data_25656 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25656 _Entry.PDB_ID 2N3S 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 25656 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ALA N N 2 125.535 125.535 126.304 -0.769 25656 2 1 1 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.613 -0.370 25656 3 1 1 . 1 1 2 2 ALA C C 2 177.715 177.715 176.892 0.823 25656 4 1 1 . 1 1 2 2 ALA CA C 2 52.443 52.443 52.138 0.305 25656 5 1 1 . 1 1 2 2 ALA CB C 2 19.244 19.244 19.440 -0.196 25656 6 1 1 . 1 1 2 2 ALA H H 2 8.245 8.245 8.488 -0.243 25656 7 1 1 . 1 1 3 3 LYS N N 3 120.509 120.509 120.903 -0.394 25656 8 1 1 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.376 -0.168 25656 9 1 1 . 1 1 3 3 LYS C C 3 176.294 176.294 174.918 1.376 25656 10 1 1 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.356 1.090 25656 11 1 1 . 1 1 3 3 LYS CB C 3 32.804 32.804 32.983 -0.179 25656 12 1 1 . 1 1 3 3 LYS H H 3 8.233 8.233 8.224 0.009 25656 13 1 1 . 1 1 4 4 ASP N N 4 120.299 120.299 121.133 -0.834 25656 14 1 1 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.556 0.007 25656 15 1 1 . 1 1 4 4 ASP C C 4 175.657 175.657 176.061 -0.404 25656 16 1 1 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.101 0.177 25656 17 1 1 . 1 1 4 4 ASP CB C 4 41.054 41.054 41.250 -0.196 25656 18 1 1 . 1 1 4 4 ASP H H 4 8.185 8.185 8.350 -0.165 25656 19 1 1 . 1 1 5 5 ASP N N 5 120.293 120.293 118.859 1.434 25656 20 1 1 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.614 -0.089 25656 21 1 1 . 1 1 5 5 ASP C C 5 175.396 175.396 175.866 -0.470 25656 22 1 1 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.537 0.896 25656 23 1 1 . 1 1 5 5 ASP CB C 5 41.072 41.072 40.756 0.316 25656 24 1 1 . 1 1 5 5 ASP H H 5 8.082 8.082 8.503 -0.421 25656 25 1 1 . 1 1 6 6 VAL N N 6 116.889 116.889 116.192 0.697 25656 26 1 1 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.511 -0.127 25656 27 1 1 . 1 1 6 6 VAL C C 6 175.536 175.536 175.631 -0.095 25656 28 1 1 . 1 1 6 6 VAL CA C 6 61.196 61.196 61.066 0.130 25656 29 1 1 . 1 1 6 6 VAL CB C 6 34.079 34.079 32.610 1.469 25656 30 1 1 . 1 1 6 6 VAL H H 6 7.692 7.692 7.287 0.405 25656 31 1 1 . 1 1 7 7 ILE N N 7 123.931 123.931 122.424 1.507 25656 32 1 1 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.614 -0.295 25656 33 1 1 . 1 1 7 7 ILE C C 7 174.693 174.693 174.438 0.255 25656 34 1 1 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.197 -0.226 25656 35 1 1 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.391 -0.641 25656 36 1 1 . 1 1 7 7 ILE H H 7 8.638 8.638 7.872 0.766 25656 37 1 1 . 1 1 8 8 GLN N N 8 123.223 123.223 125.461 -2.238 25656 38 1 1 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.624 0.836 25656 39 1 1 . 1 1 8 8 GLN C C 8 175.824 175.824 174.661 1.163 25656 40 1 1 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.148 -1.033 25656 41 1 1 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.147 1.574 25656 42 1 1 . 1 1 8 8 GLN H H 8 8.381 8.381 8.317 0.064 25656 43 1 1 . 1 1 9 9 MET N N 9 121.931 121.931 124.051 -2.120 25656 44 1 1 . 1 1 9 9 MET HA H 9 4.657 4.657 4.760 -0.103 25656 45 1 1 . 1 1 9 9 MET C C 9 173.567 173.567 174.874 -1.307 25656 46 1 1 . 1 1 9 9 MET CA C 9 54.778 54.778 54.334 0.444 25656 47 1 1 . 1 1 9 9 MET CB C 9 38.194 38.194 36.213 1.981 25656 48 1 1 . 1 1 9 9 MET H H 9 8.858 8.858 9.018 -0.160 25656 49 1 1 . 1 1 10 10 GLN N N 10 119.772 119.772 121.286 -1.514 25656 50 1 1 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.679 0.370 25656 51 1 1 . 1 1 10 10 GLN C C 10 175.878 175.878 175.504 0.374 25656 52 1 1 . 1 1 10 10 GLN CA C 10 54.620 54.620 54.999 -0.379 25656 53 1 1 . 1 1 10 10 GLN CB C 10 30.978 30.978 29.222 1.756 25656 54 1 1 . 1 1 10 10 GLN H H 10 8.768 8.768 8.600 0.168 25656 55 1 1 . 1 1 11 11 GLY N N 11 106.316 106.316 111.191 -4.875 25656 56 1 1 . 1 1 11 11 GLY C C 11 170.761 170.761 171.753 -0.992 25656 57 1 1 . 1 1 11 11 GLY CA C 11 45.623 45.623 44.245 1.379 25656 58 1 1 . 1 1 11 11 GLY H H 11 8.708 8.708 8.780 -0.072 25656 59 1 1 . 1 1 12 12 GLU N N 12 120.360 120.360 119.619 0.741 25656 60 1 1 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.373 -0.238 25656 61 1 1 . 1 1 12 12 GLU C C 12 175.783 175.783 176.681 -0.898 25656 62 1 1 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.489 0.092 25656 63 1 1 . 1 1 12 12 GLU CB C 12 33.758 33.758 34.028 -0.270 25656 64 1 1 . 1 1 12 12 GLU H H 12 8.438 8.438 8.510 -0.072 25656 65 1 1 . 1 1 13 13 VAL N N 13 126.730 126.730 126.099 0.631 25656 66 1 1 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.105 -0.281 25656 67 1 1 . 1 1 13 13 VAL C C 13 176.691 176.691 176.003 0.688 25656 68 1 1 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.826 -0.137 25656 69 1 1 . 1 1 13 13 VAL CB C 13 31.525 31.525 32.086 -0.561 25656 70 1 1 . 1 1 13 13 VAL H H 13 8.957 8.957 8.738 0.219 25656 71 1 1 . 1 1 14 14 ILE N N 14 124.542 124.542 127.015 -2.473 25656 72 1 1 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.428 0.148 25656 73 1 1 . 1 1 14 14 ILE C C 14 175.731 175.731 175.376 0.355 25656 74 1 1 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.682 0.514 25656 75 1 1 . 1 1 14 14 ILE CB C 14 39.570 39.570 39.844 -0.274 25656 76 1 1 . 1 1 14 14 ILE H H 14 9.314 9.314 8.927 0.387 25656 77 1 1 . 1 1 15 15 GLU N N 15 119.317 119.317 119.430 -0.113 25656 78 1 1 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.643 -0.272 25656 79 1 1 . 1 1 15 15 GLU C C 15 173.127 173.127 174.253 -1.126 25656 80 1 1 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.174 1.441 25656 81 1 1 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.788 0.502 25656 82 1 1 . 1 1 15 15 GLU H H 15 7.442 7.442 7.661 -0.219 25656 83 1 1 . 1 1 16 16 ASN N N 16 127.204 127.204 120.872 6.332 25656 84 1 1 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.908 -0.219 25656 85 1 1 . 1 1 16 16 ASN C C 16 174.024 174.024 174.208 -0.184 25656 86 1 1 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.774 0.266 25656 87 1 1 . 1 1 16 16 ASN CB C 16 37.673 37.673 40.191 -2.518 25656 88 1 1 . 1 1 16 16 ASN H H 16 9.025 9.025 8.713 0.312 25656 89 1 1 . 1 1 17 17 LEU N N 17 125.683 125.683 123.565 2.118 25656 90 1 1 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.801 -0.154 25656 91 1 1 . 1 1 17 17 LEU C C 17 174.040 174.040 174.399 -0.359 25656 92 1 1 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.447 1.859 25656 93 1 1 . 1 1 17 17 LEU CB C 17 37.687 37.687 44.613 -6.926 25656 94 1 1 . 1 1 17 17 LEU H H 17 8.034 8.034 7.551 0.483 25656 95 1 1 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.313 -0.025 25656 96 1 1 . 1 1 18 18 PRO C C 18 176.016 176.016 176.849 -0.833 25656 97 1 1 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.677 0.690 25656 98 1 1 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.223 -0.132 25656 99 1 1 . 1 1 19 19 ASN N N 19 116.522 116.522 115.718 0.804 25656 100 1 1 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.334 -0.089 25656 101 1 1 . 1 1 19 19 ASN C C 19 174.993 174.993 174.313 0.680 25656 102 1 1 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.270 0.301 25656 103 1 1 . 1 1 19 19 ASN CB C 19 36.724 36.724 37.291 -0.567 25656 104 1 1 . 1 1 19 19 ASN H H 19 8.567 8.567 8.434 0.133 25656 105 1 1 . 1 1 20 20 ALA N N 20 118.637 118.637 114.468 4.169 25656 106 1 1 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.979 -0.258 25656 107 1 1 . 1 1 20 20 ALA C C 20 175.092 175.092 176.473 -1.381 25656 108 1 1 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.454 -0.477 25656 109 1 1 . 1 1 20 20 ALA CB C 20 17.104 17.104 18.033 -0.929 25656 110 1 1 . 1 1 20 20 ALA H H 20 8.525 8.525 8.205 0.320 25656 111 1 1 . 1 1 21 21 THR N N 21 108.302 108.302 113.191 -4.889 25656 112 1 1 . 1 1 21 21 THR HA H 21 4.885 4.885 5.509 -0.624 25656 113 1 1 . 1 1 21 21 THR C C 21 172.847 172.847 173.551 -0.704 25656 114 1 1 . 1 1 21 21 THR CA C 21 60.830 60.830 61.508 -0.678 25656 115 1 1 . 1 1 21 21 THR CB C 21 71.112 71.112 70.628 0.484 25656 116 1 1 . 1 1 21 21 THR H H 21 6.252 6.252 7.203 -0.951 25656 117 1 1 . 1 1 23 23 ARG N N 23 123.805 123.805 121.593 2.212 25656 118 1 1 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.560 -0.630 25656 119 1 1 . 1 1 23 23 ARG C C 23 174.832 174.832 174.128 0.704 25656 120 1 1 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.425 1.993 25656 121 1 1 . 1 1 23 23 ARG CB C 23 31.445 31.445 34.104 -2.659 25656 122 1 1 . 1 1 23 23 ARG H H 23 8.987 8.987 8.500 0.487 25656 123 1 1 . 1 1 24 24 VAL N N 24 127.572 127.572 124.030 3.542 25656 124 1 1 . 1 1 24 24 VAL C C 24 173.297 173.297 173.302 -0.005 25656 125 1 1 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.536 1.303 25656 126 1 1 . 1 1 24 24 VAL CB C 24 34.641 34.641 36.056 -1.415 25656 127 1 1 . 1 1 24 24 VAL H H 24 9.349 9.349 8.906 0.443 25656 128 1 1 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.274 -0.070 25656 129 1 1 . 1 1 26 26 LEU C C 26 174.549 174.549 178.185 -3.636 25656 130 1 1 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.432 0.968 25656 131 1 1 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.439 -6.419 25656 132 1 1 . 1 1 27 27 GLU N N 27 119.804 119.804 119.072 0.732 25656 133 1 1 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.169 -0.091 25656 134 1 1 . 1 1 27 27 GLU C C 27 176.188 176.188 177.584 -1.396 25656 135 1 1 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.368 0.156 25656 136 1 1 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.700 -0.092 25656 137 1 1 . 1 1 27 27 GLU H H 27 8.393 8.393 8.790 -0.397 25656 138 1 1 . 1 1 28 28 ASN N N 28 113.245 113.245 116.367 -3.122 25656 139 1 1 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.649 -0.088 25656 140 1 1 . 1 1 28 28 ASN C C 28 176.329 176.329 175.283 1.046 25656 141 1 1 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.446 -1.145 25656 142 1 1 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.466 -0.999 25656 143 1 1 . 1 1 28 28 ASN H H 28 7.100 7.100 8.328 -1.228 25656 144 1 1 . 1 1 29 29 GLY N N 29 108.088 108.088 105.339 2.749 25656 145 1 1 . 1 1 29 29 GLY C C 29 174.238 174.238 173.870 0.368 25656 146 1 1 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.840 0.226 25656 147 1 1 . 1 1 29 29 GLY H H 29 8.228 8.228 7.923 0.305 25656 148 1 1 . 1 1 30 30 HIS N N 30 119.594 119.594 118.856 0.738 25656 149 1 1 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.557 -0.015 25656 150 1 1 . 1 1 30 30 HIS C C 30 173.598 173.598 174.758 -1.160 25656 151 1 1 . 1 1 30 30 HIS CA C 30 55.603 55.603 55.535 0.069 25656 152 1 1 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.327 -0.661 25656 153 1 1 . 1 1 30 30 HIS H H 30 7.840 7.840 7.580 0.260 25656 154 1 1 . 1 1 31 31 VAL N N 31 123.476 123.476 119.536 3.940 25656 155 1 1 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.932 0.056 25656 156 1 1 . 1 1 31 31 VAL C C 31 176.217 176.217 175.612 0.605 25656 157 1 1 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.480 0.868 25656 158 1 1 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.223 -0.615 25656 159 1 1 . 1 1 31 31 VAL H H 31 8.384 8.384 8.283 0.101 25656 160 1 1 . 1 1 32 32 VAL N N 32 119.944 119.944 120.969 -1.025 25656 161 1 1 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.539 0.152 25656 162 1 1 . 1 1 32 32 VAL C C 32 173.802 173.802 174.719 -0.917 25656 163 1 1 . 1 1 32 32 VAL CA C 32 58.327 58.327 59.383 -1.056 25656 164 1 1 . 1 1 32 32 VAL CB C 32 35.466 35.466 34.230 1.236 25656 165 1 1 . 1 1 32 32 VAL H H 32 8.933 8.933 8.982 -0.049 25656 166 1 1 . 1 1 33 33 LEU N N 33 122.390 122.390 120.865 1.525 25656 167 1 1 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.588 -0.523 25656 168 1 1 . 1 1 33 33 LEU C C 33 173.779 173.779 176.555 -2.776 25656 169 1 1 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.160 5.256 25656 170 1 1 . 1 1 33 33 LEU CB C 33 35.455 35.455 43.789 -8.334 25656 171 1 1 . 1 1 33 33 LEU H H 33 8.075 8.075 8.237 -0.162 25656 172 1 1 . 1 1 34 34 GLY N N 34 111.534 111.534 108.918 2.616 25656 173 1 1 . 1 1 34 34 GLY C C 34 171.754 171.754 172.374 -0.620 25656 174 1 1 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.414 -1.662 25656 175 1 1 . 1 1 34 34 GLY H H 34 9.710 9.710 8.741 0.969 25656 176 1 1 . 1 1 35 35 HIS N N 35 117.412 117.412 116.764 0.648 25656 177 1 1 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.726 -0.330 25656 178 1 1 . 1 1 35 35 HIS C C 35 173.973 173.973 173.386 0.587 25656 179 1 1 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.417 0.991 25656 180 1 1 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.989 -0.554 25656 181 1 1 . 1 1 35 35 HIS H H 35 8.002 8.002 8.163 -0.161 25656 182 1 1 . 1 1 36 36 ILE N N 36 122.073 122.073 123.430 -1.357 25656 183 1 1 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.418 -0.078 25656 184 1 1 . 1 1 36 36 ILE C C 36 175.549 175.549 174.795 0.754 25656 185 1 1 . 1 1 36 36 ILE CA C 36 61.351 61.351 59.748 1.603 25656 186 1 1 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.842 -0.697 25656 187 1 1 . 1 1 36 36 ILE H H 36 9.102 9.102 8.217 0.885 25656 188 1 1 . 1 1 37 37 SER N N 37 121.153 121.153 123.822 -2.669 25656 189 1 1 . 1 1 37 37 SER HA H 37 4.519 4.519 4.879 -0.360 25656 190 1 1 . 1 1 37 37 SER C C 37 174.975 174.975 172.677 2.298 25656 191 1 1 . 1 1 37 37 SER CA C 37 57.656 57.656 57.731 -0.076 25656 192 1 1 . 1 1 37 37 SER CB C 37 64.856 64.856 64.865 -0.009 25656 193 1 1 . 1 1 37 37 SER H H 37 8.474 8.474 8.888 -0.414 25656 194 1 1 . 1 1 38 38 GLY N N 38 112.083 112.083 109.960 2.123 25656 195 1 1 . 1 1 38 38 GLY C C 38 175.790 175.790 173.750 2.040 25656 196 1 1 . 1 1 38 38 GLY CA C 38 46.419 46.419 44.992 1.427 25656 197 1 1 . 1 1 38 38 GLY H H 38 8.921 8.921 8.116 0.805 25656 198 1 1 . 1 1 39 39 LYS N N 39 121.180 121.180 120.587 0.593 25656 199 1 1 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.284 -0.178 25656 200 1 1 . 1 1 39 39 LYS C C 39 178.014 178.014 178.666 -0.652 25656 201 1 1 . 1 1 39 39 LYS CA C 39 58.109 58.109 58.563 -0.454 25656 202 1 1 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.684 -0.329 25656 203 1 1 . 1 1 39 39 LYS H H 39 8.361 8.361 8.621 -0.261 25656 204 1 1 . 1 1 40 40 MET N N 40 118.268 118.268 117.801 0.467 25656 205 1 1 . 1 1 40 40 MET HA H 40 4.320 4.320 4.172 0.148 25656 206 1 1 . 1 1 40 40 MET C C 40 177.027 177.027 177.990 -0.963 25656 207 1 1 . 1 1 40 40 MET CA C 40 56.473 56.473 57.870 -1.397 25656 208 1 1 . 1 1 40 40 MET CB C 40 32.505 32.505 30.755 1.750 25656 209 1 1 . 1 1 40 40 MET H H 40 7.888 7.888 8.434 -0.546 25656 210 1 1 . 1 1 41 41 ARG N N 41 119.656 119.656 118.478 1.178 25656 211 1 1 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.285 -0.270 25656 212 1 1 . 1 1 41 41 ARG C C 41 177.123 177.123 178.067 -0.944 25656 213 1 1 . 1 1 41 41 ARG CA C 41 57.762 57.762 57.768 -0.006 25656 214 1 1 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.540 0.518 25656 215 1 1 . 1 1 41 41 ARG H H 41 7.872 7.872 8.467 -0.595 25656 216 1 1 . 1 1 42 42 MET N N 42 117.106 117.106 116.843 0.263 25656 217 1 1 . 1 1 42 42 MET HA H 42 4.218 4.218 4.315 -0.097 25656 218 1 1 . 1 1 42 42 MET C C 42 176.078 176.078 175.431 0.647 25656 219 1 1 . 1 1 42 42 MET CA C 42 56.295 56.295 55.036 1.259 25656 220 1 1 . 1 1 42 42 MET CB C 42 32.024 32.024 32.019 0.005 25656 221 1 1 . 1 1 42 42 MET H H 42 7.839 7.839 7.820 0.019 25656 222 1 1 . 1 1 43 43 HIS N N 43 117.200 117.200 118.255 -1.055 25656 223 1 1 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.456 0.029 25656 224 1 1 . 1 1 43 43 HIS C C 43 174.357 174.357 174.856 -0.499 25656 225 1 1 . 1 1 43 43 HIS CA C 43 55.848 55.848 55.593 0.255 25656 226 1 1 . 1 1 43 43 HIS CB C 43 30.005 30.005 30.055 -0.050 25656 227 1 1 . 1 1 43 43 HIS H H 43 7.720 7.720 7.154 0.566 25656 228 1 1 . 1 1 44 44 TYR N N 44 119.368 119.368 115.789 3.579 25656 229 1 1 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.167 0.175 25656 230 1 1 . 1 1 44 44 TYR C C 44 175.078 175.078 175.365 -0.287 25656 231 1 1 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.518 -0.283 25656 232 1 1 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.053 2.843 25656 233 1 1 . 1 1 44 44 TYR H H 44 7.817 7.817 7.408 0.409 25656 234 1 1 . 1 1 45 45 ILE N N 45 122.575 122.575 114.556 8.019 25656 235 1 1 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.181 -0.302 25656 236 1 1 . 1 1 45 45 ILE C C 45 174.785 174.785 176.862 -2.077 25656 237 1 1 . 1 1 45 45 ILE CA C 45 60.823 60.823 61.461 -0.637 25656 238 1 1 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.522 0.379 25656 239 1 1 . 1 1 45 45 ILE H H 45 7.476 7.476 7.888 -0.412 25656 240 1 1 . 1 1 46 46 ARG N N 46 125.127 125.127 122.826 2.301 25656 241 1 1 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.642 -0.412 25656 242 1 1 . 1 1 46 46 ARG C C 46 174.757 174.757 175.384 -0.627 25656 243 1 1 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.599 0.196 25656 244 1 1 . 1 1 46 46 ARG CB C 46 30.700 30.700 30.702 -0.002 25656 245 1 1 . 1 1 46 46 ARG H H 46 8.112 8.112 8.432 -0.320 25656 246 1 1 . 1 1 47 47 ILE N N 47 125.531 125.531 124.511 1.020 25656 247 1 1 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.334 -0.230 25656 248 1 1 . 1 1 47 47 ILE C C 47 174.500 174.500 175.294 -0.794 25656 249 1 1 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.713 -0.133 25656 250 1 1 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.364 -0.965 25656 251 1 1 . 1 1 47 47 ILE H H 47 7.781 7.781 8.537 -0.756 25656 252 1 1 . 1 1 48 48 LEU N N 48 129.762 129.762 125.441 4.321 25656 253 1 1 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.852 0.058 25656 254 1 1 . 1 1 48 48 LEU C C 48 174.536 174.536 174.103 0.433 25656 255 1 1 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.435 9.214 25656 256 1 1 . 1 1 48 48 LEU CB C 48 38.412 38.412 45.665 -7.253 25656 257 1 1 . 1 1 48 48 LEU H H 48 8.754 8.754 8.248 0.506 25656 258 1 1 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.447 -0.600 25656 259 1 1 . 1 1 49 49 PRO C C 49 177.177 177.177 177.184 -0.007 25656 260 1 1 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.466 0.310 25656 261 1 1 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.543 -0.436 25656 262 1 1 . 1 1 50 50 GLY N N 50 115.039 115.039 113.746 1.293 25656 263 1 1 . 1 1 50 50 GLY C C 50 174.684 174.684 173.329 1.355 25656 264 1 1 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.709 -0.367 25656 265 1 1 . 1 1 50 50 GLY H H 50 9.247 9.247 8.361 0.886 25656 266 1 1 . 1 1 51 51 ASP N N 51 122.122 122.122 121.166 0.956 25656 267 1 1 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.699 -0.207 25656 268 1 1 . 1 1 51 51 ASP C C 51 175.571 175.571 175.341 0.230 25656 269 1 1 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.513 1.791 25656 270 1 1 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.993 -2.169 25656 271 1 1 . 1 1 51 51 ASP H H 51 8.157 8.157 7.654 0.503 25656 272 1 1 . 1 1 52 52 LYS N N 52 121.252 121.252 124.980 -3.728 25656 273 1 1 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.704 0.278 25656 274 1 1 . 1 1 52 52 LYS C C 52 176.797 176.797 176.481 0.316 25656 275 1 1 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.715 -1.970 25656 276 1 1 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.513 -0.277 25656 277 1 1 . 1 1 52 52 LYS H H 52 8.501 8.501 8.722 -0.221 25656 278 1 1 . 1 1 53 53 VAL N N 53 114.328 114.328 119.793 -5.465 25656 279 1 1 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.615 0.234 25656 280 1 1 . 1 1 53 53 VAL C C 53 174.261 174.261 173.945 0.316 25656 281 1 1 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.566 -1.397 25656 282 1 1 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.990 -0.320 25656 283 1 1 . 1 1 53 53 VAL H H 53 8.552 8.552 9.169 -0.617 25656 284 1 1 . 1 1 54 54 THR N N 54 117.790 117.790 118.006 -0.216 25656 285 1 1 . 1 1 54 54 THR HA H 54 4.642 4.642 5.408 -0.766 25656 286 1 1 . 1 1 54 54 THR C C 54 173.653 173.653 173.956 -0.303 25656 287 1 1 . 1 1 54 54 THR CA C 54 62.276 62.276 61.557 0.719 25656 288 1 1 . 1 1 54 54 THR CB C 54 69.042 69.042 70.131 -1.089 25656 289 1 1 . 1 1 54 54 THR H H 54 8.421 8.421 8.123 0.298 25656 290 1 1 . 1 1 55 55 VAL N N 55 120.671 120.671 118.884 1.787 25656 291 1 1 . 1 1 55 55 VAL HA H 55 5.235 5.235 4.955 0.280 25656 292 1 1 . 1 1 55 55 VAL C C 55 174.027 174.027 174.060 -0.033 25656 293 1 1 . 1 1 55 55 VAL CA C 55 57.892 57.892 60.092 -2.200 25656 294 1 1 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.392 -1.070 25656 295 1 1 . 1 1 55 55 VAL H H 55 9.096 9.096 8.919 0.177 25656 296 1 1 . 1 1 56 56 GLU N N 56 121.070 121.070 125.895 -4.825 25656 297 1 1 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.093 0.092 25656 298 1 1 . 1 1 56 56 GLU C C 56 175.974 175.974 175.474 0.500 25656 299 1 1 . 1 1 56 56 GLU CA C 56 54.352 54.352 54.798 -0.446 25656 300 1 1 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.084 0.777 25656 301 1 1 . 1 1 56 56 GLU H H 56 9.094 9.094 8.462 0.632 25656 302 1 1 . 1 1 57 57 LEU N N 57 124.646 124.646 129.236 -4.590 25656 303 1 1 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.452 0.367 25656 304 1 1 . 1 1 57 57 LEU C C 57 175.906 175.906 175.511 0.395 25656 305 1 1 . 1 1 57 57 LEU CA C 57 54.485 54.485 55.005 -0.520 25656 306 1 1 . 1 1 57 57 LEU CB C 57 43.356 43.356 44.053 -0.697 25656 307 1 1 . 1 1 57 57 LEU H H 57 9.030 9.030 8.038 0.992 25656 308 1 1 . 1 1 58 58 THR N N 58 115.858 115.858 117.407 -1.549 25656 309 1 1 . 1 1 58 58 THR HA H 58 4.841 4.841 4.904 -0.063 25656 310 1 1 . 1 1 58 58 THR C C 58 174.000 174.000 174.128 -0.128 25656 311 1 1 . 1 1 58 58 THR CA C 58 58.292 58.292 58.908 -0.616 25656 312 1 1 . 1 1 58 58 THR CB C 58 68.768 68.768 68.798 -0.030 25656 313 1 1 . 1 1 58 58 THR H H 58 8.743 8.743 7.920 0.823 25656 314 1 1 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.410 -0.424 25656 315 1 1 . 1 1 59 59 PRO C C 59 176.595 176.595 177.504 -0.909 25656 316 1 1 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.051 0.100 25656 317 1 1 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.806 -0.096 25656 318 1 1 . 1 1 60 60 TYR N N 60 113.107 113.107 118.562 -5.455 25656 319 1 1 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.261 0.118 25656 320 1 1 . 1 1 60 60 TYR C C 60 175.399 175.399 175.133 0.266 25656 321 1 1 . 1 1 60 60 TYR CA C 60 57.467 57.467 60.185 -2.718 25656 322 1 1 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.887 -1.277 25656 323 1 1 . 1 1 60 60 TYR H H 60 7.112 7.112 8.120 -1.008 25656 324 1 1 . 1 1 61 61 ASP N N 61 118.812 118.812 114.043 4.769 25656 325 1 1 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.725 -0.078 25656 326 1 1 . 1 1 61 61 ASP C C 61 175.315 175.315 175.230 0.085 25656 327 1 1 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.898 -0.127 25656 328 1 1 . 1 1 61 61 ASP CB C 61 40.718 40.718 42.605 -1.887 25656 329 1 1 . 1 1 61 61 ASP H H 61 7.389 7.389 7.678 -0.289 25656 330 1 1 . 1 1 62 62 LEU N N 62 123.980 123.980 121.371 2.609 25656 331 1 1 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.508 -0.216 25656 332 1 1 . 1 1 62 62 LEU C C 62 175.285 175.285 176.177 -0.892 25656 333 1 1 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.191 -1.365 25656 334 1 1 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.491 -1.748 25656 335 1 1 . 1 1 62 62 LEU H H 62 8.546 8.546 8.351 0.195 25656 336 1 1 . 1 1 63 63 SER N N 63 113.177 113.177 113.722 -0.545 25656 337 1 1 . 1 1 63 63 SER HA H 63 4.506 4.506 4.686 -0.180 25656 338 1 1 . 1 1 63 63 SER C C 63 174.295 174.295 173.562 0.733 25656 339 1 1 . 1 1 63 63 SER CA C 63 59.561 59.561 57.187 2.374 25656 340 1 1 . 1 1 63 63 SER CB C 63 64.377 64.377 62.950 1.427 25656 341 1 1 . 1 1 63 63 SER H H 63 8.307 8.307 8.045 0.262 25656 342 1 1 . 1 1 64 64 ARG N N 64 121.271 121.271 116.747 4.524 25656 343 1 1 . 1 1 64 64 ARG HA H 64 4.996 4.996 5.054 -0.058 25656 344 1 1 . 1 1 64 64 ARG C C 64 174.350 174.350 173.764 0.586 25656 345 1 1 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.570 -0.614 25656 346 1 1 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.468 1.304 25656 347 1 1 . 1 1 64 64 ARG H H 64 7.477 7.477 7.323 0.154 25656 348 1 1 . 1 1 65 65 ALA N N 65 121.899 121.899 125.747 -3.848 25656 349 1 1 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.106 -0.285 25656 350 1 1 . 1 1 65 65 ALA C C 65 175.764 175.764 175.349 0.415 25656 351 1 1 . 1 1 65 65 ALA CA C 65 51.114 51.114 49.940 1.174 25656 352 1 1 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.406 -0.959 25656 353 1 1 . 1 1 65 65 ALA H H 65 8.371 8.371 8.764 -0.393 25656 354 1 1 . 1 1 66 66 ARG N N 66 120.933 120.933 118.138 2.795 25656 355 1 1 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.435 0.247 25656 356 1 1 . 1 1 66 66 ARG C C 66 175.669 175.669 175.270 0.399 25656 357 1 1 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.559 -0.357 25656 358 1 1 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.480 1.217 25656 359 1 1 . 1 1 66 66 ARG H H 66 8.531 8.531 8.508 0.023 25656 360 1 1 . 1 1 67 67 ILE N N 67 125.277 125.277 124.594 0.683 25656 361 1 1 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.018 0.514 25656 362 1 1 . 1 1 67 67 ILE C C 67 174.856 174.856 175.480 -0.624 25656 363 1 1 . 1 1 67 67 ILE CA C 67 60.726 60.726 60.760 -0.033 25656 364 1 1 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.237 -1.722 25656 365 1 1 . 