY H H 114 16.874 16.874 16.770 0.104 18081 604 1 . 1 1 117 117 ASN N N 117 120.387 120.387 116.934 3.453 18081 605 1 . 1 1 117 117 ASN HA H 117 4.678 4.678 4.635 0.043 18081 606 1 . 1 1 117 117 ASN C C 117 174.422 174.422 174.744 -0.322 18081 607 1 . 1 1 117 117 ASN CA C 117 53.179 53.179 53.321 -0.142 18081 608 1 . 1 1 117 117 ASN CB C 117 39.015 39.015 39.105 -0.089 18081 609 1 . 1 1 117 117 ASN H H 117 8.522 8.522 8.184 0.338 18081 610 1 . 1 1 118 118 MET N N 118 240.941 240.941 239.479 1.462 18081 611 1 . 1 1 118 118 MET C C 118 173.321 173.321 175.289 -1.968 18081 612 1 . 1 1 118 118 MET CA C 118 55.360 55.360 55.308 0.052 18081 613 1 . 1 1 118 118 MET CB C 118 34.467 34.467 34.069 0.397 18081 614 1 . 1 1 118 118 MET H H 118 15.467 15.467 16.438 -0.971 18081 615 1 . 1 1 119 119 PHE N N 119 241.635 241.635 236.486 5.149 18081 616 1 . 1 1 119 119 PHE HA H 119 5.822 5.822 4.719 1.103 18081 617 1 . 1 1 119 119 PHE C C 119 174.894 174.894 176.272 -1.378 18081 618 1 . 1 1 119 119 PHE CA C 119 56.116 56.116 57.037 -0.921 18081 619 1 . 1 1 119 119 PHE CB C 119 42.377 42.377 39.714 2.663 18081 620 1 . 1 1 119 119 PHE H H 119 16.397 16.397 16.382 0.015 18081 621 1 . 1 1 120 120 GLY N N 120 220.515 220.515 221.449 -0.934 18081 622 1 . 1 1 120 120 GLY C C 120 172.817 172.817 173.463 -0.646 18081 623 1 . 1 1 120 120 GLY CA C 120 44.281 44.281 44.636 -0.355 18081 624 1 . 1 1 120 120 GLY H H 120 18.074 18.074 17.392 0.682 18081 625 1 . 1 1 121 121 THR N N 121 231.789 231.789 235.050 -3.261 18081 626 1 . 1 1 121 121 THR HA H 121 5.068 5.068 4.505 0.564 18081 627 1 . 1 1 121 121 THR C C 121 173.062 173.062 173.494 -0.432 18081 628 1 . 1 1 121 121 THR CA C 121 62.745 62.745 62.782 -0.037 18081 629 1 . 1 1 121 121 THR CB C 121 72.533 72.533 70.293 2.240 18081 630 1 . 1 1 121 121 THR H H 121 16.162 16.162 16.485 -0.323 18081 631 1 . 1 1 122 122 ILE N N 122 127.420 127.420 126.783 0.637 18081 632 1 . 1 1 122 122 ILE HA H 122 4.835 4.835 4.269 0.566 18081 633 1 . 1 1 122 122 ILE C C 122 174.260 174.260 173.138 1.122 18081 634 1 . 1 1 122 122 ILE CA C 122 60.076 60.076 60.509 -0.433 18081 635 1 . 1 1 122 122 ILE CB C 122 40.399 40.399 42.508 -2.109 18081 636 1 . 1 1 122 122 ILE H H 122 9.152 9.152 8.656 0.496 18081 637 1 . 1 1 123 123 VAL N N 123 130.032 130.032 125.140 4.892 18081 638 1 . 1 1 123 123 VAL HA H 123 4.379 4.379 4.295 0.084 18081 639 1 . 1 1 123 123 VAL C C 123 174.012 174.012 173.584 0.428 18081 640 1 . 1 1 123 123 VAL CA C 123 61.811 61.811 59.856 1.955 18081 641 1 . 1 1 123 123 VAL CB C 123 33.280 33.280 35.230 -1.950 18081 642 1 . 1 1 123 123 VAL H H 123 9.601 9.601 8.153 1.448 18081 643 1 . 1 1 124 124 VAL N N 124 128.765 128.765 128.042 0.723 18081 644 1 . 1 1 124 124 VAL HA H 124 4.699 4.699 4.479 0.220 18081 645 1 . 1 1 124 124 VAL C C 124 177.239 177.239 175.337 1.902 18081 646 1 . 1 1 124 124 VAL CA C 124 60.565 60.565 60.530 0.035 18081 647 1 . 1 1 124 124 VAL CB C 124 31.303 31.303 32.881 -1.578 18081 648 1 . 1 1 124 124 VAL H H 124 9.056 9.056 8.081 0.975 18081 649 1 . 1 1 125 125 LYS N N 125 129.953 129.953 127.640 2.313 18081 650 1 . 1 1 125 125 LYS HA H 125 4.341 4.341 4.590 -0.249 18081 651 1 . 1 1 125 125 LYS C C 125 175.317 175.317 175.932 -0.615 18081 652 1 . 1 1 125 125 LYS CA C 125 55.449 55.449 53.959 1.490 18081 653 1 . 1 1 125 125 LYS CB C 125 33.577 33.577 32.971 0.606 18081 654 1 . 1 1 125 125 LYS H H 125 8.854 8.854 8.617 0.237 18081 stop_ save_