1 1 67 67 ILE H H 67 8.720 8.720 7.915 0.805 25656 366 1 1 . 1 1 68 68 VAL N N 68 128.292 128.292 127.602 0.690 25656 367 1 1 . 1 1 68 68 VAL HA H 68 4.672 4.672 3.980 0.692 25656 368 1 1 . 1 1 68 68 VAL C C 68 176.302 176.302 176.463 -0.161 25656 369 1 1 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.407 -5.380 25656 370 1 1 . 1 1 68 68 VAL CB C 68 33.695 33.695 33.739 -0.044 25656 371 1 1 . 1 1 68 68 VAL H H 68 9.141 9.141 8.482 0.659 25656 372 1 1 . 1 1 69 69 PHE N N 69 129.227 129.227 122.273 6.954 25656 373 1 1 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.356 0.323 25656 374 1 1 . 1 1 69 69 PHE C C 69 176.295 176.295 176.354 -0.059 25656 375 1 1 . 1 1 69 69 PHE CA C 69 55.054 55.054 57.837 -2.783 25656 376 1 1 . 1 1 69 69 PHE CB C 69 33.698 33.698 38.371 -4.673 25656 377 1 1 . 1 1 69 69 PHE H H 69 9.256 9.256 7.807 1.449 25656 378 1 1 . 1 1 70 70 ARG N N 70 121.729 121.729 118.060 3.669 25656 379 1 1 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.127 -0.100 25656 380 1 1 . 1 1 70 70 ARG C C 70 176.193 176.193 175.720 0.473 25656 381 1 1 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.528 0.132 25656 382 1 1 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.119 -0.109 25656 383 1 1 . 1 1 70 70 ARG H H 70 8.277 8.277 8.433 -0.156 25656 384 1 1 . 1 1 71 71 ALA N N 71 124.554 124.554 124.438 0.116 25656 385 1 1 . 1 1 71 71 ALA C C 71 177.627 177.627 177.198 0.429 25656 386 1 1 . 1 1 71 71 ALA CA C 71 52.479 52.479 52.060 0.419 25656 387 1 1 . 1 1 71 71 ALA CB C 71 19.027 19.027 19.452 -0.425 25656 388 1 1 . 1 1 71 71 ALA H H 71 8.166 8.166 7.905 0.261 25656 389 1 2 . 1 1 2 2 ALA N N 2 125.535 125.535 123.365 2.170 25656 390 1 2 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.888 -0.645 25656 391 1 2 . 1 1 2 2 ALA C C 2 177.715 177.715 176.327 1.388 25656 392 1 2 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.495 0.949 25656 393 1 2 . 1 1 2 2 ALA CB C 2 19.244 19.244 20.820 -1.577 25656 394 1 2 . 1 1 2 2 ALA H H 2 8.245 8.245 7.964 0.281 25656 395 1 2 . 1 1 3 3 LYS N N 3 120.509 120.509 119.721 0.788 25656 396 1 2 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.937 -0.729 25656 397 1 2 . 1 1 3 3 LYS C C 3 176.294 176.294 174.508 1.786 25656 398 1 2 . 1 1 3 3 LYS CA C 3 56.446 56.446 56.098 0.348 25656 399 1 2 . 1 1 3 3 LYS CB C 3 32.804 32.804 35.189 -2.385 25656 400 1 2 . 1 1 3 3 LYS H H 3 8.233 8.233 9.161 -0.928 25656 401 1 2 . 1 1 4 4 ASP N N 4 120.299 120.299 118.284 2.015 25656 402 1 2 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.881 -0.318 25656 403 1 2 . 1 1 4 4 ASP C C 4 175.657 175.657 174.165 1.492 25656 404 1 2 . 1 1 4 4 ASP CA C 4 54.278 54.278 53.599 0.679 25656 405 1 2 . 1 1 4 4 ASP CB C 4 41.054 41.054 43.103 -2.049 25656 406 1 2 . 1 1 4 4 ASP H H 4 8.185 8.185 8.593 -0.408 25656 407 1 2 . 1 1 5 5 ASP N N 5 120.293 120.293 120.431 -0.138 25656 408 1 2 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.740 -0.215 25656 409 1 2 . 1 1 5 5 ASP C C 5 175.396 175.396 174.443 0.953 25656 410 1 2 . 1 1 5 5 ASP CA C 5 54.433 54.433 54.559 -0.126 25656 411 1 2 . 1 1 5 5 ASP CB C 5 41.072 41.072 41.291 -0.219 25656 412 1 2 . 1 1 5 5 ASP H H 5 8.082 8.082 8.447 -0.365 25656 413 1 2 . 1 1 6 6 VAL N N 6 116.889 116.889 119.006 -2.117 25656 414 1 2 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.635 -0.251 25656 415 1 2 . 1 1 6 6 VAL C C 6 175.536 175.536 174.881 0.655 25656 416 1 2 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.564 0.632 25656 417 1 2 . 1 1 6 6 VAL CB C 6 34.079 34.079 33.160 0.919 25656 418 1 2 . 1 1 6 6 VAL H H 6 7.692 7.692 7.836 -0.144 25656 419 1 2 . 1 1 7 7 ILE N N 7 123.931 123.931 122.729 1.202 25656 420 1 2 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.575 -0.256 25656 421 1 2 . 1 1 7 7 ILE C C 7 174.693 174.693 175.324 -0.631 25656 422 1 2 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.303 -0.332 25656 423 1 2 . 1 1 7 7 ILE CB C 7 40.750 40.750 39.716 1.034 25656 424 1 2 . 1 1 7 7 ILE H H 7 8.638 8.638 7.963 0.675 25656 425 1 2 . 1 1 8 8 GLN N N 8 123.223 123.223 126.090 -2.867 25656 426 1 2 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.437 1.023 25656 427 1 2 . 1 1 8 8 GLN C C 8 175.824 175.824 175.105 0.719 25656 428 1 2 . 1 1 8 8 GLN CA C 8 54.115 54.115 56.000 -1.885 25656 429 1 2 . 1 1 8 8 GLN CB C 8 30.721 30.721 28.959 1.762 25656 430 1 2 . 1 1 8 8 GLN H H 8 8.381 8.381 8.483 -0.102 25656 431 1 2 . 1 1 9 9 MET N N 9 121.931 121.931 125.161 -3.230 25656 432 1 2 . 1 1 9 9 MET HA H 9 4.657 4.657 4.775 -0.118 25656 433 1 2 . 1 1 9 9 MET C C 9 173.567 173.567 174.336 -0.769 25656 434 1 2 . 1 1 9 9 MET CA C 9 54.778 54.778 54.057 0.721 25656 435 1 2 . 1 1 9 9 MET CB C 9 38.194 38.194 36.213 1.981 25656 436 1 2 . 1 1 9 9 MET H H 9 8.858 8.858 8.996 -0.138 25656 437 1 2 . 1 1 10 10 GLN N N 10 119.772 119.772 122.311 -2.539 25656 438 1 2 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.734 0.315 25656 439 1 2 . 1 1 10 10 GLN C C 10 175.878 175.878 175.644 0.234 25656 440 1 2 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.630 -1.010 25656 441 1 2 . 1 1 10 10 GLN CB C 10 30.978 30.978 30.103 0.875 25656 442 1 2 . 1 1 10 10 GLN H H 10 8.768 8.768 8.641 0.127 25656 443 1 2 . 1 1 11 11 GLY N N 11 106.316 106.316 112.017 -5.701 25656 444 1 2 . 1 1 11 11 GLY C C 11 170.761 170.761 171.807 -1.046 25656 445 1 2 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.794 1.829 25656 446 1 2 . 1 1 11 11 GLY H H 11 8.708 8.708 8.697 0.011 25656 447 1 2 . 1 1 12 12 GLU N N 12 120.360 120.360 119.795 0.565 25656 448 1 2 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.159 -0.024 25656 449 1 2 . 1 1 12 12 GLU C C 12 175.783 175.783 176.397 -0.614 25656 450 1 2 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.831 -0.250 25656 451 1 2 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.630 0.128 25656 452 1 2 . 1 1 12 12 GLU H H 12 8.438 8.438 8.411 0.027 25656 453 1 2 . 1 1 13 13 VAL N N 13 126.730 126.730 126.614 0.116 25656 454 1 2 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.009 -0.185 25656 455 1 2 . 1 1 13 13 VAL C C 13 176.691 176.691 175.160 1.531 25656 456 1 2 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.624 0.065 25656 457 1 2 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.715 -0.190 25656 458 1 2 . 1 1 13 13 VAL H H 13 8.957 8.957 8.756 0.201 25656 459 1 2 . 1 1 14 14 ILE N N 14 124.542 124.542 128.693 -4.151 25656 460 1 2 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.387 0.189 25656 461 1 2 . 1 1 14 14 ILE C C 14 175.731 175.731 175.394 0.337 25656 462 1 2 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.542 0.654 25656 463 1 2 . 1 1 14 14 ILE CB C 14 39.570 39.570 40.199 -0.629 25656 464 1 2 . 1 1 14 14 ILE H H 14 9.314 9.314 8.592 0.722 25656 465 1 2 . 1 1 15 15 GLU N N 15 119.317 119.317 119.912 -0.595 25656 466 1 2 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.719 -0.348 25656 467 1 2 . 1 1 15 15 GLU C C 15 173.127 173.127 174.330 -1.203 25656 468 1 2 . 1 1 15 15 GLU CA C 15 56.615 56.615 54.959 1.656 25656 469 1 2 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.517 0.773 25656 470 1 2 . 1 1 15 15 GLU H H 15 7.442 7.442 7.960 -0.518 25656 471 1 2 . 1 1 16 16 ASN N N 16 127.204 127.204 119.759 7.445 25656 472 1 2 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.919 -0.230 25656 473 1 2 . 1 1 16 16 ASN C C 16 174.024 174.024 174.100 -0.076 25656 474 1 2 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.638 0.402 25656 475 1 2 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.880 -2.207 25656 476 1 2 . 1 1 16 16 ASN H H 16 9.025 9.025 8.648 0.377 25656 477 1 2 . 1 1 17 17 LEU N N 17 125.683 125.683 122.833 2.850 25656 478 1 2 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.799 -0.152 25656 479 1 2 . 1 1 17 17 LEU C C 17 174.040 174.040 175.115 -1.075 25656 480 1 2 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.590 1.716 25656 481 1 2 . 1 1 17 17 LEU CB C 17 37.687 37.687 43.895 -6.208 25656 482 1 2 . 1 1 17 17 LEU H H 17 8.034 8.034 7.519 0.515 25656 483 1 2 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.366 -0.078 25656 484 1 2 . 1 1 18 18 PRO C C 18 176.016 176.016 176.215 -0.199 25656 485 1 2 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.882 0.485 25656 486 1 2 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.067 0.024 25656 487 1 2 . 1 1 19 19 ASN N N 19 116.522 116.522 113.965 2.557 25656 488 1 2 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.381 -0.136 25656 489 1 2 . 1 1 19 19 ASN C C 19 174.993 174.993 174.318 0.675 25656 490 1 2 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.187 0.384 25656 491 1 2 . 1 1 19 19 ASN CB C 19 36.724 36.724 36.878 -0.154 25656 492 1 2 . 1 1 19 19 ASN H H 19 8.567 8.567 8.868 -0.301 25656 493 1 2 . 1 1 20 20 ALA N N 20 118.637 118.637 116.580 2.057 25656 494 1 2 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.975 -0.254 25656 495 1 2 . 1 1 20 20 ALA C C 20 175.092 175.092 176.287 -1.195 25656 496 1 2 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.103 -0.126 25656 497 1 2 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.767 -0.663 25656 498 1 2 . 1 1 20 20 ALA H H 20 8.525 8.525 8.256 0.269 25656 499 1 2 . 1 1 21 21 THR N N 21 108.302 108.302 108.897 -0.595 25656 500 1 2 . 1 1 21 21 THR HA H 21 4.885 4.885 5.421 -0.536 25656 501 1 2 . 1 1 21 21 THR C C 21 172.847 172.847 172.858 -0.011 25656 502 1 2 . 1 1 21 21 THR CA C 21 60.830 60.830 60.407 0.423 25656 503 1 2 . 1 1 21 21 THR CB C 21 71.112 71.112 71.930 -0.818 25656 504 1 2 . 1 1 21 21 THR H H 21 6.252 6.252 7.387 -1.135 25656 505 1 2 . 1 1 23 23 ARG N N 23 123.805 123.805 122.027 1.778 25656 506 1 2 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.370 -0.440 25656 507 1 2 . 1 1 23 23 ARG C C 23 174.832 174.832 175.306 -0.474 25656 508 1 2 . 1 1 23 23 ARG CA C 23 56.418 56.418 55.023 1.395 25656 509 1 2 . 1 1 23 23 ARG CB C 23 31.445 31.445 32.070 -0.625 25656 510 1 2 . 1 1 23 23 ARG H H 23 8.987 8.987 9.054 -0.067 25656 511 1 2 . 1 1 24 24 VAL N N 24 127.572 127.572 120.257 7.315 25656 512 1 2 . 1 1 24 24 VAL C C 24 173.297 173.297 174.867 -1.570 25656 513 1 2 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.756 1.083 25656 514 1 2 . 1 1 24 24 VAL CB C 24 34.641 34.641 34.175 0.466 25656 515 1 2 . 1 1 24 24 VAL H H 24 9.349 9.349 8.714 0.635 25656 516 1 2 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.205 -0.001 25656 517 1 2 . 1 1 26 26 LEU C C 26 174.549 174.549 178.394 -3.845 25656 518 1 2 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.060 1.340 25656 519 1 2 . 1 1 26 26 LEU CB C 26 36.020 36.020 41.741 -5.721 25656 520 1 2 . 1 1 27 27 GLU N N 27 119.804 119.804 117.653 2.151 25656 521 1 2 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.098 -0.020 25656 522 1 2 . 1 1 27 27 GLU C C 27 176.188 176.188 177.342 -1.154 25656 523 1 2 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.097 0.427 25656 524 1 2 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.506 0.102 25656 525 1 2 . 1 1 27 27 GLU H H 27 8.393 8.393 8.520 -0.127 25656 526 1 2 . 1 1 28 28 ASN N N 28 113.245 113.245 117.996 -4.751 25656 527 1 2 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.494 0.067 25656 528 1 2 . 1 1 28 28 ASN C C 28 176.329 176.329 175.408 0.921 25656 529 1 2 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.492 -1.191 25656 530 1 2 . 1 1 28 28 ASN CB C 28 37.467 37.467 37.828 -0.361 25656 531 1 2 . 1 1 28 28 ASN H H 28 7.100 7.100 8.087 -0.987 25656 532 1 2 . 1 1 29 29 GLY N N 29 108.088 108.088 105.262 2.826 25656 533 1 2 . 1 1 29 29 GLY C C 29 174.238 174.238 173.790 0.448 25656 534 1 2 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.828 0.238 25656 535 1 2 . 1 1 29 29 GLY H H 29 8.228 8.228 7.961 0.267 25656 536 1 2 . 1 1 30 30 HIS N N 30 119.594 119.594 118.862 0.732 25656 537 1 2 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.595 -0.053 25656 538 1 2 . 1 1 30 30 HIS C C 30 173.598 173.598 174.824 -1.226 25656 539 1 2 . 1 1 30 30 HIS CA C 30 55.603 55.603 55.277 0.326 25656 540 1 2 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.280 -0.614 25656 541 1 2 . 1 1 30 30 HIS H H 30 7.840 7.840 7.591 0.249 25656 542 1 2 . 1 1 31 31 VAL N N 31 123.476 123.476 120.186 3.290 25656 543 1 2 . 1 1 31 31 VAL HA H 31 4.988 4.988 5.089 -0.101 25656 544 1 2 . 1 1 31 31 VAL C C 31 176.217 176.217 175.148 1.069 25656 545 1 2 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.480 0.868 25656 546 1 2 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.097 -0.489 25656 547 1 2 . 1 1 31 31 VAL H H 31 8.384 8.384 8.436 -0.052 25656 548 1 2 . 1 1 32 32 VAL N N 32 119.944 119.944 120.211 -0.267 25656 549 1 2 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.607 0.084 25656 550 1 2 . 1 1 32 32 VAL C C 32 173.802 173.802 173.981 -0.179 25656 551 1 2 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.024 -1.697 25656 552 1 2 . 1 1 32 32 VAL CB C 32 35.466 35.466 34.199 1.267 25656 553 1 2 . 1 1 32 32 VAL H H 32 8.933 8.933 9.030 -0.097 25656 554 1 2 . 1 1 33 33 LEU N N 33 122.390 122.390 127.457 -5.067 25656 555 1 2 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.433 -0.368 25656 556 1 2 . 1 1 33 33 LEU C C 33 173.779 173.779 175.895 -2.116 25656 557 1 2 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.452 4.965 25656 558 1 2 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.523 -9.068 25656 559 1 2 . 1 1 33 33 LEU H H 33 8.075 8.075 8.571 -0.496 25656 560 1 2 . 1 1 34 34 GLY N N 34 111.534 111.534 112.192 -0.658 25656 561 1 2 . 1 1 34 34 GLY C C 34 171.754 171.754 172.105 -0.351 25656 562 1 2 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.543 -1.791 25656 563 1 2 . 1 1 34 34 GLY H H 34 9.710 9.710 8.707 1.003 25656 564 1 2 . 1 1 35 35 HIS N N 35 117.412 117.412 116.351 1.061 25656 565 1 2 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.399 -0.003 25656 566 1 2 . 1 1 35 35 HIS C C 35 173.973 173.973 173.368 0.605 25656 567 1 2 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.721 0.687 25656 568 1 2 . 1 1 35 35 HIS CB C 35 32.435 32.435 33.048 -0.613 25656 569 1 2 . 1 1 35 35 HIS H H 35 8.002 8.002 8.094 -0.092 25656 570 1 2 . 1 1 36 36 ILE N N 36 122.073 122.073 123.147 -1.074 25656 571 1 2 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.478 -0.138 25656 572 1 2 . 1 1 36 36 ILE C C 36 175.549 175.549 174.417 1.132 25656 573 1 2 . 1 1 36 36 ILE CA C 36 61.351 61.351 60.179 1.171 25656 574 1 2 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.629 -0.484 25656 575 1 2 . 1 1 36 36 ILE H H 36 9.102 9.102 8.102 1.000 25656 576 1 2 . 1 1 37 37 SER N N 37 121.153 121.153 122.618 -1.465 25656 577 1 2 . 1 1 37 37 SER HA H 37 4.519 4.519 4.801 -0.282 25656 578 1 2 . 1 1 37 37 SER C C 37 174.975 174.975 173.225 1.750 25656 579 1 2 . 1 1 37 37 SER CA C 37 57.656 57.656 57.370 0.286 25656 580 1 2 . 1 1 37 37 SER CB C 37 64.856 64.856 64.979 -0.123 25656 581 1 2 . 1 1 37 37 SER H H 37 8.474 8.474 8.581 -0.107 25656 582 1 2 . 1 1 38 38 GLY N N 38 112.083 112.083 109.687 2.396 25656 583 1 2 . 1 1 38 38 GLY C C 38 175.790 175.790 173.336 2.454 25656 584 1 2 . 1 1 38 38 GLY CA C 38 46.419 46.419 44.857 1.562 25656 585 1 2 . 1 1 38 38 GLY H H 38 8.921 8.921 8.186 0.735 25656 586 1 2 . 1 1 39 39 LYS N N 39 121.180 121.180 120.012 1.168 25656 587 1 2 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.283 -0.177 25656 588 1 2 . 1 1 39 39 LYS C C 39 178.014 178.014 177.517 0.497 25656 589 1 2 . 1 1 39 39 LYS CA C 39 58.109 58.109 58.308 -0.199 25656 590 1 2 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.570 -0.215 25656 591 1 2 . 1 1 39 39 LYS H H 39 8.361 8.361 8.615 -0.254 25656 592 1 2 . 1 1 40 40 MET N N 40 118.268 118.268 117.807 0.461 25656 593 1 2 . 1 1 40 40 MET HA H 40 4.320 4.320 4.349 -0.029 25656 594 1 2 . 1 1 40 40 MET C C 40 177.027 177.027 177.111 -0.084 25656 595 1 2 . 1 1 40 40 MET CA C 40 56.473 56.473 56.873 -0.400 25656 596 1 2 . 1 1 40 40 MET CB C 40 32.505 32.505 32.368 0.137 25656 597 1 2 . 1 1 40 40 MET H H 40 7.888 7.888 8.222 -0.334 25656 598 1 2 . 1 1 41 41 ARG N N 41 119.656 119.656 119.420 0.236 25656 599 1 2 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.277 -0.262 25656 600 1 2 . 1 1 41 41 ARG C C 41 177.123 177.123 178.098 -0.975 25656 601 1 2 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.310 -0.548 25656 602 1 2 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.477 0.581 25656 603 1 2 . 1 1 41 41 ARG H H 41 7.872 7.872 8.339 -0.467 25656 604 1 2 . 1 1 42 42 MET N N 42 117.106 117.106 116.442 0.664 25656 605 1 2 . 1 1 42 42 MET HA H 42 4.218 4.218 4.094 0.124 25656 606 1 2 . 1 1 42 42 MET C C 42 176.078 176.078 177.087 -1.009 25656 607 1 2 . 1 1 42 42 MET CA C 42 56.295 56.295 56.864 -0.569 25656 608 1 2 . 1 1 42 42 MET CB C 42 32.024 32.024 31.960 0.064 25656 609 1 2 . 1 1 42 42 MET H H 42 7.839 7.839 7.787 0.052 25656 610 1 2 . 1 1 43 43 HIS N N 43 117.200 117.200 117.083 0.117 25656 611 1 2 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.328 0.157 25656 612 1 2 . 1 1 43 43 HIS C C 43 174.357 174.357 174.254 0.103 25656 613 1 2 . 1 1 43 43 HIS CA C 43 55.848 55.848 56.199 -0.351 25656 614 1 2 . 1 1 43 43 HIS CB C 43 30.005 30.005 30.013 -0.008 25656 615 1 2 . 1 1 43 43 HIS H H 43 7.720 7.720 7.357 0.363 25656 616 1 2 . 1 1 44 44 TYR N N 44 119.368 119.368 115.220 4.148 25656 617 1 2 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.212 0.130 25656 618 1 2 . 1 1 44 44 TYR C C 44 175.078 175.078 175.698 -0.620 25656 619 1 2 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.244 -0.009 25656 620 1 2 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.007 2.889 25656 621 1 2 . 1 1 44 44 TYR H H 44 7.817 7.817 6.988 0.829 25656 622 1 2 . 1 1 45 45 ILE N N 45 122.575 122.575 116.011 6.564 25656 623 1 2 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.070 -0.191 25656 624 1 2 . 1 1 45 45 ILE C C 45 174.785 174.785 176.518 -1.733 25656 625 1 2 . 1 1 45 45 ILE CA C 45 60.823 60.823 60.307 0.516 25656 626 1 2 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.323 0.578 25656 627 1 2 . 1 1 45 45 ILE H H 45 7.476 7.476 8.174 -0.698 25656 628 1 2 . 1 1 46 46 ARG N N 46 125.127 125.127 122.934 2.193 25656 629 1 2 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.366 -0.136 25656 630 1 2 . 1 1 46 46 ARG C C 46 174.757 174.757 175.907 -1.150 25656 631 1 2 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.969 -0.174 25656 632 1 2 . 1 1 46 46 ARG CB C 46 30.700 30.700 29.416 1.284 25656 633 1 2 . 1 1 46 46 ARG H H 46 8.112 8.112 8.487 -0.375 25656 634 1 2 . 1 1 47 47 ILE N N 47 125.531 125.531 125.827 -0.296 25656 635 1 2 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.316 -0.212 25656 636 1 2 . 1 1 47 47 ILE C C 47 174.500 174.500 175.034 -0.534 25656 637 1 2 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.945 -0.365 25656 638 1 2 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.281 -0.882 25656 639 1 2 . 1 1 47 47 ILE H H 47 7.781 7.781 8.553 -0.772 25656 640 1 2 . 1 1 48 48 LEU N N 48 129.762 129.762 124.264 5.498 25656 641 1 2 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.869 0.041 25656 642 1 2 . 1 1 48 48 LEU C C 48 174.536 174.536 173.940 0.596 25656 643 1 2 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.887 8.762 25656 644 1 2 . 1 1 48 48 LEU CB C 48 38.412 38.412 42.597 -4.185 25656 645 1 2 . 1 1 48 48 LEU H H 48 8.754 8.754 8.077 0.677 25656 646 1 2 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.434 -0.587 25656 647 1 2 . 1 1 49 49 PRO C C 49 177.177 177.177 177.303 -0.126 25656 648 1 2 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.178 0.598 25656 649 1 2 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.387 -0.280 25656 650 1 2 . 1 1 50 50 GLY N N 50 115.039 115.039 114.514 0.525 25656 651 1 2 . 1 1 50 50 GLY C C 50 174.684 174.684 173.472 1.212 25656 652 1 2 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.717 -0.375 25656 653 1 2 . 1 1 50 50 GLY H H 50 9.247 9.247 8.365 0.882 25656 654 1 2 . 1 1 51 51 ASP N N 51 122.122 122.122 120.967 1.155 25656 655 1 2 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.789 -0.297 25656 656 1 2 . 1 1 51 51 ASP C C 51 175.571 175.571 174.878 0.693 25656 657 1 2 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.143 2.161 25656 658 1 2 . 1 1 51 51 ASP CB C 51 40.824 40.824 43.346 -2.522 25656 659 1 2 . 1 1 51 51 ASP H H 51 8.157 8.157 7.715 0.442 25656 660 1 2 . 1 1 52 52 LYS N N 52 121.252 121.252 121.092 0.160 25656 661 1 2 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.951 0.031 25656 662 1 2 . 1 1 52 52 LYS C C 52 176.797 176.797 175.845 0.952 25656 663 1 2 . 1 1 52 52 LYS CA C 52 54.745 54.745 55.361 -0.616 25656 664 1 2 . 1 1 52 52 LYS CB C 52 32.236 32.236 33.688 -1.452 25656 665 1 2 . 1 1 52 52 LYS H H 52 8.501 8.501 8.459 0.042 25656 666 1 2 . 1 1 53 53 VAL N N 53 114.328 114.328 119.622 -5.294 25656 667 1 2 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.637 0.212 25656 668 1 2 . 1 1 53 53 VAL C C 53 174.261 174.261 173.805 0.456 25656 669 1 2 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.376 -1.207 25656 670 1 2 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.576 0.094 25656 671 1 2 . 1 1 53 53 VAL H H 53 8.552 8.552 9.052 -0.500 25656 672 1 2 . 1 1 54 54 THR N N 54 117.790 117.790 117.344 0.446 25656 673 1 2 . 1 1 54 54 THR HA H 54 4.642 4.642 5.254 -0.612 25656 674 1 2 . 1 1 54 54 THR C C 54 173.653 173.653 173.866 -0.213 25656 675 1 2 . 1 1 54 54 THR CA C 54 62.276 62.276 61.781 0.496 25656 676 1 2 . 1 1 54 54 THR CB C 54 69.042 69.042 69.890 -0.848 25656 677 1 2 . 1 1 54 54 THR H H 54 8.421 8.421 8.087 0.334 25656 678 1 2 . 1 1 55 55 VAL N N 55 120.671 120.671 117.768 2.903 25656 679 1 2 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.042 0.193 25656 680 1 2 . 1 1 55 55 VAL C C 55 174.027 174.027 174.012 0.015 25656 681 1 2 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.396 -1.504 25656 682 1 2 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.135 -0.813 25656 683 1 2 . 1 1 55 55 VAL H H 55 9.096 9.096 9.105 -0.009 25656 684 1 2 . 1 1 56 56 GLU N N 56 121.070 121.070 126.031 -4.961 25656 685 1 2 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.298 -0.113 25656 686 1 2 . 1 1 56 56 GLU C C 56 175.974 175.974 175.756 0.218 25656 687 1 2 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.141 -0.789 25656 688 1 2 . 1 1 56 56 GLU CB C 56 32.861 32.861 31.488 1.373 25656 689 1 2 . 1 1 56 56 GLU H H 56 9.094 9.094 8.427 0.667 25656 690 1 2 . 1 1 57 57 LEU N N 57 124.646 124.646 124.116 0.530 25656 691 1 2 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.952 -0.133 25656 692 1 2 . 1 1 57 57 LEU C C 57 175.906 175.906 175.792 0.114 25656 693 1 2 . 1 1 57 57 LEU CA C 57 54.485 54.485 52.863 1.622 25656 694 1 2 . 1 1 57 57 LEU CB C 57 43.356 43.356 44.609 -1.253 25656 695 1 2 . 1 1 57 57 LEU H H 57 9.030 9.030 7.857 1.173 25656 696 1 2 . 1 1 58 58 THR N N 58 115.858 115.858 110.442 5.416 25656 697 1 2 . 1 1 58 58 THR HA H 58 4.841 4.841 5.018 -0.177 25656 698 1 2 . 1 1 58 58 THR C C 58 174.000 174.000 174.260 -0.260 25656 699 1 2 . 1 1 58 58 THR CA C 58 58.292 58.292 58.775 -0.483 25656 700 1 2 . 1 1 58 58 THR CB C 58 68.768 68.768 69.363 -0.595 25656 701 1 2 . 1 1 58 58 THR H H 58 8.743 8.743 7.853 0.890 25656 702 1 2 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.201 -0.215 25656 703 1 2 . 1 1 59 59 PRO C C 59 176.595 176.595 176.664 -0.069 25656 704 1 2 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.962 -0.811 25656 705 1 2 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.514 0.196 25656 706 1 2 . 1 1 60 60 TYR N N 60 113.107 113.107 117.431 -4.324 25656 707 1 2 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.376 0.003 25656 708 1 2 . 1 1 60 60 TYR C C 60 175.399 175.399 175.833 -0.434 25656 709 1 2 . 1 1 60 60 TYR CA C 60 57.467 57.467 59.165 -1.698 25656 710 1 2 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.083 -0.473 25656 711 1 2 . 1 1 60 60 TYR H H 60 7.112 7.112 7.982 -0.870 25656 712 1 2 . 1 1 61 61 ASP N N 61 118.812 118.812 120.218 -1.406 25656 713 1 2 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.909 -0.262 25656 714 1 2 . 1 1 61 61 ASP C C 61 175.315 175.315 175.625 -0.310 25656 715 1 2 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.931 -0.161 25656 716 1 2 . 1 1 61 61 ASP CB C 61 40.718 40.718 39.268 1.450 25656 717 1 2 . 1 1 61 61 ASP H H 61 7.389 7.389 8.668 -1.279 25656 718 1 2 . 1 1 62 62 LEU N N 62 123.980 123.980 121.598 2.382 25656 719 1 2 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.453 -0.161 25656 720 1 2 . 1 1 62 62 LEU C C 62 175.285 175.285 176.938 -1.653 25656 721 1 2 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.409 -1.582 25656 722 1 2 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.299 -1.556 25656 723 1 2 . 1 1 62 62 LEU H H 62 8.546 8.546 7.693 0.853 25656 724 1 2 . 1 1 63 63 SER N N 63 113.177 113.177 112.209 0.968 25656 725 1 2 . 1 1 63 63 SER HA H 63 4.506 4.506 4.622 -0.116 25656 726 1 2 . 1 1 63 63 SER C C 63 174.295 174.295 173.627 0.668 25656 727 1 2 . 1 1 63 63 SER CA C 63 59.561 59.561 57.971 1.590 25656 728 1 2 . 1 1 63 63 SER CB C 63 64.377 64.377 63.055 1.322 25656 729 1 2 . 1 1 63 63 SER H H 63 8.307 8.307 8.183 0.124 25656 730 1 2 . 1 1 64 64 ARG N N 64 121.271 121.271 117.711 3.560 25656 731 1 2 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.857 0.139 25656 732 1 2 . 1 1 64 64 ARG C C 64 174.350 174.350 173.517 0.833 25656 733 1 2 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.749 -0.793 25656 734 1 2 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.316 1.456 25656 735 1 2 . 1 1 64 64 ARG H H 64 7.477 7.477 7.349 0.128 25656 736 1 2 . 1 1 65 65 ALA N N 65 121.899 121.899 125.891 -3.992 25656 737 1 2 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.070 -0.249 25656 738 1 2 . 1 1 65 65 ALA C C 65 175.764 175.764 175.161 0.603 25656 739 1 2 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.458 0.656 25656 740 1 2 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.266 -0.819 25656 741 1 2 . 1 1 65 65 ALA H H 65 8.371 8.371 8.814 -0.443 25656 742 1 2 . 1 1 66 66 ARG N N 66 120.933 120.933 118.275 2.658 25656 743 1 2 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.423 0.259 25656 744 1 2 . 1 1 66 66 ARG C C 66 175.669 175.669 175.340 0.329 25656 745 1 2 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.514 -0.312 25656 746 1 2 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.532 1.165 25656 747 1 2 . 1 1 66 66 ARG H H 66 8.531 8.531 8.602 -0.071 25656 748 1 2 . 1 1 67 67 ILE N N 67 125.277 125.277 123.849 1.428 25656 749 1 2 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.026 0.506 25656 750 1 2 . 1 1 67 67 ILE C C 67 174.856 174.856 175.540 -0.684 25656 751 1 2 . 1 1 67 67 ILE CA C 67 60.726 60.726 60.779 -0.053 25656 752 1 2 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.482 -1.966 25656 753 1 2 . 1 1 67 67 ILE H H 67 8.720 8.720 7.856 0.864 25656 754 1 2 . 1 1 68 68 VAL N N 68 128.292 128.292 126.152 2.140 25656 755 1 2 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.029 0.643 25656 756 1 2 . 1 1 68 68 VAL C C 68 176.302 176.302 175.495 0.807 25656 757 1 2 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.323 -5.296 25656 758 1 2 . 1 1 68 68 VAL CB C 68 33.695 33.695 33.965 -0.270 25656 759 1 2 . 1 1 68 68 VAL H H 68 9.141 9.141 8.471 0.670 25656 760 1 2 . 1 1 69 69 PHE N N 69 129.227 129.227 120.110 9.117 25656 761 1 2 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.390 0.289 25656 762 1 2 . 1 1 69 69 PHE C C 69 176.295 176.295 176.445 -0.150 25656 763 1 2 . 1 1 69 69 PHE CA C 69 55.054 55.054 58.261 -3.207 25656 764 1 2 . 1 1 69 69 PHE CB C 69 33.698 33.698 38.926 -5.228 25656 765 1 2 . 1 1 69 69 PHE H H 69 9.256 9.256 7.730 1.526 25656 766 1 2 . 1 1 70 70 ARG N N 70 121.729 121.729 118.555 3.174 25656 767 1 2 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.121 -0.094 25656 768 1 2 . 1 1 70 70 ARG C C 70 176.193 176.193 175.124 1.069 25656 769 1 2 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.749 -0.089 25656 770 1 2 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.178 -0.168 25656 771 1 2 . 1 1 70 70 ARG H H 70 8.277 8.277 8.440 -0.163 25656 772 1 2 . 1 1 71 71 ALA N N 71 124.554 124.554 123.532 1.022 25656 773 1 2 . 1 1 71 71 ALA C C 71 177.627 177.627 177.124 0.503 25656 774 1 2 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.045 1.434 25656 775 1 2 . 1 1 71 71 ALA CB C 71 19.027 19.027 21.330 -2.303 25656 776 1 2 . 1 1 71 71 ALA H H 71 8.166 8.166 8.175 -0.009 25656 777 1 3 . 1 1 2 2 ALA N N 2 125.535 125.535 123.865 1.670 25656 778 1 3 . 1 1 2 2 ALA HA H 2 4.243 4.243 5.372 -1.129 25656 779 1 3 . 1 1 2 2 ALA C C 2 177.715 177.715 175.420 2.295 25656 780 1 3 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.283 1.160 25656 781 1 3 . 1 1 2 2 ALA CB C 2 19.244 19.244 21.557 -2.313 25656 782 1 3 . 1 1 2 2 ALA H H 2 8.245 8.245 8.917 -0.672 25656 783 1 3 . 1 1 3 3 LYS N N 3 120.509 120.509 119.769 0.740 25656 784 1 3 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.415 -0.207 25656 785 1 3 . 1 1 3 3 LYS C C 3 176.294 176.294 174.045 2.249 25656 786 1 3 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.496 0.950 25656 787 1 3 . 1 1 3 3 LYS CB C 3 32.804 32.804 33.918 -1.114 25656 788 1 3 . 1 1 3 3 LYS H H 3 8.233 8.233 8.299 -0.066 25656 789 1 3 . 1 1 4 4 ASP N N 4 120.299 120.299 122.166 -1.867 25656 790 1 3 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.856 -0.293 25656 791 1 3 . 1 1 4 4 ASP C C 4 175.657 175.657 174.952 0.705 25656 792 1 3 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.113 0.165 25656 793 1 3 . 1 1 4 4 ASP CB C 4 41.054 41.054 42.129 -1.075 25656 794 1 3 . 1 1 4 4 ASP H H 4 8.185 8.185 8.544 -0.359 25656 795 1 3 . 1 1 5 5 ASP N N 5 120.293 120.293 125.084 -4.791 25656 796 1 3 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.911 -0.386 25656 797 1 3 . 1 1 5 5 ASP C C 5 175.396 175.396 174.529 0.867 25656 798 1 3 . 1 1 5 5 ASP CA C 5 54.433 54.433 54.330 0.103 25656 799 1 3 . 1 1 5 5 ASP CB C 5 41.072 41.072 41.847 -0.775 25656 800 1 3 . 1 1 5 5 ASP H H 5 8.082 8.082 8.710 -0.628 25656 801 1 3 . 1 1 6 6 VAL N N 6 116.889 116.889 117.243 -0.354 25656 802 1 3 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.484 -0.100 25656 803 1 3 . 1 1 6 6 VAL C C 6 175.536 175.536 174.841 0.695 25656 804 1 3 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.741 0.455 25656 805 1 3 . 1 1 6 6 VAL CB C 6 34.079 34.079 34.267 -0.188 25656 806 1 3 . 1 1 6 6 VAL H H 6 7.692 7.692 7.690 0.002 25656 807 1 3 . 1 1 7 7 ILE N N 7 123.931 123.931 120.649 3.282 25656 808 1 3 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.587 -0.268 25656 809 1 3 . 1 1 7 7 ILE C C 7 174.693 174.693 174.686 0.007 25656 810 1 3 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.456 -0.485 25656 811 1 3 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.765 -1.015 25656 812 1 3 . 1 1 7 7 ILE H H 7 8.638 8.638 8.034 0.604 25656 813 1 3 . 1 1 8 8 GLN N N 8 123.223 123.223 124.145 -0.922 25656 814 1 3 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.276 1.184 25656 815 1 3 . 1 1 8 8 GLN C C 8 175.824 175.824 174.751 1.073 25656 816 1 3 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.344 -1.229 25656 817 1 3 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.000 1.721 25656 818 1 3 . 1 1 8 8 GLN H H 8 8.381 8.381 8.427 -0.046 25656 819 1 3 . 1 1 9 9 MET N N 9 121.931 121.931 125.223 -3.292 25656 820 1 3 . 1 1 9 9 MET HA H 9 4.657 4.657 4.739 -0.082 25656 821 1 3 . 1 1 9 9 MET C C 9 173.567 173.567 174.487 -0.920 25656 822 1 3 . 1 1 9 9 MET CA C 9 54.778 54.778 53.992 0.786 25656 823 1 3 . 1 1 9 9 MET CB C 9 38.194 38.194 37.059 1.135 25656 824 1 3 . 1 1 9 9 MET H H 9 8.858 8.858 8.809 0.049 25656 825 1 3 . 1 1 10 10 GLN N N 10 119.772 119.772 122.110 -2.338 25656 826 1 3 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.571 0.478 25656 827 1 3 . 1 1 10 10 GLN C C 10 175.878 175.878 175.150 0.728 25656 828 1 3 . 1 1 10 10 GLN CA C 10 54.620 54.620 54.981 -0.361 25656 829 1 3 . 1 1 10 10 GLN CB C 10 30.978 30.978 28.731 2.247 25656 830 1 3 . 1 1 10 10 GLN H H 10 8.768 8.768 8.856 -0.088 25656 831 1 3 . 1 1 11 11 GLY N N 11 106.316 106.316 110.218 -3.902 25656 832 1 3 . 1 1 11 11 GLY C C 11 170.761 170.761 171.939 -1.178 25656 833 1 3 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.969 1.654 25656 834 1 3 . 1 1 11 11 GLY H H 11 8.708 8.708 8.650 0.058 25656 835 1 3 . 1 1 12 12 GLU N N 12 120.360 120.360 119.252 1.108 25656 836 1 3 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.072 0.063 25656 837 1 3 . 1 1 12 12 GLU C C 12 175.783 175.783 175.960 -0.177 25656 838 1 3 . 1 1 12 12 GLU CA C 12 53.581 53.581 54.326 -0.745 25656 839 1 3 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.926 -0.168 25656 840 1 3 . 1 1 12 12 GLU H H 12 8.438 8.438 8.457 -0.019 25656 841 1 3 . 1 1 13 13 VAL N N 13 126.730 126.730 125.586 1.144 25656 842 1 3 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.204 -0.380 25656 843 1 3 . 1 1 13 13 VAL C C 13 176.691 176.691 176.469 0.222 25656 844 1 3 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.996 -0.307 25656 845 1 3 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.721 -0.196 25656 846 1 3 . 1 1 13 13 VAL H H 13 8.957 8.957 8.729 0.228 25656 847 1 3 . 1 1 14 14 ILE N N 14 124.542 124.542 128.454 -3.912 25656 848 1 3 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.460 0.116 25656 849 1 3 . 1 1 14 14 ILE C C 14 175.731 175.731 175.495 0.236 25656 850 1 3 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.422 0.774 25656 851 1 3 . 1 1 14 14 ILE CB C 14 39.570 39.570 40.102 -0.533 25656 852 1 3 . 1 1 14 14 ILE H H 14 9.314 9.314 8.880 0.434 25656 853 1 3 . 1 1 15 15 GLU N N 15 119.317 119.317 119.219 0.098 25656 854 1 3 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.632 -0.261 25656 855 1 3 . 1 1 15 15 GLU C C 15 173.127 173.127 174.059 -0.932 25656 856 1 3 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.243 1.372 25656 857 1 3 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.178 1.112 25656 858 1 3 . 1 1 15 15 GLU H H 15 7.442 7.442 7.693 -0.251 25656 859 1 3 . 1 1 16 16 ASN N N 16 127.204 127.204 120.213 6.991 25656 860 1 3 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.773 -0.084 25656 861 1 3 . 1 1 16 16 ASN C C 16 174.024 174.024 174.288 -0.264 25656 862 1 3 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.300 0.740 25656 863 1 3 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.403 -1.730 25656 864 1 3 . 1 1 16 16 ASN H H 16 9.025 9.025 8.604 0.421 25656 865 1 3 . 1 1 17 17 LEU N N 17 125.683 125.683 119.946 5.737 25656 866 1 3 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.942 -0.295 25656 867 1 3 . 1 1 17 17 LEU C C 17 174.040 174.040 174.568 -0.528 25656 868 1 3 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.146 2.160 25656 869 1 3 . 1 1 17 17 LEU CB C 17 37.687 37.687 43.163 -5.476 25656 870 1 3 . 1 1 17 17 LEU H H 17 8.034 8.034 7.683 0.351 25656 871 1 3 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.416 -0.128 25656 872 1 3 . 1 1 18 18 PRO C C 18 176.016 176.016 176.694 -0.678 25656 873 1 3 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.877 0.491 25656 874 1 3 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.179 -0.088 25656 875 1 3 . 1 1 19 19 ASN N N 19 116.522 116.522 113.363 3.159 25656 876 1 3 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.359 -0.114 25656 877 1 3 . 1 1 19 19 ASN C C 19 174.993 174.993 175.154 -0.161 25656 878 1 3 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.789 -0.218 25656 879 1 3 . 1 1 19 19 ASN CB C 19 36.724 36.724 36.733 -0.009 25656 880 1 3 . 1 1 19 19 ASN H H 19 8.567 8.567 8.597 -0.030 25656 881 1 3 . 1 1 20 20 ALA N N 20 118.637 118.637 114.907 3.730 25656 882 1 3 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.986 -0.265 25656 883 1 3 . 1 1 20 20 ALA C C 20 175.092 175.092 176.315 -1.223 25656 884 1 3 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.505 -0.527 25656 885 1 3 . 1 1 20 20 ALA CB C 20 17.104 17.104 18.027 -0.923 25656 886 1 3 . 1 1 20 20 ALA H H 20 8.525 8.525 8.415 0.110 25656 887 1 3 . 1 1 21 21 THR N N 21 108.302 108.302 111.853 -3.551 25656 888 1 3 . 1 1 21 21 THR HA H 21 4.885 4.885 5.300 -0.415 25656 889 1 3 . 1 1 21 21 THR C C 21 172.847 172.847 173.626 -0.779 25656 890 1 3 . 1 1 21 21 THR CA C 21 60.830 60.830 61.044 -0.213 25656 891 1 3 . 1 1 21 21 THR CB C 21 71.112 71.112 70.665 0.447 25656 892 1 3 . 1 1 21 21 THR H H 21 6.252 6.252 7.255 -1.003 25656 893 1 3 . 1 1 23 23 ARG N N 23 123.805 123.805 120.935 2.870 25656 894 1 3 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.568 -0.638 25656 895 1 3 . 1 1 23 23 ARG C C 23 174.832 174.832 174.740 0.092 25656 896 1 3 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.835 1.583 25656 897 1 3 . 1 1 23 23 ARG CB C 23 31.445 31.445 33.625 -2.180 25656 898 1 3 . 1 1 23 23 ARG H H 23 8.987 8.987 8.372 0.615 25656 899 1 3 . 1 1 24 24 VAL N N 24 127.572 127.572 124.115 3.457 25656 900 1 3 . 1 1 24 24 VAL C C 24 173.297 173.297 174.800 -1.503 25656 901 1 3 . 1 1 24 24 VAL CA C 24 60.839 60.839 60.292 0.547 25656 902 1 3 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.626 -0.985 25656 903 1 3 . 1 1 24 24 VAL H H 24 9.349 9.349 8.764 0.585 25656 904 1 3 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.313 -0.109 25656 905 1 3 . 1 1 26 26 LEU C C 26 174.549 174.549 178.432 -3.883 25656 906 1 3 . 1 1 26 26 LEU CA C 26 56.400 56.400 54.679 1.721 25656 907 1 3 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.322 -6.302 25656 908 1 3 . 1 1 27 27 GLU N N 27 119.804 119.804 118.435 1.369 25656 909 1 3 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.177 -0.099 25656 910 1 3 . 1 1 27 27 GLU C C 27 176.188 176.188 177.583 -1.395 25656 911 1 3 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.138 0.386 25656 912 1 3 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.432 0.176 25656 913 1 3 . 1 1 27 27 GLU H H 27 8.393 8.393 8.786 -0.393 25656 914 1 3 . 1 1 28 28 ASN N N 28 113.245 113.245 118.147 -4.902 25656 915 1 3 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.535 0.026 25656 916 1 3 . 1 1 28 28 ASN C C 28 176.329 176.329 175.813 0.516 25656 917 1 3 . 1 1 28 28 ASN CA C 28 52.301 52.301 54.318 -2.017 25656 918 1 3 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.329 -0.862 25656 919 1 3 . 1 1 28 28 ASN H H 28 7.100 7.100 8.448 -1.348 25656 920 1 3 . 1 1 29 29 GLY N N 29 108.088 108.088 105.696 2.392 25656 921 1 3 . 1 1 29 29 GLY C C 29 174.238 174.238 173.639 0.599 25656 922 1 3 . 1 1 29 29 GLY CA C 29 45.066 45.066 45.175 -0.109 25656 923 1 3 . 1 1 29 29 GLY H H 29 8.228 8.228 8.169 0.059 25656 924 1 3 . 1 1 30 30 HIS N N 30 119.594 119.594 117.699 1.895 25656 925 1 3 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.694 -0.152 25656 926 1 3 . 1 1 30 30 HIS C C 30 173.598 173.598 174.617 -1.019 25656 927 1 3 . 1 1 30 30 HIS CA C 30 55.603 55.603 54.488 1.115 25656 928 1 3 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.533 -0.867 25656 929 1 3 . 1 1 30 30 HIS H H 30 7.840 7.840 7.808 0.032 25656 930 1 3 . 1 1 31 31 VAL N N 31 123.476 123.476 116.828 6.648 25656 931 1 3 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.599 0.389 25656 932 1 3 . 1 1 31 31 VAL C C 31 176.217 176.217 175.429 0.788 25656 933 1 3 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.850 0.498 25656 934 1 3 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.683 -1.075 25656 935 1 3 . 1 1 31 31 VAL H H 31 8.384 8.384 8.320 0.064 25656 936 1 3 . 1 1 32 32 VAL N N 32 119.944 119.944 119.299 0.645 25656 937 1 3 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.469 0.222 25656 938 1 3 . 1 1 32 32 VAL C C 32 173.802 173.802 174.810 -1.008 25656 939 1 3 . 1 1 32 32 VAL CA C 32 58.327 58.327 59.732 -1.405 25656 940 1 3 . 1 1 32 32 VAL CB C 32 35.466 35.466 33.853 1.613 25656 941 1 3 . 1 1 32 32 VAL H H 32 8.933 8.933 8.874 0.059 25656 942 1 3 . 1 1 33 33 LEU N N 33 122.390 122.390 125.392 -3.002 25656 943 1 3 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.179 -0.114 25656 944 1 3 . 1 1 33 33 LEU C C 33 173.779 173.779 177.278 -3.499 25656 945 1 3 . 1 1 33 33 LEU CA C 33 58.417 58.417 54.057 4.360 25656 946 1 3 . 1 1 33 33 LEU CB C 33 35.455 35.455 42.516 -7.061 25656 947 1 3 . 1 1 33 33 LEU H H 33 8.075 8.075 8.590 -0.515 25656 948 1 3 . 1 1 34 34 GLY N N 34 111.534 111.534 110.952 0.582 25656 949 1 3 . 1 1 34 34 GLY C C 34 171.754 171.754 172.193 -0.439 25656 950 1 3 . 1 1 34 34 GLY CA C 34 43.752 43.752 44.991 -1.239 25656 951 1 3 . 1 1 34 34 GLY H H 34 9.710 9.710 8.936 0.774 25656 952 1 3 . 1 1 35 35 HIS N N 35 117.412 117.412 114.688 2.724 25656 953 1 3 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.138 0.258 25656 954 1 3 . 1 1 35 35 HIS C C 35 173.973 173.973 173.640 0.333 25656 955 1 3 . 1 1 35 35 HIS CA C 35 54.408 54.408 54.847 -0.439 25656 956 1 3 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.660 -0.225 25656 957 1 3 . 1 1 35 35 HIS H H 35 8.002 8.002 7.728 0.274 25656 958 1 3 . 1 1 36 36 ILE N N 36 122.073 122.073 122.974 -0.901 25656 959 1 3 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.364 -0.024 25656 960 1 3 . 1 1 36 36 ILE C C 36 175.549 175.549 175.217 0.332 25656 961 1 3 . 1 1 36 36 ILE CA C 36 61.351 61.351 60.012 1.339 25656 962 1 3 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.670 -0.525 25656 963 1 3 . 1 1 36 36 ILE H H 36 9.102 9.102 8.606 0.496 25656 964 1 3 . 1 1 37 37 SER N N 37 121.153 121.153 123.013 -1.860 25656 965 1 3 . 1 1 37 37 SER HA H 37 4.519 4.519 4.778 -0.259 25656 966 1 3 . 1 1 37 37 SER C C 37 174.975 174.975 172.825 2.150 25656 967 1 3 . 1 1 37 37 SER CA C 37 57.656 57.656 57.866 -0.210 25656 968 1 3 . 1 1 37 37 SER CB C 37 64.856 64.856 65.245 -0.389 25656 969 1 3 . 1 1 37 37 SER H H 37 8.474 8.474 8.938 -0.464 25656 970 1 3 . 1 1 38 38 GLY N N 38 112.083 112.083 109.497 2.586 25656 971 1 3 . 1 1 38 38 GLY C C 38 175.790 175.790 173.623 2.167 25656 972 1 3 . 1 1 38 38 GLY CA C 38 46.419 46.419 44.753 1.666 25656 973 1 3 . 1 1 38 38 GLY H H 38 8.921 8.921 8.175 0.746 25656 974 1 3 . 1 1 39 39 LYS N N 39 121.180 121.180 117.800 3.380 25656 975 1 3 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.292 -0.186 25656 976 1 3 . 1 1 39 39 LYS C C 39 178.014 178.014 177.087 0.927 25656 977 1 3 . 1 1 39 39 LYS CA C 39 58.109 58.109 57.239 0.870 25656 978 1 3 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.909 -0.554 25656 979 1 3 . 1 1 39 39 LYS H H 39 8.361 8.361 8.485 -0.124 25656 980 1 3 . 1 1 40 40 MET N N 40 118.268 118.268 117.495 0.773 25656 981 1 3 . 1 1 40 40 MET HA H 40 4.320 4.320 4.457 -0.137 25656 982 1 3 . 1 1 40 40 MET C C 40 177.027 177.027 178.033 -1.006 25656 983 1 3 . 1 1 40 40 MET CA C 40 56.473 56.473 56.511 -0.038 25656 984 1 3 . 1 1 40 40 MET CB C 40 32.505 32.505 32.550 -0.045 25656 985 1 3 . 1 1 40 40 MET H H 40 7.888 7.888 8.195 -0.307 25656 986 1 3 . 1 1 41 41 ARG N N 41 119.656 119.656 119.728 -0.072 25656 987 1 3 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.258 -0.243 25656 988 1 3 . 1 1 41 41 ARG C C 41 177.123 177.123 177.539 -0.416 25656 989 1 3 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.305 -0.543 25656 990 1 3 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.333 0.725 25656 991 1 3 . 1 1 41 41 ARG H H 41 7.872 7.872 8.407 -0.535 25656 992 1 3 . 1 1 42 42 MET N N 42 117.106 117.106 117.823 -0.717 25656 993 1 3 . 1 1 42 42 MET HA H 42 4.218 4.218 4.387 -0.169 25656 994 1 3 . 1 1 42 42 MET C C 42 176.078 176.078 176.447 -0.369 25656 995 1 3 . 1 1 42 42 MET CA C 42 56.295 56.295 56.138 0.157 25656 996 1 3 . 1 1 42 42 MET CB C 42 32.024 32.024 32.252 -0.228 25656 997 1 3 . 1 1 42 42 MET H H 42 7.839 7.839 7.903 -0.064 25656 998 1 3 . 1 1 43 43 HIS N N 43 117.200 117.200 119.045 -1.845 25656 999 1 3 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.391 0.094 25656 1000 1 3 . 1 1 43 43 HIS C C 43 174.357 174.357 174.099 0.258 25656 1001 1 3 . 1 1 43 43 HIS CA C 43 55.848 55.848 56.123 -0.275 25656 1002 1 3 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.432 0.573 25656 1003 1 3 . 1 1 43 43 HIS H H 43 7.720 7.720 7.379 0.341 25656 1004 1 3 . 1 1 44 44 TYR N N 44 119.368 119.368 116.070 3.298 25656 1005 1 3 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.244 0.098 25656 1006 1 3 . 1 1 44 44 TYR C C 44 175.078 175.078 175.992 -0.914 25656 1007 1 3 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.390 -0.155 25656 1008 1 3 . 1 1 44 44 TYR CB C 44 37.896 37.896 34.997 2.899 25656 1009 1 3 . 1 1 44 44 TYR H H 44 7.817 7.817 7.672 0.145 25656 1010 1 3 . 1 1 45 45 ILE N N 45 122.575 122.575 114.564 8.011 25656 1011 1 3 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.236 -0.357 25656 1012 1 3 . 1 1 45 45 ILE C C 45 174.785 174.785 176.206 -1.421 25656 1013 1 3 . 1 1 45 45 ILE CA C 45 60.823 60.823 60.924 -0.101 25656 1014 1 3 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.696 0.205 25656 1015 1 3 . 1 1 45 45 ILE H H 45 7.476 7.476 7.819 -0.343 25656 1016 1 3 . 1 1 46 46 ARG N N 46 125.127 125.127 125.334 -0.207 25656 1017 1 3 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.490 -0.260 25656 1018 1 3 . 1 1 46 46 ARG C C 46 174.757 174.757 175.555 -0.798 25656 1019 1 3 . 1 1 46 46 ARG CA C 46 55.795 55.795 56.080 -0.285 25656 1020 1 3 . 1 1 46 46 ARG CB C 46 30.700 30.700 31.096 -0.396 25656 1021 1 3 . 1 1 46 46 ARG H H 46 8.112 8.112 8.381 -0.269 25656 1022 1 3 . 1 1 47 47 ILE N N 47 125.531 125.531 122.016 3.515 25656 1023 1 3 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.356 -0.252 25656 1024 1 3 . 1 1 47 47 ILE C C 47 174.500 174.500 175.083 -0.583 25656 1025 1 3 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.671 -0.091 25656 1026 1 3 . 1 1 47 47 ILE CB C 47 38.399 38.399 40.088 -1.689 25656 1027 1 3 . 1 1 47 47 ILE H H 47 7.781 7.781 8.445 -0.664 25656 1028 1 3 . 1 1 48 48 LEU N N 48 129.762 129.762 124.385 5.377 25656 1029 1 3 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.929 -0.019 25656 1030 1 3 . 1 1 48 48 LEU C C 48 174.536 174.536 174.378 0.158 25656 1031 1 3 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.521 9.128 25656 1032 1 3 . 1 1 48 48 LEU CB C 48 38.412 38.412 45.192 -6.780 25656 1033 1 3 . 1 1 48 48 LEU H H 48 8.754 8.754 8.287 0.468 25656 1034 1 3 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.370 -0.523 25656 1035 1 3 . 1 1 49 49 PRO C C 49 177.177 177.177 177.177 0.000 25656 1036 1 3 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.616 0.160 25656 1037 1 3 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.722 -0.615 25656 1038 1 3 . 1 1 50 50 GLY N N 50 115.039 115.039 113.967 1.072 25656 1039 1 3 . 1 1 50 50 GLY C C 50 174.684 174.684 174.490 0.194 25656 1040 1 3 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.829 -0.487 25656 1041 1 3 . 1 1 50 50 GLY H H 50 9.247 9.247 8.332 0.915 25656 1042 1 3 . 1 1 51 51 ASP N N 51 122.122 122.122 121.830 0.292 25656 1043 1 3 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.499 -0.007 25656 1044 1 3 . 1 1 51 51 ASP C C 51 175.571 175.571 175.565 0.006 25656 1045 1 3 . 1 1 51 51 ASP CA C 51 55.304 55.304 55.150 0.154 25656 1046 1 3 . 1 1 51 51 ASP CB C 51 40.824 40.824 41.983 -1.159 25656 1047 1 3 . 1 1 51 51 ASP H H 51 8.157 8.157 7.596 0.561 25656 1048 1 3 . 1 1 52 52 LYS N N 52 121.252 121.252 124.271 -3.019 25656 1049 1 3 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.660 0.322 25656 1050 1 3 . 1 1 52 52 LYS C C 52 176.797 176.797 176.546 0.251 25656 1051 1 3 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.576 -1.831 25656 1052 1 3 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.783 -0.548 25656 1053 1 3 . 1 1 52 52 LYS H H 52 8.501 8.501 8.465 0.036 25656 1054 1 3 . 1 1 53 53 VAL N N 53 114.328 114.328 119.778 -5.450 25656 1055 1 3 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.615 0.234 25656 1056 1 3 . 1 1 53 53 VAL C C 53 174.261 174.261 173.970 0.291 25656 1057 1 3 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.458 -1.289 25656 1058 1 3 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.957 -0.287 25656 1059 1 3 . 1 1 53 53 VAL H H 53 8.552 8.552 8.996 -0.444 25656 1060 1 3 . 1 1 54 54 THR N N 54 117.790 117.790 118.207 -0.417 25656 1061 1 3 . 1 1 54 54 THR HA H 54 4.642 4.642 5.193 -0.551 25656 1062 1 3 . 1 1 54 54 THR C C 54 173.653 173.653 173.766 -0.113 25656 1063 1 3 . 1 1 54 54 THR CA C 54 62.276 62.276 62.601 -0.325 25656 1064 1 3 . 1 1 54 54 THR CB C 54 69.042 69.042 69.808 -0.766 25656 1065 1 3 . 1 1 54 54 THR H H 54 8.421 8.421 8.102 0.319 25656 1066 1 3 . 1 1 55 55 VAL N N 55 120.671 120.671 118.969 1.702 25656 1067 1 3 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.025 0.210 25656 1068 1 3 . 1 1 55 55 VAL C C 55 174.027 174.027 174.240 -0.213 25656 1069 1 3 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.807 -1.915 25656 1070 1 3 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.629 -1.307 25656 1071 1 3 . 1 1 55 55 VAL H H 55 9.096 9.096 8.890 0.206 25656 1072 1 3 . 1 1 56 56 GLU N N 56 121.070 121.070 125.943 -4.873 25656 1073 1 3 . 1 1 56 56 GLU HA H 56 5.185 5.185 4.983 0.202 25656 1074 1 3 . 1 1 56 56 GLU C C 56 175.974 175.974 174.747 1.227 25656 1075 1 3 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.336 -0.983 25656 1076 1 3 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.086 0.775 25656 1077 1 3 . 1 1 56 56 GLU H H 56 9.094 9.094 8.447 0.647 25656 1078 1 3 . 1 1 57 57 LEU N N 57 124.646 124.646 128.027 -3.381 25656 1079 1 3 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.797 0.022 25656 1080 1 3 . 1 1 57 57 LEU C C 57 175.906 175.906 175.284 0.622 25656 1081 1 3 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.296 1.189 25656 1082 1 3 . 1 1 57 57 LEU CB C 57 43.356 43.356 46.499 -3.143 25656 1083 1 3 . 1 1 57 57 LEU H H 57 9.030 9.030 7.872 1.158 25656 1084 1 3 . 1 1 58 58 THR N N 58 115.858 115.858 114.850 1.008 25656 1085 1 3 . 1 1 58 58 THR HA H 58 4.841 4.841 5.329 -0.488 25656 1086 1 3 . 1 1 58 58 THR C C 58 174.000 174.000 173.980 0.020 25656 1087 1 3 . 1 1 58 58 THR CA C 58 58.292 58.292 58.550 -0.258 25656 1088 1 3 . 1 1 58 58 THR CB C 58 68.768 68.768 69.240 -0.472 25656 1089 1 3 . 1 1 58 58 THR H H 58 8.743 8.743 7.866 0.877 25656 1090 1 3 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.286 -0.300 25656 1091 1 3 . 1 1 59 59 PRO C C 59 176.595 176.595 177.225 -0.630 25656 1092 1 3 . 1 1 59 59 PRO CA C 59 64.151 64.151 65.186 -1.035 25656 1093 1 3 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.816 -0.106 25656 1094 1 3 . 1 1 60 60 TYR N N 60 113.107 113.107 119.044 -5.937 25656 1095 1 3 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.325 0.054 25656 1096 1 3 . 1 1 60 60 TYR C C 60 175.399 175.399 175.625 -0.226 25656 1097 1 3 . 1 1 60 60 TYR CA C 60 57.467 57.467 60.307 -2.841 25656 1098 1 3 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.765 -1.155 25656 1099 1 3 . 1 1 60 60 TYR H H 60 7.112 7.112 8.356 -1.244 25656 1100 1 3 . 1 1 61 61 ASP N N 61 118.812 118.812 119.064 -0.252 25656 1101 1 3 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.621 0.026 25656 1102 1 3 . 1 1 61 61 ASP C C 61 175.315 175.315 175.006 0.309 25656 1103 1 3 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.750 0.020 25656 1104 1 3 . 1 1 61 61 ASP CB C 61 40.718 40.718 40.282 0.436 25656 1105 1 3 . 1 1 61 61 ASP H H 61 7.389 7.389 8.068 -0.679 25656 1106 1 3 . 1 1 62 62 LEU N N 62 123.980 123.980 122.500 1.480 25656 1107 1 3 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.407 -0.115 25656 1108 1 3 . 1 1 62 62 LEU C C 62 175.285 175.285 176.343 -1.058 25656 1109 1 3 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.189 -1.362 25656 1110 1 3 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.946 -2.203 25656 1111 1 3 . 1 1 62 62 LEU H H 62 8.546 8.546 7.769 0.777 25656 1112 1 3 . 1 1 63 63 SER N N 63 113.177 113.177 112.410 0.767 25656 1113 1 3 . 1 1 63 63 SER HA H 63 4.506 4.506 4.520 -0.014 25656 1114 1 3 . 1 1 63 63 SER C C 63 174.295 174.295 173.461 0.834 25656 1115 1 3 . 1 1 63 63 SER CA C 63 59.561 59.561 57.504 2.057 25656 1116 1 3 . 1 1 63 63 SER CB C 63 64.377 64.377 62.251 2.126 25656 1117 1 3 . 1 1 63 63 SER H H 63 8.307 8.307 8.173 0.134 25656 1118 1 3 . 1 1 64 64 ARG N N 64 121.271 121.271 117.333 3.938 25656 1119 1 3 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.982 0.014 25656 1120 1 3 . 1 1 64 64 ARG C C 64 174.350 174.350 173.578 0.772 25656 1121 1 3 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.638 -0.682 25656 1122 1 3 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.532 1.240 25656 1123 1 3 . 1 1 64 64 ARG H H 64 7.477 7.477 7.265 0.212 25656 1124 1 3 . 1 1 65 65 ALA N N 65 121.899 121.899 125.456 -3.557 25656 1125 1 3 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.061 -0.240 25656 1126 1 3 . 1 1 65 65 ALA C C 65 175.764 175.764 175.273 0.491 25656 1127 1 3 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.243 0.871 25656 1128 1 3 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.248 -0.801 25656 1129 1 3 . 1 1 65 65 ALA H H 65 8.371 8.371 8.685 -0.314 25656 1130 1 3 . 1 1 66 66 ARG N N 66 120.933 120.933 118.688 2.245 25656 1131 1 3 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.414 0.268 25656 1132 1 3 . 1 1 66 66 ARG C C 66 175.669 175.669 175.116 0.553 25656 1133 1 3 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.470 -0.268 25656 1134 1 3 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.566 1.131 25656 1135 1 3 . 1 1 66 66 ARG H H 66 8.531 8.531 8.544 -0.013 25656 1136 1 3 . 1 1 67 67 ILE N N 67 125.277 125.277 124.219 1.058 25656 1137 1 3 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.011 0.521 25656 1138 1 3 . 1 1 67 67 ILE C C 67 174.856 174.856 175.611 -0.755 25656 1139 1 3 . 1 1 67 67 ILE CA C 67 60.726 60.726 61.004 -0.278 25656 1140 1 3 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.689 -2.173 25656 1141 1 3 . 1 1 67 67 ILE H H 67 8.720 8.720 7.838 0.882 25656 1142 1 3 . 1 1 68 68 VAL N N 68 128.292 128.292 126.873 1.419 25656 1143 1 3 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.003 0.669 25656 1144 1 3 . 1 1 68 68 VAL C C 68 176.302 176.302 176.187 0.115 25656 1145 1 3 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.224 -5.197 25656 1146 1 3 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.453 -0.758 25656 1147 1 3 . 1 1 68 68 VAL H H 68 9.141 9.141 8.323 0.818 25656 1148 1 3 . 1 1 69 69 PHE N N 69 129.227 129.227 122.412 6.815 25656 1149 1 3 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.367 0.312 25656 1150 1 3 . 1 1 69 69 PHE C C 69 176.295 176.295 176.326 -0.031 25656 1151 1 3 . 1 1 69 69 PHE CA C 69 55.054 55.054 57.804 -2.751 25656 1152 1 3 . 1 1 69 69 PHE CB C 69 33.698 33.698 38.623 -4.925 25656 1153 1 3 . 1 1 69 69 PHE H H 69 9.256 9.256 7.811 1.445 25656 1154 1 3 . 1 1 70 70 ARG N N 70 121.729 121.729 118.666 3.063 25656 1155 1 3 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.117 -0.090 25656 1156 1 3 . 1 1 70 70 ARG C C 70 176.193 176.193 176.366 -0.173 25656 1157 1 3 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.998 -0.338 25656 1158 1 3 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.137 -0.127 25656 1159 1 3 . 1 1 70 70 ARG H H 70 8.277 8.277 8.577 -0.300 25656 1160 1 3 . 1 1 71 71 ALA N N 71 124.554 124.554 122.308 2.246 25656 1161 1 3 . 1 1 71 71 ALA C C 71 177.627 177.627 176.767 0.860 25656 1162 1 3 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.153 1.326 25656 1163 1 3 . 1 1 71 71 ALA CB C 71 19.027 19.027 18.978 0.049 25656 1164 1 3 . 1 1 71 71 ALA H H 71 8.166 8.166 8.157 0.009 25656 1165 1 4 . 1 1 2 2 ALA N N 2 125.535 125.535 123.827 1.708 25656 1166 1 4 . 1 1 2 2 ALA HA H 2 4.243 4.243 5.339 -1.096 25656 1167 1 4 . 1 1 2 2 ALA C C 2 177.715 177.715 176.036 1.679 25656 1168 1 4 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.536 0.907 25656 1169 1 4 . 1 1 2 2 ALA CB C 2 19.244 19.244 21.912 -2.668 25656 1170 1 4 . 1 1 2 2 ALA H H 2 8.245 8.245 8.400 -0.155 25656 1171 1 4 . 1 1 3 3 LYS N N 3 120.509 120.509 118.773 1.736 25656 1172 1 4 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.455 -0.247 25656 1173 1 4 . 1 1 3 3 LYS C C 3 176.294 176.294 174.307 1.987 25656 1174 1 4 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.796 0.650 25656 1175 1 4 . 1 1 3 3 LYS CB C 3 32.804 32.804 34.206 -1.402 25656 1176 1 4 . 1 1 3 3 LYS H H 3 8.233 8.233 8.431 -0.198 25656 1177 1 4 . 1 1 4 4 ASP N N 4 120.299 120.299 121.516 -1.217 25656 1178 1 4 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.821 -0.258 25656 1179 1 4 . 1 1 4 4 ASP C C 4 175.657 175.657 174.995 0.662 25656 1180 1 4 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.079 0.199 25656 1181 1 4 . 1 1 4 4 ASP CB C 4 41.054 41.054 41.734 -0.680 25656 1182 1 4 . 1 1 4 4 ASP H H 4 8.185 8.185 8.482 -0.297 25656 1183 1 4 . 1 1 5 5 ASP N N 5 120.293 120.293 125.112 -4.819 25656 1184 1 4 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.907 -0.382 25656 1185 1 4 . 1 1 5 5 ASP C C 5 175.396 175.396 174.941 0.455 25656 1186 1 4 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.945 0.488 25656 1187 1 4 . 1 1 5 5 ASP CB C 5 41.072 41.072 40.813 0.259 25656 1188 1 4 . 1 1 5 5 ASP H H 5 8.082 8.082 8.740 -0.658 25656 1189 1 4 . 1 1 6 6 VAL N N 6 116.889 116.889 115.275 1.614 25656 1190 1 4 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.501 -0.117 25656 1191 1 4 . 1 1 6 6 VAL C C 6 175.536 175.536 174.758 0.778 25656 1192 1 4 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.423 0.772 25656 1193 1 4 . 1 1 6 6 VAL CB C 6 34.079 34.079 34.540 -0.461 25656 1194 1 4 . 1 1 6 6 VAL H H 6 7.692 7.692 7.505 0.187 25656 1195 1 4 . 1 1 7 7 ILE N N 7 123.931 123.931 120.181 3.750 25656 1196 1 4 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.652 -0.333 25656 1197 1 4 . 1 1 7 7 ILE C C 7 174.693 174.693 174.996 -0.303 25656 1198 1 4 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.516 -0.545 25656 1199 1 4 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.192 -0.442 25656 1200 1 4 . 1 1 7 7 ILE H H 7 8.638 8.638 8.173 0.465 25656 1201 1 4 . 1 1 8 8 GLN N N 8 123.223 123.223 124.783 -1.560 25656 1202 1 4 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.408 1.052 25656 1203 1 4 . 1 1 8 8 GLN C C 8 175.824 175.824 175.297 0.527 25656 1204 1 4 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.510 -1.395 25656 1205 1 4 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.393 1.328 25656 1206 1 4 . 1 1 8 8 GLN H H 8 8.381 8.381 8.344 0.037 25656 1207 1 4 . 1 1 9 9 MET N N 9 121.931 121.931 123.633 -1.702 25656 1208 1 4 . 1 1 9 9 MET HA H 9 4.657 4.657 4.752 -0.095 25656 1209 1 4 . 1 1 9 9 MET C C 9 173.567 173.567 175.019 -1.452 25656 1210 1 4 . 1 1 9 9 MET CA C 9 54.778 54.778 54.468 0.310 25656 1211 1 4 . 1 1 9 9 MET CB C 9 38.194 38.194 35.783 2.411 25656 1212 1 4 . 1 1 9 9 MET H H 9 8.858 8.858 9.040 -0.182 25656 1213 1 4 . 1 1 10 10 GLN N N 10 119.772 119.772 120.716 -0.944 25656 1214 1 4 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.538 0.511 25656 1215 1 4 . 1 1 10 10 GLN C C 10 175.878 175.878 175.264 0.614 25656 1216 1 4 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.296 -0.676 25656 1217 1 4 . 1 1 10 10 GLN CB C 10 30.978 30.978 29.532 1.446 25656 1218 1 4 . 1 1 10 10 GLN H H 10 8.768 8.768 8.606 0.162 25656 1219 1 4 . 1 1 11 11 GLY N N 11 106.316 106.316 111.354 -5.038 25656 1220 1 4 . 1 1 11 11 GLY C C 11 170.761 170.761 171.796 -1.035 25656 1221 1 4 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.907 1.716 25656 1222 1 4 . 1 1 11 11 GLY H H 11 8.708 8.708 8.790 -0.082 25656 1223 1 4 . 1 1 12 12 GLU N N 12 120.360 120.360 119.511 0.849 25656 1224 1 4 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.244 -0.109 25656 1225 1 4 . 1 1 12 12 GLU C C 12 175.783 175.783 175.945 -0.162 25656 1226 1 4 . 1 1 12 12 GLU CA C 12 53.581 53.581 54.039 -0.458 25656 1227 1 4 . 1 1 12 12 GLU CB C 12 33.758 33.758 34.195 -0.437 25656 1228 1 4 . 1 1 12 12 GLU H H 12 8.438 8.438 8.629 -0.191 25656 1229 1 4 . 1 1 13 13 VAL N N 13 126.730 126.730 125.748 0.982 25656 1230 1 4 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.195 -0.371 25656 1231 1 4 . 1 1 13 13 VAL C C 13 176.691 176.691 175.626 1.065 25656 1232 1 4 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.643 0.046 25656 1233 1 4 . 1 1 13 13 VAL CB C 13 31.525 31.525 32.148 -0.623 25656 1234 1 4 . 1 1 13 13 VAL H H 13 8.957 8.957 8.770 0.187 25656 1235 1 4 . 1 1 14 14 ILE N N 14 124.542 124.542 127.540 -2.998 25656 1236 1 4 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.490 0.086 25656 1237 1 4 . 1 1 14 14 ILE C C 14 175.731 175.731 175.166 0.565 25656 1238 1 4 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.651 0.545 25656 1239 1 4 . 1 1 14 14 ILE CB C 14 39.570 39.570 40.597 -1.027 25656 1240 1 4 . 1 1 14 14 ILE H H 14 9.314 9.314 8.946 0.368 25656 1241 1 4 . 1 1 15 15 GLU N N 15 119.317 119.317 119.470 -0.153 25656 1242 1 4 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.666 -0.295 25656 1243 1 4 . 1 1 15 15 GLU C C 15 173.127 173.127 174.512 -1.385 25656 1244 1 4 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.090 1.525 25656 1245 1 4 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.573 0.717 25656 1246 1 4 . 1 1 15 15 GLU H H 15 7.442 7.442 7.662 -0.221 25656 1247 1 4 . 1 1 16 16 ASN N N 16 127.204 127.204 121.437 5.767 25656 1248 1 4 . 1 1 16 16 ASN HA H 16 4.689 4.689 5.136 -0.447 25656 1249 1 4 . 1 1 16 16 ASN C C 16 174.024 174.024 174.303 -0.279 25656 1250 1 4 . 1 1 16 16 ASN CA C 16 53.040 53.040 53.059 -0.019 25656 1251 1 4 . 1 1 16 16 ASN CB C 16 37.673 37.673 40.466 -2.793 25656 1252 1 4 . 1 1 16 16 ASN H H 16 9.025 9.025 8.783 0.242 25656 1253 1 4 . 1 1 17 17 LEU N N 17 125.683 125.683 122.921 2.762 25656 1254 1 4 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.927 -0.280 25656 1255 1 4 . 1 1 17 17 LEU C C 17 174.040 174.040 174.372 -0.332 25656 1256 1 4 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.547 1.759 25656 1257 1 4 . 1 1 17 17 LEU CB C 17 37.687 37.687 45.055 -7.368 25656 1258 1 4 . 1 1 17 17 LEU H H 17 8.034 8.034 7.690 0.344 25656 1259 1 4 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.403 -0.115 25656 1260 1 4 . 1 1 18 18 PRO C C 18 176.016 176.016 175.917 0.099 25656 1261 1 4 . 1 1 18 18 PRO CA C 18 63.367 63.367 63.082 0.285 25656 1262 1 4 . 1 1 18 18 PRO CB C 18 32.091 32.091 31.852 0.239 25656 1263 1 4 . 1 1 19 19 ASN N N 19 116.522 116.522 112.872 3.650 25656 1264 1 4 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.419 -0.174 25656 1265 1 4 . 1 1 19 19 ASN C C 19 174.993 174.993 175.066 -0.073 25656 1266 1 4 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.438 0.133 25656 1267 1 4 . 1 1 19 19 ASN CB C 19 36.724 36.724 36.814 -0.090 25656 1268 1 4 . 1 1 19 19 ASN H H 19 8.567 8.567 8.497 0.070 25656 1269 1 4 . 1 1 20 20 ALA N N 20 118.637 118.637 118.016 0.621 25656 1270 1 4 . 1 1 20 20 ALA HA H 20 3.721 3.721 4.019 -0.298 25656 1271 1 4 . 1 1 20 20 ALA C C 20 175.092 175.092 176.116 -1.024 25656 1272 1 4 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.546 -0.569 25656 1273 1 4 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.679 -0.575 25656 1274 1 4 . 1 1 20 20 ALA H H 20 8.525 8.525 8.307 0.218 25656 1275 1 4 . 1 1 21 21 THR N N 21 108.302 108.302 110.217 -1.915 25656 1276 1 4 . 1 1 21 21 THR HA H 21 4.885 4.885 5.169 -0.284 25656 1277 1 4 . 1 1 21 21 THR C C 21 172.847 172.847 172.644 0.203 25656 1278 1 4 . 1 1 21 21 THR CA C 21 60.830 60.830 61.145 -0.315 25656 1279 1 4 . 1 1 21 21 THR CB C 21 71.112 71.112 71.622 -0.510 25656 1280 1 4 . 1 1 21 21 THR H H 21 6.252 6.252 7.095 -0.843 25656 1281 1 4 . 1 1 23 23 ARG N N 23 123.805 123.805 121.708 2.097 25656 1282 1 4 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.553 -0.623 25656 1283 1 4 . 1 1 23 23 ARG C C 23 174.832 174.832 175.152 -0.320 25656 1284 1 4 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.537 1.881 25656 1285 1 4 . 1 1 23 23 ARG CB C 23 31.445 31.445 32.411 -0.966 25656 1286 1 4 . 1 1 23 23 ARG H H 23 8.987 8.987 8.389 0.598 25656 1287 1 4 . 1 1 24 24 VAL N N 24 127.572 127.572 118.864 8.708 25656 1288 1 4 . 1 1 24 24 VAL C C 24 173.297 173.297 174.397 -1.100 25656 1289 1 4 . 1 1 24 24 VAL CA C 24 60.839 60.839 58.923 1.916 25656 1290 1 4 . 1 1 24 24 VAL CB C 24 34.641 34.641 34.957 -0.316 25656 1291 1 4 . 1 1 24 24 VAL H H 24 9.349 9.349 8.656 0.693 25656 1292 1 4 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.310 -0.106 25656 1293 1 4 . 1 1 26 26 LEU C C 26 174.549 174.549 178.357 -3.808 25656 1294 1 4 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.279 1.121 25656 1295 1 4 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.224 -6.204 25656 1296 1 4 . 1 1 27 27 GLU N N 27 119.804 119.804 118.652 1.152 25656 1297 1 4 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.121 -0.043 25656 1298 1 4 . 1 1 27 27 GLU C C 27 176.188 176.188 177.695 -1.507 25656 1299 1 4 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.233 0.291 25656 1300 1 4 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.337 0.271 25656 1301 1 4 . 1 1 27 27 GLU H H 27 8.393 8.393 8.700 -0.307 25656 1302 1 4 . 1 1 28 28 ASN N N 28 113.245 113.245 117.633 -4.388 25656 1303 1 4 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.520 0.041 25656 1304 1 4 . 1 1 28 28 ASN C C 28 176.329 176.329 175.658 0.671 25656 1305 1 4 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.725 -1.424 25656 1306 1 4 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.288 -0.821 25656 1307 1 4 . 1 1 28 28 ASN H H 28 7.100 7.100 8.130 -1.030 25656 1308 1 4 . 1 1 29 29 GLY N N 29 108.088 108.088 105.206 2.882 25656 1309 1 4 . 1 1 29 29 GLY C C 29 174.238 174.238 173.720 0.518 25656 1310 1 4 . 1 1 29 29 GLY CA C 29 45.066 45.066 45.067 -0.001 25656 1311 1 4 . 1 1 29 29 GLY H H 29 8.228 8.228 8.088 0.140 25656 1312 1 4 . 1 1 30 30 HIS N N 30 119.594 119.594 118.084 1.510 25656 1313 1 4 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.621 -0.079 25656 1314 1 4 . 1 1 30 30 HIS C C 30 173.598 173.598 174.638 -1.040 25656 1315 1 4 . 1 1 30 30 HIS CA C 30 55.603 55.603 54.616 0.987 25656 1316 1 4 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.319 -0.652 25656 1317 1 4 . 1 1 30 30 HIS H H 30 7.840 7.840 7.810 0.030 25656 1318 1 4 . 1 1 31 31 VAL N N 31 123.476 123.476 118.841 4.635 25656 1319 1 4 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.878 0.110 25656 1320 1 4 . 1 1 31 31 VAL C C 31 176.217 176.217 174.978 1.239 25656 1321 1 4 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.729 0.619 25656 1322 1 4 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.306 -0.698 25656 1323 1 4 . 1 1 31 31 VAL H H 31 8.384 8.384 8.375 0.009 25656 1324 1 4 . 1 1 32 32 VAL N N 32 119.944 119.944 117.033 2.911 25656 1325 1 4 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.674 0.017 25656 1326 1 4 . 1 1 32 32 VAL C C 32 173.802 173.802 174.015 -0.213 25656 1327 1 4 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.294 -1.967 25656 1328 1 4 . 1 1 32 32 VAL CB C 32 35.466 35.466 35.363 0.103 25656 1329 1 4 . 1 1 32 32 VAL H H 32 8.933 8.933 7.925 1.008 25656 1330 1 4 . 1 1 33 33 LEU N N 33 122.390 122.390 125.953 -3.563 25656 1331 1 4 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.377 -0.312 25656 1332 1 4 . 1 1 33 33 LEU C C 33 173.779 173.779 176.405 -2.626 25656 1333 1 4 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.310 5.107 25656 1334 1 4 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.474 -9.019 25656 1335 1 4 . 1 1 33 33 LEU H H 33 8.075 8.075 8.706 -0.631 25656 1336 1 4 . 1 1 34 34 GLY N N 34 111.534 111.534 110.755 0.779 25656 1337 1 4 . 1 1 34 34 GLY C C 34 171.754 171.754 171.856 -0.102 25656 1338 1 4 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.521 -1.769 25656 1339 1 4 . 1 1 34 34 GLY H H 34 9.710 9.710 8.711 0.999 25656 1340 1 4 . 1 1 35 35 HIS N N 35 117.412 117.412 117.335 0.077 25656 1341 1 4 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.212 0.184 25656 1342 1 4 . 1 1 35 35 HIS C C 35 173.973 173.973 173.259 0.714 25656 1343 1 4 . 1 1 35 35 HIS CA C 35 54.408 54.408 54.290 0.118 25656 1344 1 4 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.498 -0.063 25656 1345 1 4 . 1 1 35 35 HIS H H 35 8.002 8.002 8.182 -0.180 25656 1346 1 4 . 1 1 36 36 ILE N N 36 122.073 122.073 123.494 -1.421 25656 1347 1 4 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.337 0.003 25656 1348 1 4 . 1 1 36 36 ILE C C 36 175.549 175.549 174.756 0.793 25656 1349 1 4 . 1 1 36 36 ILE CA C 36 61.351 61.351 59.471 1.880 25656 1350 1 4 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.734 -0.590 25656 1351 1 4 . 1 1 36 36 ILE H H 36 9.102 9.102 8.766 0.336 25656 1352 1 4 . 1 1 37 37 SER N N 37 121.153 121.153 123.779 -2.626 25656 1353 1 4 . 1 1 37 37 SER HA H 37 4.519 4.519 4.814 -0.295 25656 1354 1 4 . 1 1 37 37 SER C C 37 174.975 174.975 172.844 2.131 25656 1355 1 4 . 1 1 37 37 SER CA C 37 57.656 57.656 57.521 0.135 25656 1356 1 4 . 1 1 37 37 SER CB C 37 64.856 64.856 65.995 -1.139 25656 1357 1 4 . 1 1 37 37 SER H H 37 8.474 8.474 8.866 -0.392 25656 1358 1 4 . 1 1 38 38 GLY N N 38 112.083 112.083 108.723 3.360 25656 1359 1 4 . 1 1 38 38 GLY C C 38 175.790 175.790 173.224 2.566 25656 1360 1 4 . 1 1 38 38 GLY CA C 38 46.419 46.419 45.731 0.688 25656 1361 1 4 . 1 1 38 38 GLY H H 38 8.921 8.921 8.060 0.861 25656 1362 1 4 . 1 1 39 39 LYS N N 39 121.180 121.180 118.713 2.467 25656 1363 1 4 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.262 -0.156 25656 1364 1 4 . 1 1 39 39 LYS C C 39 178.014 178.014 177.268 0.746 25656 1365 1 4 . 1 1 39 39 LYS CA C 39 58.109 58.109 56.912 1.197 25656 1366 1 4 . 1 1 39 39 LYS CB C 39 32.355 32.355 33.265 -0.910 25656 1367 1 4 . 1 1 39 39 LYS H H 39 8.361 8.361 8.466 -0.105 25656 1368 1 4 . 1 1 40 40 MET N N 40 118.268 118.268 118.436 -0.168 25656 1369 1 4 . 1 1 40 40 MET HA H 40 4.320 4.320 4.115 0.205 25656 1370 1 4 . 1 1 40 40 MET C C 40 177.027 177.027 177.766 -0.739 25656 1371 1 4 . 1 1 40 40 MET CA C 40 56.473 56.473 57.224 -0.751 25656 1372 1 4 . 1 1 40 40 MET CB C 40 32.505 32.505 32.729 -0.224 25656 1373 1 4 . 1 1 40 40 MET H H 40 7.888 7.888 8.101 -0.213 25656 1374 1 4 . 1 1 41 41 ARG N N 41 119.656 119.656 120.554 -0.898 25656 1375 1 4 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.074 -0.059 25656 1376 1 4 . 1 1 41 41 ARG C C 41 177.123 177.123 177.789 -0.666 25656 1377 1 4 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.636 -0.874 25656 1378 1 4 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.990 0.068 25656 1379 1 4 . 1 1 41 41 ARG H H 41 7.872 7.872 8.227 -0.355 25656 1380 1 4 . 1 1 42 42 MET N N 42 117.106 117.106 116.087 1.019 25656 1381 1 4 . 1 1 42 42 MET HA H 42 4.218 4.218 4.204 0.014 25656 1382 1 4 . 1 1 42 42 MET C C 42 176.078 176.078 176.658 -0.580 25656 1383 1 4 . 1 1 42 42 MET CA C 42 56.295 56.295 56.821 -0.526 25656 1384 1 4 . 1 1 42 42 MET CB C 42 32.024 32.024 32.416 -0.392 25656 1385 1 4 . 1 1 42 42 MET H H 42 7.839 7.839 7.885 -0.046 25656 1386 1 4 . 1 1 43 43 HIS N N 43 117.200 117.200 117.097 0.103 25656 1387 1 4 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.399 0.086 25656 1388 1 4 . 1 1 43 43 HIS C C 43 174.357 174.357 174.346 0.011 25656 1389 1 4 . 1 1 43 43 HIS CA C 43 55.848 55.848 55.055 0.793 25656 1390 1 4 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.717 0.288 25656 1391 1 4 . 1 1 43 43 HIS H H 43 7.720 7.720 7.235 0.485 25656 1392 1 4 . 1 1 44 44 TYR N N 44 119.368 119.368 116.461 2.907 25656 1393 1 4 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.212 0.130 25656 1394 1 4 . 1 1 44 44 TYR C C 44 175.078 175.078 176.217 -1.139 25656 1395 1 4 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.244 -0.009 25656 1396 1 4 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.064 2.832 25656 1397 1 4 . 1 1 44 44 TYR H H 44 7.817 7.817 7.282 0.535 25656 1398 1 4 . 1 1 45 45 ILE N N 45 122.575 122.575 115.659 6.916 25656 1399 1 4 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.051 -0.172 25656 1400 1 4 . 1 1 45 45 ILE C C 45 174.785 174.785 176.683 -1.898 25656 1401 1 4 . 1 1 45 45 ILE CA C 45 60.823 60.823 61.429 -0.606 25656 1402 1 4 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.566 0.335 25656 1403 1 4 . 1 1 45 45 ILE H H 45 7.476 7.476 7.863 -0.387 25656 1404 1 4 . 1 1 46 46 ARG N N 46 125.127 125.127 121.461 3.666 25656 1405 1 4 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.643 -0.413 25656 1406 1 4 . 1 1 46 46 ARG C C 46 174.757 174.757 174.945 -0.188 25656 1407 1 4 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.348 0.447 25656 1408 1 4 . 1 1 46 46 ARG CB C 46 30.700 30.700 29.923 0.777 25656 1409 1 4 . 1 1 46 46 ARG H H 46 8.112 8.112 8.562 -0.450 25656 1410 1 4 . 1 1 47 47 ILE N N 47 125.531 125.531 122.283 3.248 25656 1411 1 4 . 1 1 47 47 ILE HA H 47 4.104 4.104 3.947 0.157 25656 1412 1 4 . 1 1 47 47 ILE C C 47 174.500 174.500 175.783 -1.283 25656 1413 1 4 . 1 1 47 47 ILE CA C 47 60.580 60.580 61.704 -1.124 25656 1414 1 4 . 1 1 47 47 ILE CB C 47 38.399 38.399 38.321 0.078 25656 1415 1 4 . 1 1 47 47 ILE H H 47 7.781 7.781 8.181 -0.400 25656 1416 1 4 . 1 1 48 48 LEU N N 48 129.762 129.762 122.623 7.139 25656 1417 1 4 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.905 0.005 25656 1418 1 4 . 1 1 48 48 LEU C C 48 174.536 174.536 174.239 0.297 25656 1419 1 4 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.327 9.322 25656 1420 1 4 . 1 1 48 48 LEU CB C 48 38.412 38.412 43.112 -4.700 25656 1421 1 4 . 1 1 48 48 LEU H H 48 8.754 8.754 7.951 0.803 25656 1422 1 4 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.423 -0.576 25656 1423 1 4 . 1 1 49 49 PRO C C 49 177.177 177.177 177.125 0.052 25656 1424 1 4 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.230 0.546 25656 1425 1 4 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.351 -0.244 25656 1426 1 4 . 1 1 50 50 GLY N N 50 115.039 115.039 113.728 1.311 25656 1427 1 4 . 1 1 50 50 GLY C C 50 174.684 174.684 173.373 1.311 25656 1428 1 4 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.756 -0.414 25656 1429 1 4 . 1 1 50 50 GLY H H 50 9.247 9.247 8.608 0.639 25656 1430 1 4 . 1 1 51 51 ASP N N 51 122.122 122.122 121.704 0.418 25656 1431 1 4 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.782 -0.290 25656 1432 1 4 . 1 1 51 51 ASP C C 51 175.571 175.571 175.234 0.337 25656 1433 1 4 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.015 2.289 25656 1434 1 4 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.554 -1.730 25656 1435 1 4 . 1 1 51 51 ASP H H 51 8.157 8.157 7.741 0.416 25656 1436 1 4 . 1 1 52 52 LYS N N 52 121.252 121.252 123.816 -2.564 25656 1437 1 4 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.611 0.371 25656 1438 1 4 . 1 1 52 52 LYS C C 52 176.797 176.797 176.236 0.561 25656 1439 1 4 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.670 -1.925 25656 1440 1 4 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.502 -0.266 25656 1441 1 4 . 1 1 52 52 LYS H H 52 8.501 8.501 8.647 -0.146 25656 1442 1 4 . 1 1 53 53 VAL N N 53 114.328 114.328 120.742 -6.414 25656 1443 1 4 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.562 0.287 25656 1444 1 4 . 1 1 53 53 VAL C C 53 174.261 174.261 174.224 0.037 25656 1445 1 4 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.968 -1.799 25656 1446 1 4 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.979 -0.309 25656 1447 1 4 . 1 1 53 53 VAL H H 53 8.552 8.552 8.969 -0.417 25656 1448 1 4 . 1 1 54 54 THR N N 54 117.790 117.790 120.035 -2.245 25656 1449 1 4 . 1 1 54 54 THR HA H 54 4.642 4.642 5.120 -0.478 25656 1450 1 4 . 1 1 54 54 THR C C 54 173.653 173.653 173.574 0.079 25656 1451 1 4 . 1 1 54 54 THR CA C 54 62.276 62.276 62.454 -0.178 25656 1452 1 4 . 1 1 54 54 THR CB C 54 69.042 69.042 69.835 -0.793 25656 1453 1 4 . 1 1 54 54 THR H H 54 8.421 8.421 8.198 0.223 25656 1454 1 4 . 1 1 55 55 VAL N N 55 120.671 120.671 118.677 1.994 25656 1455 1 4 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.073 0.162 25656 1456 1 4 . 1 1 55 55 VAL C C 55 174.027 174.027 174.107 -0.080 25656 1457 1 4 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.012 -1.120 25656 1458 1 4 . 1 1 55 55 VAL CB C 55 34.322 34.322 34.453 -0.131 25656 1459 1 4 . 1 1 55 55 VAL H H 55 9.096 9.096 9.045 0.051 25656 1460 1 4 . 1 1 56 56 GLU N N 56 121.070 121.070 125.601 -4.531 25656 1461 1 4 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.074 0.111 25656 1462 1 4 . 1 1 56 56 GLU C C 56 175.974 175.974 174.870 1.104 25656 1463 1 4 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.183 -0.831 25656 1464 1 4 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.075 0.785 25656 1465 1 4 . 1 1 56 56 GLU H H 56 9.094 9.094 8.496 0.598 25656 1466 1 4 . 1 1 57 57 LEU N N 57 124.646 124.646 128.937 -4.291 25656 1467 1 4 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.759 0.060 25656 1468 1 4 . 1 1 57 57 LEU C C 57 175.906 175.906 175.374 0.532 25656 1469 1 4 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.669 0.816 25656 1470 1 4 . 1 1 57 57 LEU CB C 57 43.356 43.356 45.939 -2.583 25656 1471 1 4 . 1 1 57 57 LEU H H 57 9.030 9.030 7.860 1.170 25656 1472 1 4 . 1 1 58 58 THR N N 58 115.858 115.858 117.291 -1.433 25656 1473 1 4 . 1 1 58 58 THR HA H 58 4.841 4.841 4.858 -0.017 25656 1474 1 4 . 1 1 58 58 THR C C 58 174.000 174.000 174.374 -0.374 25656 1475 1 4 . 1 1 58 58 THR CA C 58 58.292 58.292 58.487 -0.195 25656 1476 1 4 . 1 1 58 58 THR CB C 58 68.768 68.768 68.238 0.530 25656 1477 1 4 . 1 1 58 58 THR H H 58 8.743 8.743 8.423 0.320 25656 1478 1 4 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.322 -0.336 25656 1479 1 4 . 1 1 59 59 PRO C C 59 176.595 176.595 177.078 -0.483 25656 1480 1 4 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.249 -0.098 25656 1481 1 4 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.466 0.244 25656 1482 1 4 . 1 1 60 60 TYR N N 60 113.107 113.107 117.919 -4.812 25656 1483 1 4 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.331 0.048 25656 1484 1 4 . 1 1 60 60 TYR C C 60 175.399 175.399 175.646 -0.247 25656 1485 1 4 . 1 1 60 60 TYR CA C 60 57.467 57.467 59.299 -1.832 25656 1486 1 4 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.413 -0.803 25656 1487 1 4 . 1 1 60 60 TYR H H 60 7.112 7.112 7.621 -0.509 25656 1488 1 4 . 1 1 61 61 ASP N N 61 118.812 118.812 115.313 3.499 25656 1489 1 4 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.927 -0.280 25656 1490 1 4 . 1 1 61 61 ASP C C 61 175.315 175.315 175.244 0.071 25656 1491 1 4 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.784 -0.014 25656 1492 1 4 . 1 1 61 61 ASP CB C 61 40.718 40.718 43.827 -3.109 25656 1493 1 4 . 1 1 61 61 ASP H H 61 7.389 7.389 7.654 -0.265 25656 1494 1 4 . 1 1 62 62 LEU N N 62 123.980 123.980 121.143 2.837 25656 1495 1 4 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.566 -0.274 25656 1496 1 4 . 1 1 62 62 LEU C C 62 175.285 175.285 176.070 -0.785 25656 1497 1 4 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.150 -1.323 25656 1498 1 4 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.311 -1.568 25656 1499 1 4 . 1 1 62 62 LEU H H 62 8.546 8.546 8.402 0.144 25656 1500 1 4 . 1 1 63 63 SER N N 63 113.177 113.177 114.689 -1.512 25656 1501 1 4 . 1 1 63 63 SER HA H 63 4.506 4.506 4.730 -0.224 25656 1502 1 4 . 1 1 63 63 SER C C 63 174.295 174.295 173.621 0.674 25656 1503 1 4 . 1 1 63 63 SER CA C 63 59.561 59.561 57.651 1.910 25656 1504 1 4 . 1 1 63 63 SER CB C 63 64.377 64.377 63.367 1.010 25656 1505 1 4 . 1 1 63 63 SER H H 63 8.307 8.307 7.910 0.397 25656 1506 1 4 . 1 1 64 64 ARG N N 64 121.271 121.271 116.366 4.905 25656 1507 1 4 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.959 0.037 25656 1508 1 4 . 1 1 64 64 ARG C C 64 174.350 174.350 173.691 0.659 25656 1509 1 4 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.533 -0.577 25656 1510 1 4 . 1 1 64 64 ARG CB C 64 32.772 32.772 32.729 0.043 25656 1511 1 4 . 1 1 64 64 ARG H H 64 7.477 7.477 7.452 0.025 25656 1512 1 4 . 1 1 65 65 ALA N N 65 121.899 121.899 122.669 -0.770 25656 1513 1 4 . 1 1 65 65 ALA HA H 65 4.821 4.821 4.841 -0.020 25656 1514 1 4 . 1 1 65 65 ALA C C 65 175.764 175.764 174.598 1.166 25656 1515 1 4 . 1 1 65 65 ALA CA C 65 51.114 51.114 51.885 -0.771 25656 1516 1 4 . 1 1 65 65 ALA CB C 65 22.447 22.447 22.929 -0.482 25656 1517 1 4 . 1 1 65 65 ALA H H 65 8.371 8.371 8.809 -0.438 25656 1518 1 4 . 1 1 66 66 ARG N N 66 120.933 120.933 118.586 2.347 25656 1519 1 4 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.554 0.128 25656 1520 1 4 . 1 1 66 66 ARG C C 66 175.669 175.669 175.274 0.395 25656 1521 1 4 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.697 -0.495 25656 1522 1 4 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.611 1.086 25656 1523 1 4 . 1 1 66 66 ARG H H 66 8.531 8.531 8.459 0.072 25656 1524 1 4 . 1 1 67 67 ILE N N 67 125.277 125.277 123.367 1.910 25656 1525 1 4 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.083 0.449 25656 1526 1 4 . 1 1 67 67 ILE C C 67 174.856 174.856 175.813 -0.957 25656 1527 1 4 . 1 1 67 67 ILE CA C 67 60.726 60.726 60.742 -0.016 25656 1528 1 4 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.907 -2.391 25656 1529 1 4 . 1 1 67 67 ILE H H 67 8.720 8.720 7.844 0.876 25656 1530 1 4 . 1 1 68 68 VAL N N 68 128.292 128.292 125.042 3.250 25656 1531 1 4 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.409 0.263 25656 1532 1 4 . 1 1 68 68 VAL C C 68 176.302 176.302 175.589 0.713 25656 1533 1 4 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.483 -5.456 25656 1534 1 4 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.563 -0.868 25656 1535 1 4 . 1 1 68 68 VAL H H 68 9.141 9.141 8.491 0.650 25656 1536 1 4 . 1 1 69 69 PHE N N 69 129.227 129.227 120.851 8.376 25656 1537 1 4 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.327 0.352 25656 1538 1 4 . 1 1 69 69 PHE C C 69 176.295 176.295 176.456 -0.161 25656 1539 1 4 . 1 1 69 69 PHE CA C 69 55.054 55.054 59.322 -4.268 25656 1540 1 4 . 1 1 69 69 PHE CB C 69 33.698 33.698 39.351 -5.653 25656 1541 1 4 . 1 1 69 69 PHE H H 69 9.256 9.256 8.864 0.392 25656 1542 1 4 . 1 1 70 70 ARG N N 70 121.729 121.729 120.078 1.651 25656 1543 1 4 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.188 -0.161 25656 1544 1 4 . 1 1 70 70 ARG C C 70 176.193 176.193 176.857 -0.664 25656 1545 1 4 . 1 1 70 70 ARG CA C 70 56.660 56.660 57.368 -0.708 25656 1546 1 4 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.438 -0.428 25656 1547 1 4 . 1 1 70 70 ARG H H 70 8.277 8.277 8.550 -0.273 25656 1548 1 4 . 1 1 71 71 ALA N N 71 124.554 124.554 126.483 -1.929 25656 1549 1 4 . 1 1 71 71 ALA C C 71 177.627 177.627 176.592 1.035 25656 1550 1 4 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.172 1.307 25656 1551 1 4 . 1 1 71 71 ALA CB C 71 19.027 19.027 17.819 1.208 25656 1552 1 4 . 1 1 71 71 ALA H H 71 8.166 8.166 8.086 0.080 25656 1553 1 5 . 1 1 2 2 ALA N N 2 125.535 125.535 125.899 -0.364 25656 1554 1 5 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.244 -0.001 25656 1555 1 5 . 1 1 2 2 ALA C C 2 177.715 177.715 177.652 0.063 25656 1556 1 5 . 1 1 2 2 ALA CA C 2 52.443 52.443 53.381 -0.938 25656 1557 1 5 . 1 1 2 2 ALA CB C 2 19.244 19.244 19.193 0.051 25656 1558 1 5 . 1 1 2 2 ALA H H 2 8.245 8.245 8.581 -0.336 25656 1559 1 5 . 1 1 3 3 LYS N N 3 120.509 120.509 120.611 -0.102 25656 1560 1 5 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.078 0.130 25656 1561 1 5 . 1 1 3 3 LYS C C 3 176.294 176.294 175.502 0.792 25656 1562 1 5 . 1 1 3 3 LYS CA C 3 56.446 56.446 56.712 -0.265 25656 1563 1 5 . 1 1 3 3 LYS CB C 3 32.804 32.804 31.893 0.911 25656 1564 1 5 . 1 1 3 3 LYS H H 3 8.233 8.233 7.992 0.241 25656 1565 1 5 . 1 1 4 4 ASP N N 4 120.299 120.299 125.538 -5.239 25656 1566 1 5 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.755 -0.192 25656 1567 1 5 . 1 1 4 4 ASP C C 4 175.657 175.657 176.357 -0.700 25656 1568 1 5 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.122 0.156 25656 1569 1 5 . 1 1 4 4 ASP CB C 4 41.054 41.054 41.561 -0.507 25656 1570 1 5 . 1 1 4 4 ASP H H 4 8.185 8.185 8.404 -0.219 25656 1571 1 5 . 1 1 5 5 ASP N N 5 120.293 120.293 126.242 -5.949 25656 1572 1 5 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.777 -0.252 25656 1573 1 5 . 1 1 5 5 ASP C C 5 175.396 175.396 176.157 -0.761 25656 1574 1 5 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.584 0.849 25656 1575 1 5 . 1 1 5 5 ASP CB C 5 41.072 41.072 40.341 0.731 25656 1576 1 5 . 1 1 5 5 ASP H H 5 8.082 8.082 8.570 -0.488 25656 1577 1 5 . 1 1 6 6 VAL N N 6 116.889 116.889 116.643 0.246 25656 1578 1 5 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.034 0.350 25656 1579 1 5 . 1 1 6 6 VAL C C 6 175.536 175.536 175.497 0.039 25656 1580 1 5 . 1 1 6 6 VAL CA C 6 61.196 61.196 62.404 -1.208 25656 1581 1 5 . 1 1 6 6 VAL CB C 6 34.079 34.079 32.393 1.686 25656 1582 1 5 . 1 1 6 6 VAL H H 6 7.692 7.692 7.169 0.523 25656 1583 1 5 . 1 1 7 7 ILE N N 7 123.931 123.931 122.025 1.906 25656 1584 1 5 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.669 -0.350 25656 1585 1 5 . 1 1 7 7 ILE C C 7 174.693 174.693 174.748 -0.055 25656 1586 1 5 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.170 -0.199 25656 1587 1 5 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.094 -0.344 25656 1588 1 5 . 1 1 7 7 ILE H H 7 8.638 8.638 7.956 0.682 25656 1589 1 5 . 1 1 8 8 GLN N N 8 123.223 123.223 125.566 -2.343 25656 1590 1 5 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.352 1.108 25656 1591 1 5 . 1 1 8 8 GLN C C 8 175.824 175.824 175.310 0.514 25656 1592 1 5 . 1 1 8 8 GLN CA C 8 54.115 54.115 56.212 -2.097 25656 1593 1 5 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.203 1.518 25656 1594 1 5 . 1 1 8 8 GLN H H 8 8.381 8.381 8.376 0.005 25656 1595 1 5 . 1 1 9 9 MET N N 9 121.931 121.931 123.680 -1.749 25656 1596 1 5 . 1 1 9 9 MET HA H 9 4.657 4.657 4.771 -0.114 25656 1597 1 5 . 1 1 9 9 MET C C 9 173.567 173.567 174.849 -1.282 25656 1598 1 5 . 1 1 9 9 MET CA C 9 54.778 54.778 54.161 0.617 25656 1599 1 5 . 1 1 9 9 MET CB C 9 38.194 38.194 35.844 2.350 25656 1600 1 5 . 1 1 9 9 MET H H 9 8.858 8.858 8.971 -0.113 25656 1601 1 5 . 1 1 10 10 GLN N N 10 119.772 119.772 121.514 -1.742 25656 1602 1 5 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.808 0.241 25656 1603 1 5 . 1 1 10 10 GLN C C 10 175.878 175.878 175.594 0.284 25656 1604 1 5 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.421 -0.801 25656 1605 1 5 . 1 1 10 10 GLN CB C 10 30.978 30.978 30.365 0.613 25656 1606 1 5 . 1 1 10 10 GLN H H 10 8.768 8.768 8.678 0.090 25656 1607 1 5 . 1 1 11 11 GLY N N 11 106.316 106.316 111.805 -5.489 25656 1608 1 5 . 1 1 11 11 GLY C C 11 170.761 170.761 171.862 -1.101 25656 1609 1 5 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.822 1.801 25656 1610 1 5 . 1 1 11 11 GLY H H 11 8.708 8.708 8.798 -0.090 25656 1611 1 5 . 1 1 12 12 GLU N N 12 120.360 120.360 119.282 1.078 25656 1612 1 5 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.343 -0.208 25656 1613 1 5 . 1 1 12 12 GLU C C 12 175.783 175.783 176.194 -0.411 25656 1614 1 5 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.839 -0.258 25656 1615 1 5 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.901 -0.143 25656 1616 1 5 . 1 1 12 12 GLU H H 12 8.438 8.438 8.526 -0.088 25656 1617 1 5 . 1 1 13 13 VAL N N 13 126.730 126.730 125.634 1.096 25656 1618 1 5 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.155 -0.331 25656 1619 1 5 . 1 1 13 13 VAL C C 13 176.691 176.691 176.063 0.628 25656 1620 1 5 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.923 -0.234 25656 1621 1 5 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.816 -0.291 25656 1622 1 5 . 1 1 13 13 VAL H H 13 8.957 8.957 8.820 0.137 25656 1623 1 5 . 1 1 14 14 ILE N N 14 124.542 124.542 127.525 -2.983 25656 1624 1 5 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.442 0.134 25656 1625 1 5 . 1 1 14 14 ILE C C 14 175.731 175.731 175.654 0.077 25656 1626 1 5 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.843 0.353 25656 1627 1 5 . 1 1 14 14 ILE CB C 14 39.570 39.570 39.748 -0.178 25656 1628 1 5 . 1 1 14 14 ILE H H 14 9.314 9.314 8.992 0.322 25656 1629 1 5 . 1 1 15 15 GLU N N 15 119.317 119.317 119.268 0.049 25656 1630 1 5 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.616 -0.245 25656 1631 1 5 . 1 1 15 15 GLU C C 15 173.127 173.127 174.291 -1.164 25656 1632 1 5 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.007 1.608 25656 1633 1 5 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.825 0.465 25656 1634 1 5 . 1 1 15 15 GLU H H 15 7.442 7.442 7.705 -0.263 25656 1635 1 5 . 1 1 16 16 ASN N N 16 127.204 127.204 120.486 6.718 25656 1636 1 5 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.600 0.089 25656 1637 1 5 . 1 1 16 16 ASN C C 16 174.024 174.024 173.672 0.352 25656 1638 1 5 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.967 0.073 25656 1639 1 5 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.550 -1.877 25656 1640 1 5 . 1 1 16 16 ASN H H 16 9.025 9.025 8.575 0.450 25656 1641 1 5 . 1 1 17 17 LEU N N 17 125.683 125.683 125.723 -0.040 25656 1642 1 5 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.819 -0.172 25656 1643 1 5 . 1 1 17 17 LEU C C 17 174.040 174.040 175.231 -1.191 25656 1644 1 5 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.375 1.931 25656 1645 1 5 . 1 1 17 17 LEU CB C 17 37.687 37.687 45.098 -7.411 25656 1646 1 5 . 1 1 17 17 LEU H H 17 8.034 8.034 7.449 0.585 25656 1647 1 5 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.456 -0.168 25656 1648 1 5 . 1 1 18 18 PRO C C 18 176.016 176.016 176.593 -0.577 25656 1649 1 5 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.675 0.692 25656 1650 1 5 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.494 -0.403 25656 1651 1 5 . 1 1 19 19 ASN N N 19 116.522 116.522 113.479 3.043 25656 1652 1 5 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.342 -0.097 25656 1653 1 5 . 1 1 19 19 ASN C C 19 174.993 174.993 174.024 0.969 25656 1654 1 5 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.396 0.175 25656 1655 1 5 . 1 1 19 19 ASN CB C 19 36.724 36.724 37.204 -0.480 25656 1656 1 5 . 1 1 19 19 ASN H H 19 8.567 8.567 8.456 0.111 25656 1657 1 5 . 1 1 20 20 ALA N N 20 118.637 118.637 114.740 3.897 25656 1658 1 5 . 1 1 20 20 ALA HA H 20 3.721 3.721 4.070 -0.349 25656 1659 1 5 . 1 1 20 20 ALA C C 20 175.092 175.092 176.272 -1.180 25656 1660 1 5 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.078 -0.101 25656 1661 1 5 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.367 -0.263 25656 1662 1 5 . 1 1 20 20 ALA H H 20 8.525 8.525 8.270 0.255 25656 1663 1 5 . 1 1 21 21 THR N N 21 108.302 108.302 108.601 -0.299 25656 1664 1 5 . 1 1 21 21 THR HA H 21 4.885 4.885 5.243 -0.358 25656 1665 1 5 . 1 1 21 21 THR C C 21 172.847 172.847 173.389 -0.542 25656 1666 1 5 . 1 1 21 21 THR CA C 21 60.830 60.830 59.920 0.910 25656 1667 1 5 . 1 1 21 21 THR CB C 21 71.112 71.112 70.813 0.299 25656 1668 1 5 . 1 1 21 21 THR H H 21 6.252 6.252 7.368 -1.116 25656 1669 1 5 . 1 1 23 23 ARG N N 23 123.805 123.805 121.273 2.532 25656 1670 1 5 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.610 -0.680 25656 1671 1 5 . 1 1 23 23 ARG C C 23 174.832 174.832 174.736 0.096 25656 1672 1 5 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.778 1.640 25656 1673 1 5 . 1 1 23 23 ARG CB C 23 31.445 31.445 34.393 -2.948 25656 1674 1 5 . 1 1 23 23 ARG H H 23 8.987 8.987 8.356 0.631 25656 1675 1 5 . 1 1 24 24 VAL N N 24 127.572 127.572 116.998 10.574 25656 1676 1 5 . 1 1 24 24 VAL C C 24 173.297 173.297 173.541 -0.244 25656 1677 1 5 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.898 0.941 25656 1678 1 5 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.919 -1.278 25656 1679 1 5 . 1 1 24 24 VAL H H 24 9.349 9.349 8.957 0.392 25656 1680 1 5 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.431 -0.227 25656 1681 1 5 . 1 1 26 26 LEU C C 26 174.549 174.549 178.494 -3.945 25656 1682 1 5 . 1 1 26 26 LEU CA C 26 56.400 56.400 53.692 2.708 25656 1683 1 5 . 1 1 26 26 LEU CB C 26 36.020 36.020 41.663 -5.643 25656 1684 1 5 . 1 1 27 27 GLU N N 27 119.804 119.804 119.426 0.378 25656 1685 1 5 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.137 -0.059 25656 1686 1 5 . 1 1 27 27 GLU C C 27 176.188 176.188 177.758 -1.570 25656 1687 1 5 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.283 0.241 25656 1688 1 5 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.486 0.122 25656 1689 1 5 . 1 1 27 27 GLU H H 27 8.393 8.393 8.861 -0.468 25656 1690 1 5 . 1 1 28 28 ASN N N 28 113.245 113.245 118.290 -5.045 25656 1691 1 5 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.566 -0.005 25656 1692 1 5 . 1 1 28 28 ASN C C 28 176.329 176.329 175.688 0.641 25656 1693 1 5 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.873 -1.571 25656 1694 1 5 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.475 -1.008 25656 1695 1 5 . 1 1 28 28 ASN H H 28 7.100 7.100 8.316 -1.216 25656 1696 1 5 . 1 1 29 29 GLY N N 29 108.088 108.088 104.695 3.393 25656 1697 1 5 . 1 1 29 29 GLY C C 29 174.238 174.238 173.884 0.354 25656 1698 1 5 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.762 0.304 25656 1699 1 5 . 1 1 29 29 GLY H H 29 8.228 8.228 8.032 0.196 25656 1700 1 5 . 1 1 30 30 HIS N N 30 119.594 119.594 119.415 0.179 25656 1701 1 5 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.656 -0.114 25656 1702 1 5 . 1 1 30 30 HIS C C 30 173.598 173.598 174.847 -1.249 25656 1703 1 5 . 1 1 30 30 HIS CA C 30 55.603 55.603 56.358 -0.755 25656 1704 1 5 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.422 -0.756 25656 1705 1 5 . 1 1 30 30 HIS H H 30 7.840 7.840 7.853 -0.013 25656 1706 1 5 . 1 1 31 31 VAL N N 31 123.476 123.476 119.584 3.892 25656 1707 1 5 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.960 0.028 25656 1708 1 5 . 1 1 31 31 VAL C C 31 176.217 176.217 175.619 0.598 25656 1709 1 5 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.514 0.834 25656 1710 1 5 . 1 1 31 31 VAL CB C 31 32.608 32.608 32.605 0.003 25656 1711 1 5 . 1 1 31 31 VAL H H 31 8.384 8.384 8.320 0.064 25656 1712 1 5 . 1 1 32 32 VAL N N 32 119.944 119.944 120.941 -0.997 25656 1713 1 5 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.578 0.113 25656 1714 1 5 . 1 1 32 32 VAL C C 32 173.802 173.802 174.437 -0.635 25656 1715 1 5 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.351 -2.024 25656 1716 1 5 . 1 1 32 32 VAL CB C 32 35.466 35.466 33.968 1.498 25656 1717 1 5 . 1 1 32 32 VAL H H 32 8.933 8.933 8.933 0.000 25656 1718 1 5 . 1 1 33 33 LEU N N 33 122.390 122.390 127.453 -5.063 25656 1719 1 5 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.360 -0.295 25656 1720 1 5 . 1 1 33 33 LEU C C 33 173.779 173.779 175.981 -2.202 25656 1721 1 5 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.617 4.800 25656 1722 1 5 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.507 -9.052 25656 1723 1 5 . 1 1 33 33 LEU H H 33 8.075 8.075 8.506 -0.431 25656 1724 1 5 . 1 1 34 34 GLY N N 34 111.534 111.534 112.494 -0.960 25656 1725 1 5 . 1 1 34 34 GLY C C 34 171.754 171.754 172.087 -0.333 25656 1726 1 5 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.725 -1.973 25656 1727 1 5 . 1 1 34 34 GLY H H 34 9.710 9.710 9.245 0.465 25656 1728 1 5 . 1 1 35 35 HIS N N 35 117.412 117.412 117.261 0.151 25656 1729 1 5 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.619 -0.223 25656 1730 1 5 . 1 1 35 35 HIS C C 35 173.973 173.973 173.534 0.439 25656 1731 1 5 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.455 0.953 25656 1732 1 5 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.617 -0.182 25656 1733 1 5 . 1 1 35 35 HIS H H 35 8.002 8.002 8.367 -0.365 25656 1734 1 5 . 1 1 36 36 ILE N N 36 122.073 122.073 122.835 -0.762 25656 1735 1 5 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.229 0.111 25656 1736 1 5 . 1 1 36 36 ILE C C 36 175.549 175.549 174.517 1.032 25656 1737 1 5 . 1 1 36 36 ILE CA C 36 61.351 61.351 59.352 1.999 25656 1738 1 5 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.364 -0.219 25656 1739 1 5 . 1 1 36 36 ILE H H 36 9.102 9.102 8.074 1.028 25656 1740 1 5 . 1 1 37 37 SER N N 37 121.153 121.153 122.603 -1.450 25656 1741 1 5 . 1 1 37 37 SER HA H 37 4.519 4.519 4.800 -0.281 25656 1742 1 5 . 1 1 37 37 SER C C 37 174.975 174.975 173.186 1.789 25656 1743 1 5 . 1 1 37 37 SER CA C 37 57.656 57.656 57.573 0.083 25656 1744 1 5 . 1 1 37 37 SER CB C 37 64.856 64.856 66.303 -1.447 25656 1745 1 5 . 1 1 37 37 SER H H 37 8.474 8.474 8.421 0.053 25656 1746 1 5 . 1 1 38 38 GLY N N 38 112.083 112.083 108.940 3.143 25656 1747 1 5 . 1 1 38 38 GLY C C 38 175.790 175.790 173.130 2.660 25656 1748 1 5 . 1 1 38 38 GLY CA C 38 46.419 46.419 45.522 0.897 25656 1749 1 5 . 1 1 38 38 GLY H H 38 8.921 8.921 8.356 0.565 25656 1750 1 5 . 1 1 39 39 LYS N N 39 121.180 121.180 118.343 2.837 25656 1751 1 5 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.247 -0.141 25656 1752 1 5 . 1 1 39 39 LYS C C 39 178.014 178.014 177.386 0.628 25656 1753 1 5 . 1 1 39 39 LYS CA C 39 58.109 58.109 58.359 -0.250 25656 1754 1 5 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.833 -0.478 25656 1755 1 5 . 1 1 39 39 LYS H H 39 8.361 8.361 8.566 -0.205 25656 1756 1 5 . 1 1 40 40 MET N N 40 118.268 118.268 117.222 1.046 25656 1757 1 5 . 1 1 40 40 MET HA H 40 4.320 4.320 4.188 0.132 25656 1758 1 5 . 1 1 40 40 MET C C 40 177.027 177.027 178.140 -1.113 25656 1759 1 5 . 1 1 40 40 MET CA C 40 56.473 56.473 56.692 -0.219 25656 1760 1 5 . 1 1 40 40 MET CB C 40 32.505 32.505 31.923 0.582 25656 1761 1 5 . 1 1 40 40 MET H H 40 7.888 7.888 8.067 -0.179 25656 1762 1 5 . 1 1 41 41 ARG N N 41 119.656 119.656 119.646 0.010 25656 1763 1 5 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.174 -0.159 25656 1764 1 5 . 1 1 41 41 ARG C C 41 177.123 177.123 177.665 -0.542 25656 1765 1 5 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.516 -0.753 25656 1766 1 5 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.503 0.555 25656 1767 1 5 . 1 1 41 41 ARG H H 41 7.872 7.872 8.180 -0.308 25656 1768 1 5 . 1 1 42 42 MET N N 42 117.106 117.106 116.539 0.567 25656 1769 1 5 . 1 1 42 42 MET HA H 42 4.218 4.218 4.328 -0.110 25656 1770 1 5 . 1 1 42 42 MET C C 42 176.078 176.078 175.846 0.232 25656 1771 1 5 . 1 1 42 42 MET CA C 42 56.295 56.295 54.898 1.397 25656 1772 1 5 . 1 1 42 42 MET CB C 42 32.024 32.024 32.205 -0.180 25656 1773 1 5 . 1 1 42 42 MET H H 42 7.839 7.839 7.797 0.042 25656 1774 1 5 . 1 1 43 43 HIS N N 43 117.200 117.200 116.520 0.680 25656 1775 1 5 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.539 -0.054 25656 1776 1 5 . 1 1 43 43 HIS C C 43 174.357 174.357 174.916 -0.559 25656 1777 1 5 . 1 1 43 43 HIS CA C 43 55.848 55.848 54.745 1.103 25656 1778 1 5 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.489 0.516 25656 1779 1 5 . 1 1 43 43 HIS H H 43 7.720 7.720 7.458 0.262 25656 1780 1 5 . 1 1 44 44 TYR N N 44 119.368 119.368 115.983 3.385 25656 1781 1 5 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.164 0.178 25656 1782 1 5 . 1 1 44 44 TYR C C 44 175.078 175.078 175.221 -0.143 25656 1783 1 5 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.462 -0.227 25656 1784 1 5 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.165 2.731 25656 1785 1 5 . 1 1 44 44 TYR H H 44 7.817 7.817 7.532 0.285 25656 1786 1 5 . 1 1 45 45 ILE N N 45 122.575 122.575 116.976 5.599 25656 1787 1 5 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.218 -0.339 25656 1788 1 5 . 1 1 45 45 ILE C C 45 174.785 174.785 176.965 -2.180 25656 1789 1 5 . 1 1 45 45 ILE CA C 45 60.823 60.823 61.254 -0.431 25656 1790 1 5 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.618 0.283 25656 1791 1 5 . 1 1 45 45 ILE H H 45 7.476 7.476 8.009 -0.533 25656 1792 1 5 . 1 1 46 46 ARG N N 46 125.127 125.127 120.812 4.315 25656 1793 1 5 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.569 -0.339 25656 1794 1 5 . 1 1 46 46 ARG C C 46 174.757 174.757 174.411 0.346 25656 1795 1 5 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.592 0.203 25656 1796 1 5 . 1 1 46 46 ARG CB C 46 30.700 30.700 30.609 0.091 25656 1797 1 5 . 1 1 46 46 ARG H H 46 8.112 8.112 8.473 -0.361 25656 1798 1 5 . 1 1 47 47 ILE N N 47 125.531 125.531 121.119 4.412 25656 1799 1 5 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.064 0.040 25656 1800 1 5 . 1 1 47 47 ILE C C 47 174.500 174.500 176.144 -1.644 25656 1801 1 5 . 1 1 47 47 ILE CA C 47 60.580 60.580 61.758 -1.178 25656 1802 1 5 . 1 1 47 47 ILE CB C 47 38.399 38.399 38.548 -0.149 25656 1803 1 5 . 1 1 47 47 ILE H H 47 7.781 7.781 8.024 -0.243 25656 1804 1 5 . 1 1 48 48 LEU N N 48 129.762 129.762 124.355 5.407 25656 1805 1 5 . 1 1 48 48 LEU HA H 48 4.910 4.910 5.131 -0.221 25656 1806 1 5 . 1 1 48 48 LEU C C 48 174.536 174.536 174.505 0.031 25656 1807 1 5 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.253 9.396 25656 1808 1 5 . 1 1 48 48 LEU CB C 48 38.412 38.412 44.587 -6.176 25656 1809 1 5 . 1 1 48 48 LEU H H 48 8.754 8.754 7.880 0.874 25656 1810 1 5 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.480 -0.633 25656 1811 1 5 . 1 1 49 49 PRO C C 49 177.177 177.177 177.136 0.041 25656 1812 1 5 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.555 0.221 25656 1813 1 5 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.485 -0.378 25656 1814 1 5 . 1 1 50 50 GLY N N 50 115.039 115.039 113.387 1.652 25656 1815 1 5 . 1 1 50 50 GLY C C 50 174.684 174.684 173.332 1.352 25656 1816 1 5 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.746 -0.404 25656 1817 1 5 . 1 1 50 50 GLY H H 50 9.247 9.247 8.383 0.864 25656 1818 1 5 . 1 1 51 51 ASP N N 51 122.122 122.122 121.026 1.096 25656 1819 1 5 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.764 -0.272 25656 1820 1 5 . 1 1 51 51 ASP C C 51 175.571 175.571 175.114 0.457 25656 1821 1 5 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.110 2.194 25656 1822 1 5 . 1 1 51 51 ASP CB C 51 40.824 40.824 43.229 -2.405 25656 1823 1 5 . 1 1 51 51 ASP H H 51 8.157 8.157 7.692 0.465 25656 1824 1 5 . 1 1 52 52 LYS N N 52 121.252 121.252 125.242 -3.990 25656 1825 1 5 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.655 0.327 25656 1826 1 5 . 1 1 52 52 LYS C C 52 176.797 176.797 176.154 0.643 25656 1827 1 5 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.769 -2.024 25656 1828 1 5 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.884 -0.648 25656 1829 1 5 . 1 1 52 52 LYS H H 52 8.501 8.501 8.658 -0.157 25656 1830 1 5 . 1 1 53 53 VAL N N 53 114.328 114.328 121.140 -6.812 25656 1831 1 5 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.637 0.212 25656 1832 1 5 . 1 1 53 53 VAL C C 53 174.261 174.261 173.887 0.374 25656 1833 1 5 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.315 -1.146 25656 1834 1 5 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.898 -0.228 25656 1835 1 5 . 1 1 53 53 VAL H H 53 8.552 8.552 9.197 -0.645 25656 1836 1 5 . 1 1 54 54 THR N N 54 117.790 117.790 117.778 0.012 25656 1837 1 5 . 1 1 54 54 THR HA H 54 4.642 4.642 5.202 -0.560 25656 1838 1 5 . 1 1 54 54 THR C C 54 173.653 173.653 173.859 -0.206 25656 1839 1 5 . 1 1 54 54 THR CA C 54 62.276 62.276 61.798 0.478 25656 1840 1 5 . 1 1 54 54 THR CB C 54 69.042 69.042 69.935 -0.893 25656 1841 1 5 . 1 1 54 54 THR H H 54 8.421 8.421 8.099 0.322 25656 1842 1 5 . 1 1 55 55 VAL N N 55 120.671 120.671 117.671 3.000 25656 1843 1 5 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.071 0.164 25656 1844 1 5 . 1 1 55 55 VAL C C 55 174.027 174.027 173.941 0.086 25656 1845 1 5 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.403 -1.511 25656 1846 1 5 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.280 -0.958 25656 1847 1 5 . 1 1 55 55 VAL H H 55 9.096 9.096 9.142 -0.046 25656 1848 1 5 . 1 1 56 56 GLU N N 56 121.070 121.070 125.501 -4.431 25656 1849 1 5 . 1 1 56 56 GLU HA H 56 5.185 5.185 4.720 0.465 25656 1850 1 5 . 1 1 56 56 GLU C C 56 175.974 175.974 174.609 1.365 25656 1851 1 5 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.274 -0.922 25656 1852 1 5 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.248 0.613 25656 1853 1 5 . 1 1 56 56 GLU H H 56 9.094 9.094 8.516 0.578 25656 1854 1 5 . 1 1 57 57 LEU N N 57 124.646 124.646 128.858 -4.212 25656 1855 1 5 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.772 0.047 25656 1856 1 5 . 1 1 57 57 LEU C C 57 175.906 175.906 175.198 0.708 25656 1857 1 5 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.844 0.641 25656 1858 1 5 . 1 1 57 57 LEU CB C 57 43.356 43.356 46.220 -2.864 25656 1859 1 5 . 1 1 57 57 LEU H H 57 9.030 9.030 7.880 1.150 25656 1860 1 5 . 1 1 58 58 THR N N 58 115.858 115.858 117.259 -1.401 25656 1861 1 5 . 1 1 58 58 THR HA H 58 4.841 4.841 4.843 -0.002 25656 1862 1 5 . 1 1 58 58 THR C C 58 174.000 174.000 174.605 -0.605 25656 1863 1 5 . 1 1 58 58 THR CA C 58 58.292 58.292 58.630 -0.339 25656 1864 1 5 . 1 1 58 58 THR CB C 58 68.768 68.768 68.126 0.641 25656 1865 1 5 . 1 1 58 58 THR H H 58 8.743 8.743 8.653 0.090 25656 1866 1 5 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.286 -0.300 25656 1867 1 5 . 1 1 59 59 PRO C C 59 176.595 176.595 177.532 -0.937 25656 1868 1 5 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.467 -0.316 25656 1869 1 5 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.558 0.152 25656 1870 1 5 . 1 1 60 60 TYR N N 60 113.107 113.107 117.180 -4.073 25656 1871 1 5 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.341 0.038 25656 1872 1 5 . 1 1 60 60 TYR C C 60 175.399 175.399 175.986 -0.587 25656 1873 1 5 . 1 1 60 60 TYR CA C 60 57.467 57.467 58.967 -1.500 25656 1874 1 5 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.081 -0.471 25656 1875 1 5 . 1 1 60 60 TYR H H 60 7.112 7.112 7.681 -0.569 25656 1876 1 5 . 1 1 61 61 ASP N N 61 118.812 118.812 116.858 1.954 25656 1877 1 5 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.797 -0.150 25656 1878 1 5 . 1 1 61 61 ASP C C 61 175.315 175.315 175.486 -0.171 25656 1879 1 5 . 1 1 61 61 ASP CA C 61 53.770 53.770 54.049 -0.279 25656 1880 1 5 . 1 1 61 61 ASP CB C 61 40.718 40.718 42.117 -1.399 25656 1881 1 5 . 1 1 61 61 ASP H H 61 7.389 7.389 7.565 -0.176 25656 1882 1 5 . 1 1 62 62 LEU N N 62 123.980 123.980 121.899 2.081 25656 1883 1 5 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.682 -0.390 25656 1884 1 5 . 1 1 62 62 LEU C C 62 175.285 175.285 176.185 -0.900 25656 1885 1 5 . 1 1 62 62 LEU CA C 62 53.827 53.827 54.576 -0.749 25656 1886 1 5 . 1 1 62 62 LEU CB C 62 40.743 40.743 41.511 -0.768 25656 1887 1 5 . 1 1 62 62 LEU H H 62 8.546 8.546 8.353 0.193 25656 1888 1 5 . 1 1 63 63 SER N N 63 113.177 113.177 113.579 -0.402 25656 1889 1 5 . 1 1 63 63 SER HA H 63 4.506 4.506 4.652 -0.146 25656 1890 1 5 . 1 1 63 63 SER C C 63 174.295 174.295 174.137 0.158 25656 1891 1 5 . 1 1 63 63 SER CA C 63 59.561 59.561 57.785 1.776 25656 1892 1 5 . 1 1 63 63 SER CB C 63 64.377 64.377 64.145 0.232 25656 1893 1 5 . 1 1 63 63 SER H H 63 8.307 8.307 8.095 0.211 25656 1894 1 5 . 1 1 64 64 ARG N N 64 121.271 121.271 116.956 4.315 25656 1895 1 5 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.873 0.123 25656 1896 1 5 . 1 1 64 64 ARG C C 64 174.350 174.350 173.493 0.857 25656 1897 1 5 . 1 1 64 64 ARG CA C 64 54.956 54.956 56.073 -1.117 25656 1898 1 5 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.574 1.198 25656 1899 1 5 . 1 1 64 64 ARG H H 64 7.477 7.477 7.305 0.172 25656 1900 1 5 . 1 1 65 65 ALA N N 65 121.899 121.899 125.780 -3.881 25656 1901 1 5 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.112 -0.291 25656 1902 1 5 . 1 1 65 65 ALA C C 65 175.764 175.764 175.235 0.529 25656 1903 1 5 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.438 0.676 25656 1904 1 5 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.293 -0.846 25656 1905 1 5 . 1 1 65 65 ALA H H 65 8.371 8.371 8.864 -0.493 25656 1906 1 5 . 1 1 66 66 ARG N N 66 120.933 120.933 118.270 2.663 25656 1907 1 5 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.595 0.087 25656 1908 1 5 . 1 1 66 66 ARG C C 66 175.669 175.669 175.351 0.318 25656 1909 1 5 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.598 -0.396 25656 1910 1 5 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.604 1.093 25656 1911 1 5 . 1 1 66 66 ARG H H 66 8.531 8.531 8.698 -0.167 25656 1912 1 5 . 1 1 67 67 ILE N N 67 125.277 125.277 124.028 1.249 25656 1913 1 5 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.028 0.504 25656 1914 1 5 . 1 1 67 67 ILE C C 67 174.856 174.856 175.506 -0.650 25656 1915 1 5 . 1 1 67 67 ILE CA C 67 60.726 60.726 60.722 0.004 25656 1916 1 5 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.367 -1.851 25656 1917 1 5 . 1 1 67 67 ILE H H 67 8.720 8.720 7.909 0.811 25656 1918 1 5 . 1 1 68 68 VAL N N 68 128.292 128.292 126.136 2.156 25656 1919 1 5 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.326 0.346 25656 1920 1 5 . 1 1 68 68 VAL C C 68 176.302 176.302 176.114 0.188 25656 1921 1 5 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.233 -5.206 25656 1922 1 5 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.074 -0.379 25656 1923 1 5 . 1 1 68 68 VAL H H 68 9.141 9.141 8.522 0.619 25656 1924 1 5 . 1 1 69 69 PHE N N 69 129.227 129.227 122.438 6.789 25656 1925 1 5 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.330 0.349 25656 1926 1 5 . 1 1 69 69 PHE C C 69 176.295 176.295 176.320 -0.025 25656 1927 1 5 . 1 1 69 69 PHE CA C 69 55.054 55.054 59.161 -4.107 25656 1928 1 5 . 1 1 69 69 PHE CB C 69 33.698 33.698 39.494 -5.796 25656 1929 1 5 . 1 1 69 69 PHE H H 69 9.256 9.256 8.556 0.700 25656 1930 1 5 . 1 1 70 70 ARG N N 70 121.729 121.729 118.398 3.331 25656 1931 1 5 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.141 -0.114 25656 1932 1 5 . 1 1 70 70 ARG C C 70 176.193 176.193 175.572 0.621 25656 1933 1 5 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.752 -0.092 25656 1934 1 5 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.161 -0.151 25656 1935 1 5 . 1 1 70 70 ARG H H 70 8.277 8.277 8.479 -0.202 25656 1936 1 5 . 1 1 71 71 ALA N N 71 124.554 124.554 124.277 0.277 25656 1937 1 5 . 1 1 71 71 ALA C C 71 177.627 177.627 176.405 1.222 25656 1938 1 5 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.452 1.027 25656 1939 1 5 . 1 1 71 71 ALA CB C 71 19.027 19.027 20.635 -1.608 25656 1940 1 5 . 1 1 71 71 ALA H H 71 8.166 8.166 7.982 0.184 25656 1941 1 6 . 1 1 2 2 ALA N N 2 125.535 125.535 123.997 1.538 25656 1942 1 6 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.577 -0.334 25656 1943 1 6 . 1 1 2 2 ALA C C 2 177.715 177.715 176.863 0.852 25656 1944 1 6 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.931 0.512 25656 1945 1 6 . 1 1 2 2 ALA CB C 2 19.244 19.244 21.140 -1.896 25656 1946 1 6 . 1 1 2 2 ALA H H 2 8.245 8.245 7.812 0.433 25656 1947 1 6 . 1 1 3 3 LYS N N 3 120.509 120.509 119.383 1.126 25656 1948 1 6 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.075 0.133 25656 1949 1 6 . 1 1 3 3 LYS C C 3 176.294 176.294 175.478 0.816 25656 1950 1 6 . 1 1 3 3 LYS CA C 3 56.446 56.446 56.526 -0.080 25656 1951 1 6 . 1 1 3 3 LYS CB C 3 32.804 32.804 31.261 1.543 25656 1952 1 6 . 1 1 3 3 LYS H H 3 8.233 8.233 8.501 -0.268 25656 1953 1 6 . 1 1 4 4 ASP N N 4 120.299 120.299 119.500 0.799 25656 1954 1 6 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.417 0.146 25656 1955 1 6 . 1 1 4 4 ASP C C 4 175.657 175.657 175.519 0.138 25656 1956 1 6 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.542 -0.264 25656 1957 1 6 . 1 1 4 4 ASP CB C 4 41.054 41.054 41.811 -0.757 25656 1958 1 6 . 1 1 4 4 ASP H H 4 8.185 8.185 7.911 0.274 25656 1959 1 6 . 1 1 5 5 ASP N N 5 120.293 120.293 120.986 -0.693 25656 1960 1 6 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.809 -0.284 25656 1961 1 6 . 1 1 5 5 ASP C C 5 175.396 175.396 175.016 0.380 25656 1962 1 6 . 1 1 5 5 ASP CA C 5 54.433 54.433 54.003 0.430 25656 1963 1 6 . 1 1 5 5 ASP CB C 5 41.072 41.072 40.662 0.410 25656 1964 1 6 . 1 1 5 5 ASP H H 5 8.082 8.082 8.640 -0.558 25656 1965 1 6 . 1 1 6 6 VAL N N 6 116.889 116.889 116.794 0.095 25656 1966 1 6 . 1 1 6 6 VAL HA H 6 4.384 4.384 5.230 -0.846 25656 1967 1 6 . 1 1 6 6 VAL C C 6 175.536 175.536 174.502 1.034 25656 1968 1 6 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.294 0.902 25656 1969 1 6 . 1 1 6 6 VAL CB C 6 34.079 34.079 33.214 0.865 25656 1970 1 6 . 1 1 6 6 VAL H H 6 7.692 7.692 7.544 0.148 25656 1971 1 6 . 1 1 7 7 ILE N N 7 123.931 123.931 121.465 2.466 25656 1972 1 6 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.650 -0.331 25656 1973 1 6 . 1 1 7 7 ILE C C 7 174.693 174.693 174.374 0.319 25656 1974 1 6 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.622 -0.651 25656 1975 1 6 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.260 -0.510 25656 1976 1 6 . 1 1 7 7 ILE H H 7 8.638 8.638 7.944 0.694 25656 1977 1 6 . 1 1 8 8 GLN N N 8 123.223 123.223 126.324 -3.101 25656 1978 1 6 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.882 0.578 25656 1979 1 6 . 1 1 8 8 GLN C C 8 175.824 175.824 175.321 0.503 25656 1980 1 6 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.629 -1.514 25656 1981 1 6 . 1 1 8 8 GLN CB C 8 30.721 30.721 30.116 0.605 25656 1982 1 6 . 1 1 8 8 GLN H H 8 8.381 8.381 8.432 -0.051 25656 1983 1 6 . 1 1 9 9 MET N N 9 121.931 121.931 121.766 0.165 25656 1984 1 6 . 1 1 9 9 MET HA H 9 4.657 4.657 4.807 -0.150 25656 1985 1 6 . 1 1 9 9 MET C C 9 173.567 173.567 174.241 -0.674 25656 1986 1 6 . 1 1 9 9 MET CA C 9 54.778 54.778 53.659 1.119 25656 1987 1 6 . 1 1 9 9 MET CB C 9 38.194 38.194 37.752 0.442 25656 1988 1 6 . 1 1 9 9 MET H H 9 8.858 8.858 8.994 -0.136 25656 1989 1 6 . 1 1 10 10 GLN N N 10 119.772 119.772 120.091 -0.319 25656 1990 1 6 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.678 0.371 25656 1991 1 6 . 1 1 10 10 GLN C C 10 175.878 175.878 175.798 0.080 25656 1992 1 6 . 1 1 10 10 GLN CA C 10 54.620 54.620 54.797 -0.177 25656 1993 1 6 . 1 1 10 10 GLN CB C 10 30.978 30.978 28.288 2.689 25656 1994 1 6 . 1 1 10 10 GLN H H 10 8.768 8.768 8.606 0.162 25656 1995 1 6 . 1 1 11 11 GLY N N 11 106.316 106.316 110.531 -4.215 25656 1996 1 6 . 1 1 11 11 GLY C C 11 170.761 170.761 172.371 -1.610 25656 1997 1 6 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.795 1.828 25656 1998 1 6 . 1 1 11 11 GLY H H 11 8.708 8.708 8.486 0.222 25656 1999 1 6 . 1 1 12 12 GLU N N 12 120.360 120.360 118.851 1.509 25656 2000 1 6 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.239 -0.104 25656 2001 1 6 . 1 1 12 12 GLU C C 12 175.783 175.783 175.869 -0.086 25656 2002 1 6 . 1 1 12 12 GLU CA C 12 53.581 53.581 54.336 -0.755 25656 2003 1 6 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.941 -0.184 25656 2004 1 6 . 1 1 12 12 GLU H H 12 8.438 8.438 8.455 -0.017 25656 2005 1 6 . 1 1 13 13 VAL N N 13 126.730 126.730 125.131 1.599 25656 2006 1 6 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.079 -0.255 25656 2007 1 6 . 1 1 13 13 VAL C C 13 176.691 176.691 175.122 1.569 25656 2008 1 6 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.671 0.018 25656 2009 1 6 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.249 0.276 25656 2010 1 6 . 1 1 13 13 VAL H H 13 8.957 8.957 8.754 0.203 25656 2011 1 6 . 1 1 14 14 ILE N N 14 124.542 124.542 127.853 -3.311 25656 2012 1 6 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.349 0.227 25656 2013 1 6 . 1 1 14 14 ILE C C 14 175.731 175.731 175.280 0.451 25656 2014 1 6 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.351 0.845 25656 2015 1 6 . 1 1 14 14 ILE CB C 14 39.570 39.570 40.225 -0.655 25656 2016 1 6 . 1 1 14 14 ILE H H 14 9.314 9.314 8.895 0.419 25656 2017 1 6 . 1 1 15 15 GLU N N 15 119.317 119.317 118.992 0.325 25656 2018 1 6 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.653 -0.282 25656 2019 1 6 . 1 1 15 15 GLU C C 15 173.127 173.127 174.213 -1.086 25656 2020 1 6 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.348 1.267 25656 2021 1 6 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.785 0.505 25656 2022 1 6 . 1 1 15 15 GLU H H 15 7.442 7.442 7.712 -0.270 25656 2023 1 6 . 1 1 16 16 ASN N N 16 127.204 127.204 119.062 8.142 25656 2024 1 6 . 1 1 16 16 ASN HA H 16 4.689 4.689 5.056 -0.367 25656 2025 1 6 . 1 1 16 16 ASN C C 16 174.024 174.024 174.504 -0.480 25656 2026 1 6 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.636 0.404 25656 2027 1 6 . 1 1 16 16 ASN CB C 16 37.673 37.673 40.351 -2.678 25656 2028 1 6 . 1 1 16 16 ASN H H 16 9.025 9.025 8.499 0.526 25656 2029 1 6 . 1 1 17 17 LEU N N 17 125.683 125.683 120.506 5.177 25656 2030 1 6 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.926 -0.279 25656 2031 1 6 . 1 1 17 17 LEU C C 17 174.040 174.040 174.968 -0.928 25656 2032 1 6 . 1 1 17 17 LEU CA C 17 53.306 53.306 52.436 0.870 25656 2033 1 6 . 1 1 17 17 LEU CB C 17 37.687 37.687 45.728 -8.041 25656 2034 1 6 . 1 1 17 17 LEU H H 17 8.034 8.034 8.419 -0.385 25656 2035 1 6 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.449 -0.161 25656 2036 1 6 . 1 1 18 18 PRO C C 18 176.016 176.016 177.080 -1.064 25656 2037 1 6 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.881 0.486 25656 2038 1 6 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.210 -0.119 25656 2039 1 6 . 1 1 19 19 ASN N N 19 116.522 116.522 115.774 0.748 25656 2040 1 6 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.270 -0.025 25656 2041 1 6 . 1 1 19 19 ASN C C 19 174.993 174.993 174.165 0.828 25656 2042 1 6 . 1 1 19 19 ASN CA C 19 53.571 53.571 54.056 -0.485 25656 2043 1 6 . 1 1 19 19 ASN CB C 19 36.724 36.724 37.510 -0.786 25656 2044 1 6 . 1 1 19 19 ASN H H 19 8.567 8.567 8.832 -0.265 25656 2045 1 6 . 1 1 20 20 ALA N N 20 118.637 118.637 115.891 2.746 25656 2046 1 6 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.847 -0.126 25656 2047 1 6 . 1 1 20 20 ALA C C 20 175.092 175.092 175.707 -0.615 25656 2048 1 6 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.059 -0.081 25656 2049 1 6 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.395 -0.291 25656 2050 1 6 . 1 1 20 20 ALA H H 20 8.525 8.525 8.215 0.310 25656 2051 1 6 . 1 1 21 21 THR N N 21 108.302 108.302 108.769 -0.467 25656 2052 1 6 . 1 1 21 21 THR HA H 21 4.885 4.885 5.032 -0.147 25656 2053 1 6 . 1 1 21 21 THR C C 21 172.847 172.847 173.141 -0.294 25656 2054 1 6 . 1 1 21 21 THR CA C 21 60.830 60.830 59.604 1.226 25656 2055 1 6 . 1 1 21 21 THR CB C 21 71.112 71.112 70.667 0.445 25656 2056 1 6 . 1 1 21 21 THR H H 21 6.252 6.252 7.329 -1.077 25656 2057 1 6 . 1 1 23 23 ARG N N 23 123.805 123.805 120.786 3.019 25656 2058 1 6 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.488 -0.558 25656 2059 1 6 . 1 1 23 23 ARG C C 23 174.832 174.832 175.130 -0.298 25656 2060 1 6 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.780 1.638 25656 2061 1 6 . 1 1 23 23 ARG CB C 23 31.445 31.445 33.027 -1.582 25656 2062 1 6 . 1 1 23 23 ARG H H 23 8.987 8.987 8.697 0.290 25656 2063 1 6 . 1 1 24 24 VAL N N 24 127.572 127.572 119.136 8.436 25656 2064 1 6 . 1 1 24 24 VAL C C 24 173.297 173.297 174.169 -0.872 25656 2065 1 6 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.813 1.026 25656 2066 1 6 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.881 -1.240 25656 2067 1 6 . 1 1 24 24 VAL H H 24 9.349 9.349 8.855 0.494 25656 2068 1 6 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.418 -0.214 25656 2069 1 6 . 1 1 26 26 LEU C C 26 174.549 174.549 178.408 -3.859 25656 2070 1 6 . 1 1 26 26 LEU CA C 26 56.400 56.400 54.601 1.799 25656 2071 1 6 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.399 -6.379 25656 2072 1 6 . 1 1 27 27 GLU N N 27 119.804 119.804 117.425 2.379 25656 2073 1 6 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.216 -0.138 25656 2074 1 6 . 1 1 27 27 GLU C C 27 176.188 176.188 177.262 -1.074 25656 2075 1 6 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.324 0.200 25656 2076 1 6 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.278 0.330 25656 2077 1 6 . 1 1 27 27 GLU H H 27 8.393 8.393 8.685 -0.292 25656 2078 1 6 . 1 1 28 28 ASN N N 28 113.245 113.245 117.973 -4.728 25656 2079 1 6 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.620 -0.059 25656 2080 1 6 . 1 1 28 28 ASN C C 28 176.329 176.329 176.105 0.224 25656 2081 1 6 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.607 -1.306 25656 2082 1 6 . 1 1 28 28 ASN CB C 28 37.467 37.467 39.003 -1.536 25656 2083 1 6 . 1 1 28 28 ASN H H 28 7.100 7.100 8.571 -1.471 25656 2084 1 6 . 1 1 29 29 GLY N N 29 108.088 108.088 106.630 1.458 25656 2085 1 6 . 1 1 29 29 GLY C C 29 174.238 174.238 173.954 0.284 25656 2086 1 6 . 1 1 29 29 GLY CA C 29 45.066 45.066 45.200 -0.134 25656 2087 1 6 . 1 1 29 29 GLY H H 29 8.228 8.228 8.341 -0.113 25656 2088 1 6 . 1 1 30 30 HIS N N 30 119.594 119.594 118.303 1.291 25656 2089 1 6 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.672 -0.130 25656 2090 1 6 . 1 1 30 30 HIS C C 30 173.598 173.598 174.592 -0.994 25656 2091 1 6 . 1 1 30 30 HIS CA C 30 55.603 55.603 54.522 1.081 25656 2092 1 6 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.373 -0.707 25656 2093 1 6 . 1 1 30 30 HIS H H 30 7.840 7.840 7.944 -0.104 25656 2094 1 6 . 1 1 31 31 VAL N N 31 123.476 123.476 117.219 6.257 25656 2095 1 6 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.661 0.327 25656 2096 1 6 . 1 1 31 31 VAL C C 31 176.217 176.217 175.360 0.857 25656 2097 1 6 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.501 0.847 25656 2098 1 6 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.348 -0.740 25656 2099 1 6 . 1 1 31 31 VAL H H 31 8.384 8.384 8.287 0.097 25656 2100 1 6 . 1 1 32 32 VAL N N 32 119.944 119.944 121.253 -1.309 25656 2101 1 6 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.491 0.200 25656 2102 1 6 . 1 1 32 32 VAL C C 32 173.802 173.802 174.884 -1.082 25656 2103 1 6 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.039 -1.712 25656 2104 1 6 . 1 1 32 32 VAL CB C 32 35.466 35.466 34.066 1.399 25656 2105 1 6 . 1 1 32 32 VAL H H 32 8.933 8.933 8.876 0.057 25656 2106 1 6 . 1 1 33 33 LEU N N 33 122.390 122.390 122.686 -0.296 25656 2107 1 6 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.472 -0.407 25656 2108 1 6 . 1 1 33 33 LEU C C 33 173.779 173.779 176.455 -2.676 25656 2109 1 6 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.334 5.083 25656 2110 1 6 . 1 1 33 33 LEU CB C 33 35.455 35.455 43.354 -7.899 25656 2111 1 6 . 1 1 33 33 LEU H H 33 8.075 8.075 8.343 -0.268 25656 2112 1 6 . 1 1 34 34 GLY N N 34 111.534 111.534 108.880 2.654 25656 2113 1 6 . 1 1 34 34 GLY C C 34 171.754 171.754 172.306 -0.552 25656 2114 1 6 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.475 -1.723 25656 2115 1 6 . 1 1 34 34 GLY H H 34 9.710 9.710 8.430 1.280 25656 2116 1 6 . 1 1 35 35 HIS N N 35 117.412 117.412 116.139 1.273 25656 2117 1 6 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.179 0.217 25656 2118 1 6 . 1 1 35 35 HIS C C 35 173.973 173.973 173.869 0.104 25656 2119 1 6 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.432 0.976 25656 2120 1 6 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.794 -0.359 25656 2121 1 6 . 1 1 35 35 HIS H H 35 8.002 8.002 7.985 0.017 25656 2122 1 6 . 1 1 36 36 ILE N N 36 122.073 122.073 123.106 -1.033 25656 2123 1 6 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.136 0.204 25656 2124 1 6 . 1 1 36 36 ILE C C 36 175.549 175.549 174.843 0.706 25656 2125 1 6 . 1 1 36 36 ILE CA C 36 61.351 61.351 60.395 0.956 25656 2126 1 6 . 1 1 36 36 ILE CB C 36 39.145 39.145 38.695 0.450 25656 2127 1 6 . 1 1 36 36 ILE H H 36 9.102 9.102 8.210 0.892 25656 2128 1 6 . 1 1 37 37 SER N N 37 121.153 121.153 124.236 -3.083 25656 2129 1 6 . 1 1 37 37 SER HA H 37 4.519 4.519 4.878 -0.359 25656 2130 1 6 . 1 1 37 37 SER C C 37 174.975 174.975 173.233 1.742 25656 2131 1 6 . 1 1 37 37 SER CA C 37 57.656 57.656 56.944 0.712 25656 2132 1 6 . 1 1 37 37 SER CB C 37 64.856 64.856 65.943 -1.087 25656 2133 1 6 . 1 1 37 37 SER H H 37 8.474 8.474 8.425 0.049 25656 2134 1 6 . 1 1 38 38 GLY N N 38 112.083 112.083 108.843 3.240 25656 2135 1 6 . 1 1 38 38 GLY C C 38 175.790 175.790 174.132 1.658 25656 2136 1 6 . 1 1 38 38 GLY CA C 38 46.419 46.419 44.587 1.832 25656 2137 1 6 . 1 1 38 38 GLY H H 38 8.921 8.921 8.168 0.753 25656 2138 1 6 . 1 1 39 39 LYS N N 39 121.180 121.180 120.258 0.922 25656 2139 1 6 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.228 -0.122 25656 2140 1 6 . 1 1 39 39 LYS C C 39 178.014 178.014 178.453 -0.439 25656 2141 1 6 . 1 1 39 39 LYS CA C 39 58.109 58.109 58.144 -0.035 25656 2142 1 6 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.574 -0.219 25656 2143 1 6 . 1 1 39 39 LYS H H 39 8.361 8.361 8.533 -0.172 25656 2144 1 6 . 1 1 40 40 MET N N 40 118.268 118.268 117.303 0.965 25656 2145 1 6 . 1 1 40 40 MET HA H 40 4.320 4.320 4.073 0.247 25656 2146 1 6 . 1 1 40 40 MET C C 40 177.027 177.027 177.546 -0.519 25656 2147 1 6 . 1 1 40 40 MET CA C 40 56.473 56.473 59.423 -2.950 25656 2148 1 6 . 1 1 40 40 MET CB C 40 32.505 32.505 32.143 0.362 25656 2149 1 6 . 1 1 40 40 MET H H 40 7.888 7.888 8.442 -0.554 25656 2150 1 6 . 1 1 41 41 ARG N N 41 119.656 119.656 116.862 2.794 25656 2151 1 6 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.056 -0.041 25656 2152 1 6 . 1 1 41 41 ARG C C 41 177.123 177.123 177.490 -0.367 25656 2153 1 6 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.683 -0.921 25656 2154 1 6 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.595 0.463 25656 2155 1 6 . 1 1 41 41 ARG H H 41 7.872 7.872 8.526 -0.654 25656 2156 1 6 . 1 1 42 42 MET N N 42 117.106 117.106 116.366 0.740 25656 2157 1 6 . 1 1 42 42 MET HA H 42 4.218 4.218 4.194 0.024 25656 2158 1 6 . 1 1 42 42 MET C C 42 176.078 176.078 177.473 -1.395 25656 2159 1 6 . 1 1 42 42 MET CA C 42 56.295 56.295 56.261 0.034 25656 2160 1 6 . 1 1 42 42 MET CB C 42 32.024 32.024 32.051 -0.027 25656 2161 1 6 . 1 1 42 42 MET H H 42 7.839 7.839 7.674 0.165 25656 2162 1 6 . 1 1 43 43 HIS N N 43 117.200 117.200 115.934 1.266 25656 2163 1 6 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.430 0.055 25656 2164 1 6 . 1 1 43 43 HIS C C 43 174.357 174.357 174.828 -0.471 25656 2165 1 6 . 1 1 43 43 HIS CA C 43 55.848 55.848 56.669 -0.821 25656 2166 1 6 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.906 0.099 25656 2167 1 6 . 1 1 43 43 HIS H H 43 7.720 7.720 7.701 0.019 25656 2168 1 6 . 1 1 44 44 TYR N N 44 119.368 119.368 115.690 3.678 25656 2169 1 6 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.220 0.122 25656 2170 1 6 . 1 1 44 44 TYR C C 44 175.078 175.078 174.979 0.099 25656 2171 1 6 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.915 -0.680 25656 2172 1 6 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.075 2.821 25656 2173 1 6 . 1 1 44 44 TYR H H 44 7.817 7.817 7.365 0.452 25656 2174 1 6 . 1 1 45 45 ILE N N 45 122.575 122.575 115.589 6.986 25656 2175 1 6 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.396 -0.517 25656 2176 1 6 . 1 1 45 45 ILE C C 45 174.785 174.785 176.348 -1.563 25656 2177 1 6 . 1 1 45 45 ILE CA C 45 60.823 60.823 59.864 0.959 25656 2178 1 6 . 1 1 45 45 ILE CB C 45 38.901 38.901 39.197 -0.296 25656 2179 1 6 . 1 1 45 45 ILE H H 45 7.476 7.476 7.836 -0.360 25656 2180 1 6 . 1 1 46 46 ARG N N 46 125.127 125.127 123.995 1.132 25656 2181 1 6 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.295 -0.065 25656 2182 1 6 . 1 1 46 46 ARG C C 46 174.757 174.757 175.391 -0.634 25656 2183 1 6 . 1 1 46 46 ARG CA C 46 55.795 55.795 56.480 -0.685 25656 2184 1 6 . 1 1 46 46 ARG CB C 46 30.700 30.700 30.293 0.407 25656 2185 1 6 . 1 1 46 46 ARG H H 46 8.112 8.112 8.537 -0.425 25656 2186 1 6 . 1 1 47 47 ILE N N 47 125.531 125.531 123.231 2.300 25656 2187 1 6 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.291 -0.187 25656 2188 1 6 . 1 1 47 47 ILE C C 47 174.500 174.500 174.961 -0.461 25656 2189 1 6 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.778 -0.198 25656 2190 1 6 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.639 -1.240 25656 2191 1 6 . 1 1 47 47 ILE H H 47 7.781 7.781 8.388 -0.607 25656 2192 1 6 . 1 1 48 48 LEU N N 48 129.762 129.762 126.333 3.429 25656 2193 1 6 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.751 0.159 25656 2194 1 6 . 1 1 48 48 LEU C C 48 174.536 174.536 174.289 0.247 25656 2195 1 6 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.805 8.844 25656 2196 1 6 . 1 1 48 48 LEU CB C 48 38.412 38.412 45.821 -7.409 25656 2197 1 6 . 1 1 48 48 LEU H H 48 8.754 8.754 8.069 0.685 25656 2198 1 6 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.358 -0.511 25656 2199 1 6 . 1 1 49 49 PRO C C 49 177.177 177.177 176.890 0.287 25656 2200 1 6 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.576 0.200 25656 2201 1 6 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.186 -0.079 25656 2202 1 6 . 1 1 50 50 GLY N N 50 115.039 115.039 113.791 1.248 25656 2203 1 6 . 1 1 50 50 GLY C C 50 174.684 174.684 173.647 1.037 25656 2204 1 6 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.661 -0.319 25656 2205 1 6 . 1 1 50 50 GLY H H 50 9.247 9.247 8.262 0.985 25656 2206 1 6 . 1 1 51 51 ASP N N 51 122.122 122.122 121.536 0.586 25656 2207 1 6 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.771 -0.279 25656 2208 1 6 . 1 1 51 51 ASP C C 51 175.571 175.571 175.347 0.224 25656 2209 1 6 . 1 1 51 51 ASP CA C 51 55.304 55.304 52.989 2.315 25656 2210 1 6 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.764 -1.940 25656 2211 1 6 . 1 1 51 51 ASP H H 51 8.157 8.157 7.731 0.426 25656 2212 1 6 . 1 1 52 52 LYS N N 52 121.252 121.252 123.233 -1.981 25656 2213 1 6 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.634 0.348 25656 2214 1 6 . 1 1 52 52 LYS C C 52 176.797 176.797 176.015 0.782 25656 2215 1 6 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.825 -2.080 25656 2216 1 6 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.808 -0.572 25656 2217 1 6 . 1 1 52 52 LYS H H 52 8.501 8.501 8.603 -0.102 25656 2218 1 6 . 1 1 53 53 VAL N N 53 114.328 114.328 121.629 -7.301 25656 2219 1 6 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.706 0.143 25656 2220 1 6 . 1 1 53 53 VAL C C 53 174.261 174.261 174.084 0.177 25656 2221 1 6 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.422 -1.253 25656 2222 1 6 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.006 0.664 25656 2223 1 6 . 1 1 53 53 VAL H H 53 8.552 8.552 9.030 -0.478 25656 2224 1 6 . 1 1 54 54 THR N N 54 117.790 117.790 120.300 -2.510 25656 2225 1 6 . 1 1 54 54 THR HA H 54 4.642 4.642 4.895 -0.253 25656 2226 1 6 . 1 1 54 54 THR C C 54 173.653 173.653 173.677 -0.024 25656 2227 1 6 . 1 1 54 54 THR CA C 54 62.276 62.276 63.193 -0.917 25656 2228 1 6 . 1 1 54 54 THR CB C 54 69.042 69.042 69.696 -0.654 25656 2229 1 6 . 1 1 54 54 THR H H 54 8.421 8.421 8.151 0.270 25656 2230 1 6 . 1 1 55 55 VAL N N 55 120.671 120.671 118.236 2.435 25656 2231 1 6 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.174 0.061 25656 2232 1 6 . 1 1 55 55 VAL C C 55 174.027 174.027 173.567 0.460 25656 2233 1 6 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.384 -1.492 25656 2234 1 6 . 1 1 55 55 VAL CB C 55 34.322 34.322 36.040 -1.718 25656 2235 1 6 . 1 1 55 55 VAL H H 55 9.096 9.096 8.979 0.117 25656 2236 1 6 . 1 1 56 56 GLU N N 56 121.070 121.070 122.419 -1.349 25656 2237 1 6 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.017 0.168 25656 2238 1 6 . 1 1 56 56 GLU C C 56 175.974 175.974 174.928 1.046 25656 2239 1 6 . 1 1 56 56 GLU CA C 56 54.352 54.352 54.212 0.140 25656 2240 1 6 . 1 1 56 56 GLU CB C 56 32.861 32.861 33.805 -0.944 25656 2241 1 6 . 1 1 56 56 GLU H H 56 9.094 9.094 8.363 0.731 25656 2242 1 6 . 1 1 57 57 LEU N N 57 124.646 124.646 128.867 -4.221 25656 2243 1 6 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.464 0.355 25656 2244 1 6 . 1 1 57 57 LEU C C 57 175.906 175.906 176.168 -0.262 25656 2245 1 6 . 1 1 57 57 LEU CA C 57 54.485 54.485 54.378 0.107 25656 2246 1 6 . 1 1 57 57 LEU CB C 57 43.356 43.356 42.749 0.607 25656 2247 1 6 . 1 1 57 57 LEU H H 57 9.030 9.030 8.149 0.881 25656 2248 1 6 . 1 1 58 58 THR N N 58 115.858 115.858 119.362 -3.504 25656 2249 1 6 . 1 1 58 58 THR HA H 58 4.841 4.841 4.478 0.363 25656 2250 1 6 . 1 1 58 58 THR C C 58 174.000 174.000 174.419 -0.419 25656 2251 1 6 . 1 1 58 58 THR CA C 58 58.292 58.292 61.290 -2.998 25656 2252 1 6 . 1 1 58 58 THR CB C 58 68.768 68.768 68.671 0.097 25656 2253 1 6 . 1 1 58 58 THR H H 58 8.743 8.743 8.079 0.664 25656 2254 1 6 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.385 -0.399 25656 2255 1 6 . 1 1 59 59 PRO C C 59 176.595 176.595 177.508 -0.913 25656 2256 1 6 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.533 -0.382 25656 2257 1 6 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.837 -0.127 25656 2258 1 6 . 1 1 60 60 TYR N N 60 113.107 113.107 119.061 -5.954 25656 2259 1 6 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.255 0.124 25656 2260 1 6 . 1 1 60 60 TYR C C 60 175.399 175.399 175.546 -0.147 25656 2261 1 6 . 1 1 60 60 TYR CA C 60 57.467 57.467 60.366 -2.899 25656 2262 1 6 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.904 -1.294 25656 2263 1 6 . 1 1 60 60 TYR H H 60 7.112 7.112 8.243 -1.131 25656 2264 1 6 . 1 1 61 61 ASP N N 61 118.812 118.812 113.437 5.375 25656 2265 1 6 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.797 -0.150 25656 2266 1 6 . 1 1 61 61 ASP C C 61 175.315 175.315 174.809 0.506 25656 2267 1 6 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.518 0.252 25656 2268 1 6 . 1 1 61 61 ASP CB C 61 40.718 40.718 43.302 -2.584 25656 2269 1 6 . 1 1 61 61 ASP H H 61 7.389 7.389 7.634 -0.245 25656 2270 1 6 . 1 1 62 62 LEU N N 62 123.980 123.980 119.238 4.742 25656 2271 1 6 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.525 -0.233 25656 2272 1 6 . 1 1 62 62 LEU C C 62 175.285 175.285 176.404 -1.119 25656 2273 1 6 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.202 -1.375 25656 2274 1 6 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.559 -1.815 25656 2275 1 6 . 1 1 62 62 LEU H H 62 8.546 8.546 8.383 0.163 25656 2276 1 6 . 1 1 63 63 SER N N 63 113.177 113.177 114.006 -0.829 25656 2277 1 6 . 1 1 63 63 SER HA H 63 4.506 4.506 4.536 -0.030 25656 2278 1 6 . 1 1 63 63 SER C C 63 174.295 174.295 173.614 0.681 25656 2279 1 6 . 1 1 63 63 SER CA C 63 59.561 59.561 58.379 1.182 25656 2280 1 6 . 1 1 63 63 SER CB C 63 64.377 64.377 62.999 1.377 25656 2281 1 6 . 1 1 63 63 SER H H 63 8.307 8.307 8.103 0.204 25656 2282 1 6 . 1 1 64 64 ARG N N 64 121.271 121.271 115.391 5.880 25656 2283 1 6 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.690 0.306 25656 2284 1 6 . 1 1 64 64 ARG C C 64 174.350 174.350 173.330 1.020 25656 2285 1 6 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.650 -0.694 25656 2286 1 6 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.211 1.561 25656 2287 1 6 . 1 1 64 64 ARG H H 64 7.477 7.477 7.388 0.089 25656 2288 1 6 . 1 1 65 65 ALA N N 65 121.899 121.899 125.711 -3.812 25656 2289 1 6 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.099 -0.278 25656 2290 1 6 . 1 1 65 65 ALA C C 65 175.764 175.764 175.188 0.576 25656 2291 1 6 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.064 1.050 25656 2292 1 6 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.348 -0.900 25656 2293 1 6 . 1 1 65 65 ALA H H 65 8.371 8.371 8.791 -0.420 25656 2294 1 6 . 1 1 66 66 ARG N N 66 120.933 120.933 118.907 2.026 25656 2295 1 6 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.412 0.270 25656 2296 1 6 . 1 1 66 66 ARG C C 66 175.669 175.669 175.429 0.240 25656 2297 1 6 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.440 -0.238 25656 2298 1 6 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.489 1.208 25656 2299 1 6 . 1 1 66 66 ARG H H 66 8.531 8.531 8.713 -0.182 25656 2300 1 6 . 1 1 67 67 ILE N N 67 125.277 125.277 124.340 0.937 25656 2301 1 6 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.001 0.531 25656 2302 1 6 . 1 1 67 67 ILE C C 67 174.856 174.856 174.955 -0.099 25656 2303 1 6 . 1 1 67 67 ILE CA C 67 60.726 60.726 62.395 -1.669 25656 2304 1 6 . 1 1 67 67 ILE CB C 67 34.516 34.516 38.218 -3.702 25656 2305 1 6 . 1 1 67 67 ILE H H 67 8.720 8.720 7.735 0.985 25656 2306 1 6 . 1 1 68 68 VAL N N 68 128.292 128.292 124.042 4.250 25656 2307 1 6 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.163 0.509 25656 2308 1 6 . 1 1 68 68 VAL C C 68 176.302 176.302 175.544 0.758 25656 2309 1 6 . 1 1 68 68 VAL CA C 68 55.027 55.027 59.489 -4.462 25656 2310 1 6 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.183 -0.488 25656 2311 1 6 . 1 1 68 68 VAL H H 68 9.141 9.141 8.307 0.834 25656 2312 1 6 . 1 1 69 69 PHE N N 69 129.227 129.227 118.926 10.301 25656 2313 1 6 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.423 0.256 25656 2314 1 6 . 1 1 69 69 PHE C C 69 176.295 176.295 175.868 0.427 25656 2315 1 6 . 1 1 69 69 PHE CA C 69 55.054 55.054 57.746 -2.692 25656 2316 1 6 . 1 1 69 69 PHE CB C 69 33.698 33.698 39.152 -5.454 25656 2317 1 6 . 1 1 69 69 PHE H H 69 9.256 9.256 7.731 1.525 25656 2318 1 6 . 1 1 70 70 ARG N N 70 121.729 121.729 120.581 1.148 25656 2319 1 6 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.311 -0.284 25656 2320 1 6 . 1 1 70 70 ARG C C 70 176.193 176.193 176.819 -0.626 25656 2321 1 6 . 1 1 70 70 ARG CA C 70 56.660 56.660 57.042 -0.382 25656 2322 1 6 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.552 -0.542 25656 2323 1 6 . 1 1 70 70 ARG H H 70 8.277 8.277 8.548 -0.271 25656 2324 1 6 . 1 1 71 71 ALA N N 71 124.554 124.554 126.038 -1.484 25656 2325 1 6 . 1 1 71 71 ALA C C 71 177.627 177.627 176.603 1.024 25656 2326 1 6 . 1 1 71 71 ALA CA C 71 52.479 52.479 52.158 0.321 25656 2327 1 6 . 1 1 71 71 ALA CB C 71 19.027 19.027 20.493 -1.466 25656 2328 1 6 . 1 1 71 71 ALA H H 71 8.166 8.166 8.142 0.024 25656 2329 1 7 . 1 1 2 2 ALA N N 2 125.535 125.535 124.638 0.897 25656 2330 1 7 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.436 -0.193 25656 2331 1 7 . 1 1 2 2 ALA C C 2 177.715 177.715 176.539 1.176 25656 2332 1 7 . 1 1 2 2 ALA CA C 2 52.443 52.443 52.066 0.377 25656 2333 1 7 . 1 1 2 2 ALA CB C 2 19.244 19.244 17.496 1.748 25656 2334 1 7 . 1 1 2 2 ALA H H 2 8.245 8.245 8.492 -0.247 25656 2335 1 7 . 1 1 3 3 LYS N N 3 120.509 120.509 121.861 -1.352 25656 2336 1 7 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.546 -0.338 25656 2337 1 7 . 1 1 3 3 LYS C C 3 176.294 176.294 175.341 0.953 25656 2338 1 7 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.192 1.254 25656 2339 1 7 . 1 1 3 3 LYS CB C 3 32.804 32.804 34.111 -1.307 25656 2340 1 7 . 1 1 3 3 LYS H H 3 8.233 8.233 7.738 0.495 25656 2341 1 7 . 1 1 4 4 ASP N N 4 120.299 120.299 122.785 -2.486 25656 2342 1 7 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.500 0.063 25656 2343 1 7 . 1 1 4 4 ASP C C 4 175.657 175.657 176.210 -0.553 25656 2344 1 7 . 1 1 4 4 ASP CA C 4 54.278 54.278 55.434 -1.155 25656 2345 1 7 . 1 1 4 4 ASP CB C 4 41.054 41.054 41.173 -0.119 25656 2346 1 7 . 1 1 4 4 ASP H H 4 8.185 8.185 8.532 -0.347 25656 2347 1 7 . 1 1 5 5 ASP N N 5 120.293 120.293 124.540 -4.247 25656 2348 1 7 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.712 -0.187 25656 2349 1 7 . 1 1 5 5 ASP C C 5 175.396 175.396 175.570 -0.174 25656 2350 1 7 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.504 0.929 25656 2351 1 7 . 1 1 5 5 ASP CB C 5 41.072 41.072 41.214 -0.142 25656 2352 1 7 . 1 1 5 5 ASP H H 5 8.082 8.082 8.562 -0.480 25656 2353 1 7 . 1 1 6 6 VAL N N 6 116.889 116.889 119.056 -2.167 25656 2354 1 7 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.121 0.263 25656 2355 1 7 . 1 1 6 6 VAL C C 6 175.536 175.536 175.878 -0.342 25656 2356 1 7 . 1 1 6 6 VAL CA C 6 61.196 61.196 61.467 -0.271 25656 2357 1 7 . 1 1 6 6 VAL CB C 6 34.079 34.079 32.765 1.314 25656 2358 1 7 . 1 1 6 6 VAL H H 6 7.692 7.692 7.409 0.283 25656 2359 1 7 . 1 1 7 7 ILE N N 7 123.931 123.931 121.610 2.321 25656 2360 1 7 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.594 -0.275 25656 2361 1 7 . 1 1 7 7 ILE C C 7 174.693 174.693 174.163 0.530 25656 2362 1 7 . 1 1 7 7 ILE CA C 7 59.971 59.971 61.039 -1.068 25656 2363 1 7 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.042 -0.292 25656 2364 1 7 . 1 1 7 7 ILE H H 7 8.638 8.638 8.392 0.246 25656 2365 1 7 . 1 1 8 8 GLN N N 8 123.223 123.223 125.535 -2.312 25656 2366 1 7 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.909 0.551 25656 2367 1 7 . 1 1 8 8 GLN C C 8 175.824 175.824 174.647 1.177 25656 2368 1 7 . 1 1 8 8 GLN CA C 8 54.115 54.115 54.834 -0.719 25656 2369 1 7 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.657 1.064 25656 2370 1 7 . 1 1 8 8 GLN H H 8 8.381 8.381 8.335 0.046 25656 2371 1 7 . 1 1 9 9 MET N N 9 121.931 121.931 124.235 -2.304 25656 2372 1 7 . 1 1 9 9 MET HA H 9 4.657 4.657 4.803 -0.146 25656 2373 1 7 . 1 1 9 9 MET C C 9 173.567 173.567 174.328 -0.761 25656 2374 1 7 . 1 1 9 9 MET CA C 9 54.778 54.778 54.431 0.347 25656 2375 1 7 . 1 1 9 9 MET CB C 9 38.194 38.194 36.538 1.656 25656 2376 1 7 . 1 1 9 9 MET H H 9 8.858 8.858 9.132 -0.274 25656 2377 1 7 . 1 1 10 10 GLN N N 10 119.772 119.772 121.877 -2.105 25656 2378 1 7 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.831 0.218 25656 2379 1 7 . 1 1 10 10 GLN C C 10 175.878 175.878 175.409 0.469 25656 2380 1 7 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.453 -0.833 25656 2381 1 7 . 1 1 10 10 GLN CB C 10 30.978 30.978 30.201 0.777 25656 2382 1 7 . 1 1 10 10 GLN H H 10 8.768 8.768 8.600 0.168 25656 2383 1 7 . 1 1 11 11 GLY N N 11 106.316 106.316 111.245 -4.929 25656 2384 1 7 . 1 1 11 11 GLY C C 11 170.761 170.761 171.988 -1.227 25656 2385 1 7 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.738 1.885 25656 2386 1 7 . 1 1 11 11 GLY H H 11 8.708 8.708 8.715 -0.007 25656 2387 1 7 . 1 1 12 12 GLU N N 12 120.360 120.360 120.202 0.158 25656 2388 1 7 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.349 -0.214 25656 2389 1 7 . 1 1 12 12 GLU C C 12 175.783 175.783 176.811 -1.028 25656 2390 1 7 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.539 0.042 25656 2391 1 7 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.349 0.409 25656 2392 1 7 . 1 1 12 12 GLU H H 12 8.438 8.438 8.582 -0.144 25656 2393 1 7 . 1 1 13 13 VAL N N 13 126.730 126.730 126.217 0.513 25656 2394 1 7 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.029 -0.205 25656 2395 1 7 . 1 1 13 13 VAL C C 13 176.691 176.691 175.795 0.896 25656 2396 1 7 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.816 -0.127 25656 2397 1 7 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.599 -0.073 25656 2398 1 7 . 1 1 13 13 VAL H H 13 8.957 8.957 8.827 0.130 25656 2399 1 7 . 1 1 14 14 ILE N N 14 124.542 124.542 127.541 -2.999 25656 2400 1 7 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.333 0.243 25656 2401 1 7 . 1 1 14 14 ILE C C 14 175.731 175.731 176.317 -0.586 25656 2402 1 7 . 1 1 14 14 ILE CA C 14 61.196 61.196 61.262 -0.066 25656 2403 1 7 . 1 1 14 14 ILE CB C 14 39.570 39.570 39.338 0.232 25656 2404 1 7 . 1 1 14 14 ILE H H 14 9.314 9.314 8.923 0.391 25656 2405 1 7 . 1 1 15 15 GLU N N 15 119.317 119.317 119.484 -0.167 25656 2406 1 7 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.659 -0.288 25656 2407 1 7 . 1 1 15 15 GLU C C 15 173.127 173.127 174.251 -1.124 25656 2408 1 7 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.751 0.864 25656 2409 1 7 . 1 1 15 15 GLU CB C 15 34.290 34.290 34.061 0.229 25656 2410 1 7 . 1 1 15 15 GLU H H 15 7.442 7.442 7.751 -0.309 25656 2411 1 7 . 1 1 16 16 ASN N N 16 127.204 127.204 119.512 7.692 25656 2412 1 7 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.798 -0.109 25656 2413 1 7 . 1 1 16 16 ASN C C 16 174.024 174.024 174.087 -0.063 25656 2414 1 7 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.273 0.767 25656 2415 1 7 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.538 -1.865 25656 2416 1 7 . 1 1 16 16 ASN H H 16 9.025 9.025 8.609 0.416 25656 2417 1 7 . 1 1 17 17 LEU N N 17 125.683 125.683 123.409 2.274 25656 2418 1 7 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.761 -0.114 25656 2419 1 7 . 1 1 17 17 LEU C C 17 174.040 174.040 175.528 -1.488 25656 2420 1 7 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.318 1.988 25656 2421 1 7 . 1 1 17 17 LEU CB C 17 37.687 37.687 42.516 -4.829 25656 2422 1 7 . 1 1 17 17 LEU H H 17 8.034 8.034 7.741 0.293 25656 2423 1 7 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.422 -0.134 25656 2424 1 7 . 1 1 18 18 PRO C C 18 176.016 176.016 176.420 -0.404 25656 2425 1 7 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.941 0.426 25656 2426 1 7 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.183 -0.092 25656 2427 1 7 . 1 1 19 19 ASN N N 19 116.522 116.522 115.393 1.129 25656 2428 1 7 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.349 -0.104 25656 2429 1 7 . 1 1 19 19 ASN C C 19 174.993 174.993 174.798 0.195 25656 2430 1 7 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.784 -0.213 25656 2431 1 7 . 1 1 19 19 ASN CB C 19 36.724 36.724 36.586 0.138 25656 2432 1 7 . 1 1 19 19 ASN H H 19 8.567 8.567 8.790 -0.223 25656 2433 1 7 . 1 1 20 20 ALA N N 20 118.637 118.637 116.076 2.561 25656 2434 1 7 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.939 -0.218 25656 2435 1 7 . 1 1 20 20 ALA C C 20 175.092 175.092 176.049 -0.957 25656 2436 1 7 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.220 -0.243 25656 2437 1 7 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.930 -0.826 25656 2438 1 7 . 1 1 20 20 ALA H H 20 8.525 8.525 8.309 0.216 25656 2439 1 7 . 1 1 21 21 THR N N 21 108.302 108.302 112.684 -4.382 25656 2440 1 7 . 1 1 21 21 THR HA H 21 4.885 4.885 5.507 -0.622 25656 2441 1 7 . 1 1 21 21 THR C C 21 172.847 172.847 173.811 -0.964 25656 2442 1 7 . 1 1 21 21 THR CA C 21 60.830 60.830 61.217 -0.386 25656 2443 1 7 . 1 1 21 21 THR CB C 21 71.112 71.112 71.055 0.057 25656 2444 1 7 . 1 1 21 21 THR H H 21 6.252 6.252 7.230 -0.978 25656 2445 1 7 . 1 1 23 23 ARG N N 23 123.805 123.805 121.679 2.126 25656 2446 1 7 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.357 -0.427 25656 2447 1 7 . 1 1 23 23 ARG C C 23 174.832 174.832 174.726 0.106 25656 2448 1 7 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.626 1.792 25656 2449 1 7 . 1 1 23 23 ARG CB C 23 31.445 31.445 31.792 -0.347 25656 2450 1 7 . 1 1 23 23 ARG H H 23 8.987 8.987 9.122 -0.135 25656 2451 1 7 . 1 1 24 24 VAL N N 24 127.572 127.572 124.501 3.071 25656 2452 1 7 . 1 1 24 24 VAL C C 24 173.297 173.297 174.775 -1.478 25656 2453 1 7 . 1 1 24 24 VAL CA C 24 60.839 60.839 61.308 -0.469 25656 2454 1 7 . 1 1 24 24 VAL CB C 24 34.641 34.641 33.953 0.688 25656 2455 1 7 . 1 1 24 24 VAL H H 24 9.349 9.349 8.751 0.598 25656 2456 1 7 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.190 0.014 25656 2457 1 7 . 1 1 26 26 LEU C C 26 174.549 174.549 178.049 -3.500 25656 2458 1 7 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.710 0.690 25656 2459 1 7 . 1 1 26 26 LEU CB C 26 36.020 36.020 41.802 -5.782 25656 2460 1 7 . 1 1 27 27 GLU N N 27 119.804 119.804 118.264 1.540 25656 2461 1 7 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.216 -0.138 25656 2462 1 7 . 1 1 27 27 GLU C C 27 176.188 176.188 177.975 -1.787 25656 2463 1 7 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.264 0.260 25656 2464 1 7 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.682 -0.074 25656 2465 1 7 . 1 1 27 27 GLU H H 27 8.393 8.393 8.526 -0.133 25656 2466 1 7 . 1 1 28 28 ASN N N 28 113.245 113.245 117.128 -3.883 25656 2467 1 7 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.513 0.048 25656 2468 1 7 . 1 1 28 28 ASN C C 28 176.329 176.329 175.393 0.936 25656 2469 1 7 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.593 -1.292 25656 2470 1 7 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.411 -0.944 25656 2471 1 7 . 1 1 28 28 ASN H H 28 7.100 7.100 8.094 -0.994 25656 2472 1 7 . 1 1 29 29 GLY N N 29 108.088 108.088 104.526 3.562 25656 2473 1 7 . 1 1 29 29 GLY C C 29 174.238 174.238 173.845 0.393 25656 2474 1 7 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.763 0.303 25656 2475 1 7 . 1 1 29 29 GLY H H 29 8.228 8.228 7.901 0.327 25656 2476 1 7 . 1 1 30 30 HIS N N 30 119.594 119.594 118.422 1.172 25656 2477 1 7 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.564 -0.022 25656 2478 1 7 . 1 1 30 30 HIS C C 30 173.598 173.598 174.749 -1.151 25656 2479 1 7 . 1 1 30 30 HIS CA C 30 55.603 55.603 55.409 0.194 25656 2480 1 7 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.576 -0.909 25656 2481 1 7 . 1 1 30 30 HIS H H 30 7.840 7.840 7.758 0.082 25656 2482 1 7 . 1 1 31 31 VAL N N 31 123.476 123.476 119.970 3.506 25656 2483 1 7 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.904 0.084 25656 2484 1 7 . 1 1 31 31 VAL C C 31 176.217 176.217 175.583 0.634 25656 2485 1 7 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.650 0.698 25656 2486 1 7 . 1 1 31 31 VAL CB C 31 32.608 32.608 32.644 -0.036 25656 2487 1 7 . 1 1 31 31 VAL H H 31 8.384 8.384 8.315 0.069 25656 2488 1 7 . 1 1 32 32 VAL N N 32 119.944 119.944 123.268 -3.324 25656 2489 1 7 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.629 0.062 25656 2490 1 7 . 1 1 32 32 VAL C C 32 173.802 173.802 174.327 -0.525 25656 2491 1 7 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.670 -2.343 25656 2492 1 7 . 1 1 32 32 VAL CB C 32 35.466 35.466 33.183 2.283 25656 2493 1 7 . 1 1 32 32 VAL H H 32 8.933 8.933 9.055 -0.122 25656 2494 1 7 . 1 1 33 33 LEU N N 33 122.390 122.390 123.604 -1.214 25656 2495 1 7 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.711 -0.646 25656 2496 1 7 . 1 1 33 33 LEU C C 33 173.779 173.779 176.440 -2.661 25656 2497 1 7 . 1 1 33 33 LEU CA C 33 58.417 58.417 52.988 5.429 25656 2498 1 7 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.290 -8.835 25656 2499 1 7 . 1 1 33 33 LEU H H 33 8.075 8.075 8.372 -0.297 25656 2500 1 7 . 1 1 34 34 GLY N N 34 111.534 111.534 108.486 3.048 25656 2501 1 7 . 1 1 34 34 GLY C C 34 171.754 171.754 171.916 -0.162 25656 2502 1 7 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.982 -2.230 25656 2503 1 7 . 1 1 34 34 GLY H H 34 9.710 9.710 8.406 1.304 25656 2504 1 7 . 1 1 35 35 HIS N N 35 117.412 117.412 117.124 0.288 25656 2505 1 7 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.434 -0.038 25656 2506 1 7 . 1 1 35 35 HIS C C 35 173.973 173.973 173.952 0.021 25656 2507 1 7 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.906 0.502 25656 2508 1 7 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.745 -0.310 25656 2509 1 7 . 1 1 35 35 HIS H H 35 8.002 8.002 8.308 -0.306 25656 2510 1 7 . 1 1 36 36 ILE N N 36 122.073 122.073 123.672 -1.599 25656 2511 1 7 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.624 -0.284 25656 2512 1 7 . 1 1 36 36 ILE C C 36 175.549 175.549 175.184 0.365 25656 2513 1 7 . 1 1 36 36 ILE CA C 36 61.351 61.351 59.264 2.087 25656 2514 1 7 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.230 -0.084 25656 2515 1 7 . 1 1 36 36 ILE H H 36 9.102 9.102 8.440 0.662 25656 2516 1 7 . 1 1 37 37 SER N N 37 121.153 121.153 124.950 -3.797 25656 2517 1 7 . 1 1 37 37 SER HA H 37 4.519 4.519 4.689 -0.170 25656 2518 1 7 . 1 1 37 37 SER C C 37 174.975 174.975 173.186 1.789 25656 2519 1 7 . 1 1 37 37 SER CA C 37 57.656 57.656 56.849 0.807 25656 2520 1 7 . 1 1 37 37 SER CB C 37 64.856 64.856 65.853 -0.997 25656 2521 1 7 . 1 1 37 37 SER H H 37 8.474 8.474 7.803 0.671 25656 2522 1 7 . 1 1 38 38 GLY N N 38 112.083 112.083 109.557 2.526 25656 2523 1 7 . 1 1 38 38 GLY C C 38 175.790 175.790 173.863 1.927 25656 2524 1 7 . 1 1 38 38 GLY CA C 38 46.419 46.419 44.874 1.545 25656 2525 1 7 . 1 1 38 38 GLY H H 38 8.921 8.921 7.986 0.935 25656 2526 1 7 . 1 1 39 39 LYS N N 39 121.180 121.180 119.858 1.322 25656 2527 1 7 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.406 -0.300 25656 2528 1 7 . 1 1 39 39 LYS C C 39 178.014 178.014 178.431 -0.417 25656 2529 1 7 . 1 1 39 39 LYS CA C 39 58.109 58.109 57.986 0.123 25656 2530 1 7 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.851 -0.496 25656 2531 1 7 . 1 1 39 39 LYS H H 39 8.361 8.361 8.672 -0.311 25656 2532 1 7 . 1 1 40 40 MET N N 40 118.268 118.268 116.359 1.909 25656 2533 1 7 . 1 1 40 40 MET HA H 40 4.320 4.320 4.025 0.295 25656 2534 1 7 . 1 1 40 40 MET C C 40 177.027 177.027 176.939 0.088 25656 2535 1 7 . 1 1 40 40 MET CA C 40 56.473 56.473 58.594 -2.122 25656 2536 1 7 . 1 1 40 40 MET CB C 40 32.505 32.505 32.026 0.479 25656 2537 1 7 . 1 1 40 40 MET H H 40 7.888 7.888 8.374 -0.486 25656 2538 1 7 . 1 1 41 41 ARG N N 41 119.656 119.656 117.897 1.759 25656 2539 1 7 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.255 -0.240 25656 2540 1 7 . 1 1 41 41 ARG C C 41 177.123 177.123 177.938 -0.815 25656 2541 1 7 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.084 -0.322 25656 2542 1 7 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.848 0.210 25656 2543 1 7 . 1 1 41 41 ARG H H 41 7.872 7.872 7.790 0.082 25656 2544 1 7 . 1 1 42 42 MET N N 42 117.106 117.106 118.068 -0.962 25656 2545 1 7 . 1 1 42 42 MET HA H 42 4.218 4.218 4.106 0.112 25656 2546 1 7 . 1 1 42 42 MET C C 42 176.078 176.078 177.652 -1.574 25656 2547 1 7 . 1 1 42 42 MET CA C 42 56.295 56.295 57.442 -1.147 25656 2548 1 7 . 1 1 42 42 MET CB C 42 32.024 32.024 32.794 -0.770 25656 2549 1 7 . 1 1 42 42 MET H H 42 7.839 7.839 8.047 -0.208 25656 2550 1 7 . 1 1 43 43 HIS N N 43 117.200 117.200 115.985 1.215 25656 2551 1 7 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.359 0.126 25656 2552 1 7 . 1 1 43 43 HIS C C 43 174.357 174.357 174.385 -0.028 25656 2553 1 7 . 1 1 43 43 HIS CA C 43 55.848 55.848 56.478 -0.630 25656 2554 1 7 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.840 0.165 25656 2555 1 7 . 1 1 43 43 HIS H H 43 7.720 7.720 7.597 0.123 25656 2556 1 7 . 1 1 44 44 TYR N N 44 119.368 119.368 114.608 4.760 25656 2557 1 7 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.284 0.058 25656 2558 1 7 . 1 1 44 44 TYR C C 44 175.078 175.078 176.250 -1.172 25656 2559 1 7 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.271 -0.036 25656 2560 1 7 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.047 2.849 25656 2561 1 7 . 1 1 44 44 TYR H H 44 7.817 7.817 7.082 0.735 25656 2562 1 7 . 1 1 45 45 ILE N N 45 122.575 122.575 116.498 6.077 25656 2563 1 7 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.333 -0.454 25656 2564 1 7 . 1 1 45 45 ILE C C 45 174.785 174.785 176.554 -1.769 25656 2565 1 7 . 1 1 45 45 ILE CA C 45 60.823 60.823 60.669 0.154 25656 2566 1 7 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.717 0.184 25656 2567 1 7 . 1 1 45 45 ILE H H 45 7.476 7.476 7.858 -0.382 25656 2568 1 7 . 1 1 46 46 ARG N N 46 125.127 125.127 121.644 3.483 25656 2569 1 7 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.704 -0.474 25656 2570 1 7 . 1 1 46 46 ARG C C 46 174.757 174.757 174.955 -0.198 25656 2571 1 7 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.344 0.451 25656 2572 1 7 . 1 1 46 46 ARG CB C 46 30.700 30.700 29.957 0.743 25656 2573 1 7 . 1 1 46 46 ARG H H 46 8.112 8.112 8.648 -0.536 25656 2574 1 7 . 1 1 47 47 ILE N N 47 125.531 125.531 122.541 2.990 25656 2575 1 7 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.036 0.068 25656 2576 1 7 . 1 1 47 47 ILE C C 47 174.500 174.500 176.050 -1.550 25656 2577 1 7 . 1 1 47 47 ILE CA C 47 60.580 60.580 62.280 -1.700 25656 2578 1 7 . 1 1 47 47 ILE CB C 47 38.399 38.399 38.585 -0.186 25656 2579 1 7 . 1 1 47 47 ILE H H 47 7.781 7.781 8.406 -0.625 25656 2580 1 7 . 1 1 48 48 LEU N N 48 129.762 129.762 126.155 3.607 25656 2581 1 7 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.827 0.083 25656 2582 1 7 . 1 1 48 48 LEU C C 48 174.536 174.536 174.384 0.152 25656 2583 1 7 . 1 1 48 48 LEU CA C 48 60.649 60.649 52.697 7.952 25656 2584 1 7 . 1 1 48 48 LEU CB C 48 38.412 38.412 45.165 -6.753 25656 2585 1 7 . 1 1 48 48 LEU H H 48 8.754 8.754 8.178 0.576 25656 2586 1 7 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.374 -0.527 25656 2587 1 7 . 1 1 49 49 PRO C C 49 177.177 177.177 177.258 -0.081 25656 2588 1 7 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.014 0.763 25656 2589 1 7 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.933 -0.827 25656 2590 1 7 . 1 1 50 50 GLY N N 50 115.039 115.039 112.348 2.691 25656 2591 1 7 . 1 1 50 50 GLY C C 50 174.684 174.684 173.321 1.363 25656 2592 1 7 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.742 -0.400 25656 2593 1 7 . 1 1 50 50 GLY H H 50 9.247 9.247 8.807 0.440 25656 2594 1 7 . 1 1 51 51 ASP N N 51 122.122 122.122 120.846 1.276 25656 2595 1 7 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.763 -0.271 25656 2596 1 7 . 1 1 51 51 ASP C C 51 175.571 175.571 174.855 0.716 25656 2597 1 7 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.233 2.071 25656 2598 1 7 . 1 1 51 51 ASP CB C 51 40.824 40.824 43.460 -2.636 25656 2599 1 7 . 1 1 51 51 ASP H H 51 8.157 8.157 7.723 0.434 25656 2600 1 7 . 1 1 52 52 LYS N N 52 121.252 121.252 125.607 -4.355 25656 2601 1 7 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.472 0.510 25656 2602 1 7 . 1 1 52 52 LYS C C 52 176.797 176.797 176.047 0.750 25656 2603 1 7 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.628 -1.883 25656 2604 1 7 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.785 -0.549 25656 2605 1 7 . 1 1 52 52 LYS H H 52 8.501 8.501 8.649 -0.148 25656 2606 1 7 . 1 1 53 53 VAL N N 53 114.328 114.328 122.226 -7.898 25656 2607 1 7 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.582 0.267 25656 2608 1 7 . 1 1 53 53 VAL C C 53 174.261 174.261 173.875 0.386 25656 2609 1 7 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.834 -1.665 25656 2610 1 7 . 1 1 53 53 VAL CB C 53 35.670 35.670 36.267 -0.597 25656 2611 1 7 . 1 1 53 53 VAL H H 53 8.552 8.552 9.038 -0.486 25656 2612 1 7 . 1 1 54 54 THR N N 54 117.790 117.790 117.573 0.217 25656 2613 1 7 . 1 1 54 54 THR HA H 54 4.642 4.642 5.084 -0.442 25656 2614 1 7 . 1 1 54 54 THR C C 54 173.653 173.653 174.025 -0.372 25656 2615 1 7 . 1 1 54 54 THR CA C 54 62.276 62.276 62.061 0.215 25656 2616 1 7 . 1 1 54 54 THR CB C 54 69.042 69.042 69.822 -0.780 25656 2617 1 7 . 1 1 54 54 THR H H 54 8.421 8.421 8.055 0.366 25656 2618 1 7 . 1 1 55 55 VAL N N 55 120.671 120.671 116.530 4.141 25656 2619 1 7 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.084 0.151 25656 2620 1 7 . 1 1 55 55 VAL C C 55 174.027 174.027 173.733 0.294 25656 2621 1 7 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.243 -1.351 25656 2622 1 7 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.820 -1.498 25656 2623 1 7 . 1 1 55 55 VAL H H 55 9.096 9.096 9.188 -0.092 25656 2624 1 7 . 1 1 56 56 GLU N N 56 121.070 121.070 121.791 -0.721 25656 2625 1 7 . 1 1 56 56 GLU HA H 56 5.185 5.185 4.985 0.200 25656 2626 1 7 . 1 1 56 56 GLU C C 56 175.974 175.974 174.356 1.618 25656 2627 1 7 . 1 1 56 56 GLU CA C 56 54.352 54.352 54.942 -0.590 25656 2628 1 7 . 1 1 56 56 GLU CB C 56 32.861 32.861 33.945 -1.084 25656 2629 1 7 . 1 1 56 56 GLU H H 56 9.094 9.094 8.518 0.576 25656 2630 1 7 . 1 1 57 57 LEU N N 57 124.646 124.646 126.210 -1.564 25656 2631 1 7 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.747 0.072 25656 2632 1 7 . 1 1 57 57 LEU C C 57 175.906 175.906 175.265 0.641 25656 2633 1 7 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.725 0.760 25656 2634 1 7 . 1 1 57 57 LEU CB C 57 43.356 43.356 45.695 -2.339 25656 2635 1 7 . 1 1 57 57 LEU H H 57 9.030 9.030 8.037 0.993 25656 2636 1 7 . 1 1 58 58 THR N N 58 115.858 115.858 115.544 0.314 25656 2637 1 7 . 1 1 58 58 THR HA H 58 4.841 4.841 5.011 -0.170 25656 2638 1 7 . 1 1 58 58 THR C C 58 174.000 174.000 174.251 -0.251 25656 2639 1 7 . 1 1 58 58 THR CA C 58 58.292 58.292 58.664 -0.372 25656 2640 1 7 . 1 1 58 58 THR CB C 58 68.768 68.768 69.045 -0.277 25656 2641 1 7 . 1 1 58 58 THR H H 58 8.743 8.743 8.506 0.237 25656 2642 1 7 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.366 -0.380 25656 2643 1 7 . 1 1 59 59 PRO C C 59 176.595 176.595 177.526 -0.931 25656 2644 1 7 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.235 -0.084 25656 2645 1 7 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.729 -0.019 25656 2646 1 7 . 1 1 60 60 TYR N N 60 113.107 113.107 118.976 -5.869 25656 2647 1 7 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.330 0.049 25656 2648 1 7 . 1 1 60 60 TYR C C 60 175.399 175.399 176.013 -0.614 25656 2649 1 7 . 1 1 60 60 TYR CA C 60 57.467 57.467 60.082 -2.615 25656 2650 1 7 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.787 -1.177 25656 2651 1 7 . 1 1 60 60 TYR H H 60 7.112 7.112 8.212 -1.100 25656 2652 1 7 . 1 1 61 61 ASP N N 61 118.812 118.812 116.438 2.374 25656 2653 1 7 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.956 -0.309 25656 2654 1 7 . 1 1 61 61 ASP C C 61 175.315 175.315 175.442 -0.127 25656 2655 1 7 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.920 -0.150 25656 2656 1 7 . 1 1 61 61 ASP CB C 61 40.718 40.718 43.758 -3.040 25656 2657 1 7 . 1 1 61 61 ASP H H 61 7.389 7.389 7.676 -0.287 25656 2658 1 7 . 1 1 62 62 LEU N N 62 123.980 123.980 118.916 5.064 25656 2659 1 7 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.807 -0.515 25656 2660 1 7 . 1 1 62 62 LEU C C 62 175.285 175.285 176.438 -1.153 25656 2661 1 7 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.790 -1.963 25656 2662 1 7 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.026 -1.283 25656 2663 1 7 . 1 1 62 62 LEU H H 62 8.546 8.546 8.296 0.250 25656 2664 1 7 . 1 1 63 63 SER N N 63 113.177 113.177 116.305 -3.128 25656 2665 1 7 . 1 1 63 63 SER HA H 63 4.506 4.506 4.629 -0.123 25656 2666 1 7 . 1 1 63 63 SER C C 63 174.295 174.295 172.988 1.307 25656 2667 1 7 . 1 1 63 63 SER CA C 63 59.561 59.561 57.592 1.969 25656 2668 1 7 . 1 1 63 63 SER CB C 63 64.377 64.377 63.475 0.902 25656 2669 1 7 . 1 1 63 63 SER H H 63 8.307 8.307 7.941 0.366 25656 2670 1 7 . 1 1 64 64 ARG N N 64 121.271 121.271 116.401 4.870 25656 2671 1 7 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.651 0.345 25656 2672 1 7 . 1 1 64 64 ARG C C 64 174.350 174.350 173.377 0.973 25656 2673 1 7 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.671 -0.715 25656 2674 1 7 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.958 0.814 25656 2675 1 7 . 1 1 64 64 ARG H H 64 7.477 7.477 7.312 0.165 25656 2676 1 7 . 1 1 65 65 ALA N N 65 121.899 121.899 124.108 -2.209 25656 2677 1 7 . 1 1 65 65 ALA HA H 65 4.821 4.821 4.913 -0.092 25656 2678 1 7 . 1 1 65 65 ALA C C 65 175.764 175.764 175.854 -0.090 25656 2679 1 7 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.566 0.548 25656 2680 1 7 . 1 1 65 65 ALA CB C 65 22.447 22.447 22.945 -0.498 25656 2681 1 7 . 1 1 65 65 ALA H H 65 8.371 8.371 8.559 -0.188 25656 2682 1 7 . 1 1 66 66 ARG N N 66 120.933 120.933 120.216 0.717 25656 2683 1 7 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.251 0.431 25656 2684 1 7 . 1 1 66 66 ARG C C 66 175.669 175.669 175.295 0.374 25656 2685 1 7 . 1 1 66 66 ARG CA C 66 54.202 54.202 55.389 -1.187 25656 2686 1 7 . 1 1 66 66 ARG CB C 66 32.697 32.697 30.295 2.402 25656 2687 1 7 . 1 1 66 66 ARG H H 66 8.531 8.531 8.623 -0.092 25656 2688 1 7 . 1 1 67 67 ILE N N 67 125.277 125.277 124.342 0.935 25656 2689 1 7 . 1 1 67 67 ILE HA H 67 4.532 4.532 3.993 0.539 25656 2690 1 7 . 1 1 67 67 ILE C C 67 174.856 174.856 175.605 -0.749 25656 2691 1 7 . 1 1 67 67 ILE CA C 67 60.726 60.726 60.553 0.173 25656 2692 1 7 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.781 -2.264 25656 2693 1 7 . 1 1 67 67 ILE H H 67 8.720 8.720 7.942 0.778 25656 2694 1 7 . 1 1 68 68 VAL N N 68 128.292 128.292 125.544 2.748 25656 2695 1 7 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.045 0.627 25656 2696 1 7 . 1 1 68 68 VAL C C 68 176.302 176.302 175.690 0.612 25656 2697 1 7 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.168 -5.141 25656 2698 1 7 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.038 -0.343 25656 2699 1 7 . 1 1 68 68 VAL H H 68 9.141 9.141 8.372 0.769 25656 2700 1 7 . 1 1 69 69 PHE N N 69 129.227 129.227 119.223 10.004 25656 2701 1 7 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.285 0.394 25656 2702 1 7 . 1 1 69 69 PHE C C 69 176.295 176.295 176.863 -0.568 25656 2703 1 7 . 1 1 69 69 PHE CA C 69 55.054 55.054 59.514 -4.460 25656 2704 1 7 . 1 1 69 69 PHE CB C 69 33.698 33.698 39.074 -5.375 25656 2705 1 7 . 1 1 69 69 PHE H H 69 9.256 9.256 8.123 1.133 25656 2706 1 7 . 1 1 70 70 ARG N N 70 121.729 121.729 120.248 1.481 25656 2707 1 7 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.124 -0.097 25656 2708 1 7 . 1 1 70 70 ARG C C 70 176.193 176.193 175.711 0.482 25656 2709 1 7 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.358 0.302 25656 2710 1 7 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.116 -0.106 25656 2711 1 7 . 1 1 70 70 ARG H H 70 8.277 8.277 8.789 -0.512 25656 2712 1 7 . 1 1 71 71 ALA N N 71 124.554 124.554 124.928 -0.374 25656 2713 1 7 . 1 1 71 71 ALA C C 71 177.627 177.627 177.071 0.556 25656 2714 1 7 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.804 0.675 25656 2715 1 7 . 1 1 71 71 ALA CB C 71 19.027 19.027 19.683 -0.656 25656 2716 1 7 . 1 1 71 71 ALA H H 71 8.166 8.166 7.879 0.287 25656 2717 1 8 . 1 1 2 2 ALA N N 2 125.535 125.535 125.686 -0.151 25656 2718 1 8 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.764 -0.521 25656 2719 1 8 . 1 1 2 2 ALA C C 2 177.715 177.715 176.365 1.350 25656 2720 1 8 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.833 0.611 25656 2721 1 8 . 1 1 2 2 ALA CB C 2 19.244 19.244 20.012 -0.768 25656 2722 1 8 . 1 1 2 2 ALA H H 2 8.245 8.245 8.227 0.018 25656 2723 1 8 . 1 1 3 3 LYS N N 3 120.509 120.509 122.018 -1.509 25656 2724 1 8 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.641 -0.433 25656 2725 1 8 . 1 1 3 3 LYS C C 3 176.294 176.294 174.579 1.715 25656 2726 1 8 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.922 0.524 25656 2727 1 8 . 1 1 3 3 LYS CB C 3 32.804 32.804 34.983 -2.179 25656 2728 1 8 . 1 1 3 3 LYS H H 3 8.233 8.233 8.604 -0.371 25656 2729 1 8 . 1 1 4 4 ASP N N 4 120.299 120.299 121.567 -1.268 25656 2730 1 8 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.753 -0.190 25656 2731 1 8 . 1 1 4 4 ASP C C 4 175.657 175.657 174.501 1.156 25656 2732 1 8 . 1 1 4 4 ASP CA C 4 54.278 54.278 53.792 0.486 25656 2733 1 8 . 1 1 4 4 ASP CB C 4 41.054 41.054 42.810 -1.756 25656 2734 1 8 . 1 1 4 4 ASP H H 4 8.185 8.185 8.580 -0.395 25656 2735 1 8 . 1 1 5 5 ASP N N 5 120.293 120.293 120.993 -0.700 25656 2736 1 8 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.886 -0.361 25656 2737 1 8 . 1 1 5 5 ASP C C 5 175.396 175.396 175.339 0.057 25656 2738 1 8 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.973 0.460 25656 2739 1 8 . 1 1 5 5 ASP CB C 5 41.072 41.072 40.587 0.485 25656 2740 1 8 . 1 1 5 5 ASP H H 5 8.082 8.082 8.633 -0.551 25656 2741 1 8 . 1 1 6 6 VAL N N 6 116.889 116.889 115.847 1.042 25656 2742 1 8 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.544 -0.160 25656 2743 1 8 . 1 1 6 6 VAL C C 6 175.536 175.536 174.592 0.944 25656 2744 1 8 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.481 0.715 25656 2745 1 8 . 1 1 6 6 VAL CB C 6 34.079 34.079 34.264 -0.185 25656 2746 1 8 . 1 1 6 6 VAL H H 6 7.692 7.692 7.747 -0.055 25656 2747 1 8 . 1 1 7 7 ILE N N 7 123.931 123.931 120.100 3.831 25656 2748 1 8 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.654 -0.335 25656 2749 1 8 . 1 1 7 7 ILE C C 7 174.693 174.693 174.563 0.130 25656 2750 1 8 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.587 -0.616 25656 2751 1 8 . 1 1 7 7 ILE CB C 7 40.750 40.750 40.628 0.122 25656 2752 1 8 . 1 1 7 7 ILE H H 7 8.638 8.638 8.373 0.265 25656 2753 1 8 . 1 1 8 8 GLN N N 8 123.223 123.223 125.433 -2.210 25656 2754 1 8 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.752 0.708 25656 2755 1 8 . 1 1 8 8 GLN C C 8 175.824 175.824 175.245 0.579 25656 2756 1 8 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.024 -0.909 25656 2757 1 8 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.665 1.056 25656 2758 1 8 . 1 1 8 8 GLN H H 8 8.381 8.381 8.346 0.035 25656 2759 1 8 . 1 1 9 9 MET N N 9 121.931 121.931 122.818 -0.887 25656 2760 1 8 . 1 1 9 9 MET HA H 9 4.657 4.657 4.786 -0.129 25656 2761 1 8 . 1 1 9 9 MET C C 9 173.567 173.567 175.220 -1.653 25656 2762 1 8 . 1 1 9 9 MET CA C 9 54.778 54.778 54.181 0.597 25656 2763 1 8 . 1 1 9 9 MET CB C 9 38.194 38.194 36.248 1.946 25656 2764 1 8 . 1 1 9 9 MET H H 9 8.858 8.858 9.186 -0.328 25656 2765 1 8 . 1 1 10 10 GLN N N 10 119.772 119.772 119.742 0.030 25656 2766 1 8 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.896 0.153 25656 2767 1 8 . 1 1 10 10 GLN C C 10 175.878 175.878 175.924 -0.046 25656 2768 1 8 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.113 -0.493 25656 2769 1 8 . 1 1 10 10 GLN CB C 10 30.978 30.978 29.454 1.524 25656 2770 1 8 . 1 1 10 10 GLN H H 10 8.768 8.768 8.588 0.180 25656 2771 1 8 . 1 1 11 11 GLY N N 11 106.316 106.316 111.358 -5.042 25656 2772 1 8 . 1 1 11 11 GLY C C 11 170.761 170.761 171.789 -1.028 25656 2773 1 8 . 1 1 11 11 GLY CA C 11 45.623 45.623 44.026 1.597 25656 2774 1 8 . 1 1 11 11 GLY H H 11 8.708 8.708 8.904 -0.196 25656 2775 1 8 . 1 1 12 12 GLU N N 12 120.360 120.360 120.334 0.026 25656 2776 1 8 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.347 -0.212 25656 2777 1 8 . 1 1 12 12 GLU C C 12 175.783 175.783 176.051 -0.268 25656 2778 1 8 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.766 -0.185 25656 2779 1 8 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.677 0.081 25656 2780 1 8 . 1 1 12 12 GLU H H 12 8.438 8.438 8.790 -0.352 25656 2781 1 8 . 1 1 13 13 VAL N N 13 126.730 126.730 125.402 1.328 25656 2782 1 8 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.082 -0.258 25656 2783 1 8 . 1 1 13 13 VAL C C 13 176.691 176.691 176.098 0.593 25656 2784 1 8 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.752 -0.063 25656 2785 1 8 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.718 -0.193 25656 2786 1 8 . 1 1 13 13 VAL H H 13 8.957 8.957 8.663 0.294 25656 2787 1 8 . 1 1 14 14 ILE N N 14 124.542 124.542 127.321 -2.779 25656 2788 1 8 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.433 0.143 25656 2789 1 8 . 1 1 14 14 ILE C C 14 175.731 175.731 175.306 0.425 25656 2790 1 8 . 1 1 14 14 ILE CA C 14 61.196 61.196 61.210 -0.014 25656 2791 1 8 . 1 1 14 14 ILE CB C 14 39.570 39.570 39.937 -0.367 25656 2792 1 8 . 1 1 14 14 ILE H H 14 9.314 9.314 8.941 0.373 25656 2793 1 8 . 1 1 15 15 GLU N N 15 119.317 119.317 120.177 -0.860 25656 2794 1 8 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.706 -0.335 25656 2795 1 8 . 1 1 15 15 GLU C C 15 173.127 173.127 174.245 -1.118 25656 2796 1 8 . 1 1 15 15 GLU CA C 15 56.615 56.615 54.796 1.819 25656 2797 1 8 . 1 1 15 15 GLU CB C 15 34.290 34.290 34.125 0.165 25656 2798 1 8 . 1 1 15 15 GLU H H 15 7.442 7.442 7.782 -0.340 25656 2799 1 8 . 1 1 16 16 ASN N N 16 127.204 127.204 120.406 6.798 25656 2800 1 8 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.939 -0.250 25656 2801 1 8 . 1 1 16 16 ASN C C 16 174.024 174.024 174.029 -0.005 25656 2802 1 8 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.399 0.641 25656 2803 1 8 . 1 1 16 16 ASN CB C 16 37.673 37.673 41.114 -3.441 25656 2804 1 8 . 1 1 16 16 ASN H H 16 9.025 9.025 8.712 0.313 25656 2805 1 8 . 1 1 17 17 LEU N N 17 125.683 125.683 119.962 5.721 25656 2806 1 8 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.725 -0.078 25656 2807 1 8 . 1 1 17 17 LEU C C 17 174.040 174.040 173.963 0.077 25656 2808 1 8 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.763 1.543 25656 2809 1 8 . 1 1 17 17 LEU CB C 17 37.687 37.687 45.776 -8.089 25656 2810 1 8 . 1 1 17 17 LEU H H 17 8.034 8.034 7.488 0.546 25656 2811 1 8 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.408 -0.120 25656 2812 1 8 . 1 1 18 18 PRO C C 18 176.016 176.016 175.755 0.261 25656 2813 1 8 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.761 0.606 25656 2814 1 8 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.072 0.019 25656 2815 1 8 . 1 1 19 19 ASN N N 19 116.522 116.522 113.207 3.315 25656 2816 1 8 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.448 -0.203 25656 2817 1 8 . 1 1 19 19 ASN C C 19 174.993 174.993 174.184 0.809 25656 2818 1 8 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.021 0.550 25656 2819 1 8 . 1 1 19 19 ASN CB C 19 36.724 36.724 37.443 -0.719 25656 2820 1 8 . 1 1 19 19 ASN H H 19 8.567 8.567 8.400 0.167 25656 2821 1 8 . 1 1 20 20 ALA N N 20 118.637 118.637 116.487 2.150 25656 2822 1 8 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.981 -0.260 25656 2823 1 8 . 1 1 20 20 ALA C C 20 175.092 175.092 176.227 -1.135 25656 2824 1 8 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.533 -0.556 25656 2825 1 8 . 1 1 20 20 ALA CB C 20 17.104 17.104 18.251 -1.147 25656 2826 1 8 . 1 1 20 20 ALA H H 20 8.525 8.525 8.113 0.412 25656 2827 1 8 . 1 1 21 21 THR N N 21 108.302 108.302 113.449 -5.147 25656 2828 1 8 . 1 1 21 21 THR HA H 21 4.885 4.885 5.377 -0.492 25656 2829 1 8 . 1 1 21 21 THR C C 21 172.847 172.847 172.934 -0.087 25656 2830 1 8 . 1 1 21 21 THR CA C 21 60.830 60.830 61.898 -1.068 25656 2831 1 8 . 1 1 21 21 THR CB C 21 71.112 71.112 72.086 -0.974 25656 2832 1 8 . 1 1 21 21 THR H H 21 6.252 6.252 7.308 -1.056 25656 2833 1 8 . 1 1 23 23 ARG N N 23 123.805 123.805 120.915 2.890 25656 2834 1 8 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.614 -0.684 25656 2835 1 8 . 1 1 23 23 ARG C C 23 174.832 174.832 174.695 0.137 25656 2836 1 8 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.716 1.702 25656 2837 1 8 . 1 1 23 23 ARG CB C 23 31.445 31.445 34.107 -2.662 25656 2838 1 8 . 1 1 23 23 ARG H H 23 8.987 8.987 8.767 0.220 25656 2839 1 8 . 1 1 24 24 VAL N N 24 127.572 127.572 117.644 9.928 25656 2840 1 8 . 1 1 24 24 VAL C C 24 173.297 173.297 173.463 -0.166 25656 2841 1 8 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.876 0.963 25656 2842 1 8 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.661 -1.020 25656 2843 1 8 . 1 1 24 24 VAL H H 24 9.349 9.349 8.895 0.454 25656 2844 1 8 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.332 -0.128 25656 2845 1 8 . 1 1 26 26 LEU C C 26 174.549 174.549 178.152 -3.603 25656 2846 1 8 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.356 1.044 25656 2847 1 8 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.415 -6.395 25656 2848 1 8 . 1 1 27 27 GLU N N 27 119.804 119.804 118.652 1.152 25656 2849 1 8 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.133 -0.055 25656 2850 1 8 . 1 1 27 27 GLU C C 27 176.188 176.188 177.359 -1.171 25656 2851 1 8 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.290 0.234 25656 2852 1 8 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.374 0.234 25656 2853 1 8 . 1 1 27 27 GLU H H 27 8.393 8.393 8.685 -0.292 25656 2854 1 8 . 1 1 28 28 ASN N N 28 113.245 113.245 118.047 -4.802 25656 2855 1 8 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.509 0.052 25656 2856 1 8 . 1 1 28 28 ASN C C 28 176.329 176.329 175.490 0.839 25656 2857 1 8 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.575 -1.274 25656 2858 1 8 . 1 1 28 28 ASN CB C 28 37.467 37.467 37.864 -0.397 25656 2859 1 8 . 1 1 28 28 ASN H H 28 7.100 7.100 8.145 -1.045 25656 2860 1 8 . 1 1 29 29 GLY N N 29 108.088 108.088 105.466 2.622 25656 2861 1 8 . 1 1 29 29 GLY C C 29 174.238 174.238 173.391 0.847 25656 2862 1 8 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.949 0.117 25656 2863 1 8 . 1 1 29 29 GLY H H 29 8.228 8.228 8.008 0.220 25656 2864 1 8 . 1 1 30 30 HIS N N 30 119.594 119.594 117.770 1.824 25656 2865 1 8 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.839 -0.297 25656 2866 1 8 . 1 1 30 30 HIS C C 30 173.598 173.598 174.109 -0.511 25656 2867 1 8 . 1 1 30 30 HIS CA C 30 55.603 55.603 54.181 1.422 25656 2868 1 8 . 1 1 30 30 HIS CB C 30 29.666 29.666 31.715 -2.050 25656 2869 1 8 . 1 1 30 30 HIS H H 30 7.840 7.840 7.652 0.188 25656 2870 1 8 . 1 1 31 31 VAL N N 31 123.476 123.476 120.924 2.552 25656 2871 1 8 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.680 0.308 25656 2872 1 8 . 1 1 31 31 VAL C C 31 176.217 176.217 175.262 0.955 25656 2873 1 8 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.081 1.267 25656 2874 1 8 . 1 1 31 31 VAL CB C 31 32.608 32.608 32.000 0.608 25656 2875 1 8 . 1 1 31 31 VAL H H 31 8.384 8.384 8.621 -0.237 25656 2876 1 8 . 1 1 32 32 VAL N N 32 119.944 119.944 121.023 -1.079 25656 2877 1 8 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.559 0.132 25656 2878 1 8 . 1 1 32 32 VAL C C 32 173.802 173.802 174.897 -1.095 25656 2879 1 8 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.221 -1.894 25656 2880 1 8 . 1 1 32 32 VAL CB C 32 35.466 35.466 33.280 2.186 25656 2881 1 8 . 1 1 32 32 VAL H H 32 8.933 8.933 8.887 0.046 25656 2882 1 8 . 1 1 33 33 LEU N N 33 122.390 122.390 121.809 0.581 25656 2883 1 8 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.486 -0.421 25656 2884 1 8 . 1 1 33 33 LEU C C 33 173.779 173.779 176.555 -2.776 25656 2885 1 8 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.205 5.212 25656 2886 1 8 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.654 -9.200 25656 2887 1 8 . 1 1 33 33 LEU H H 33 8.075 8.075 8.257 -0.182 25656 2888 1 8 . 1 1 34 34 GLY N N 34 111.534 111.534 108.421 3.113 25656 2889 1 8 . 1 1 34 34 GLY C C 34 171.754 171.754 171.597 0.157 25656 2890 1 8 . 1 1 34 34 GLY CA C 34 43.752 43.752 46.023 -2.271 25656 2891 1 8 . 1 1 34 34 GLY H H 34 9.710 9.710 8.270 1.440 25656 2892 1 8 . 1 1 35 35 HIS N N 35 117.412 117.412 116.162 1.250 25656 2893 1 8 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.163 0.233 25656 2894 1 8 . 1 1 35 35 HIS C C 35 173.973 173.973 174.305 -0.332 25656 2895 1 8 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.724 0.684 25656 2896 1 8 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.523 -0.088 25656 2897 1 8 . 1 1 35 35 HIS H H 35 8.002 8.002 8.102 -0.100 25656 2898 1 8 . 1 1 36 36 ILE N N 36 122.073 122.073 123.586 -1.513 25656 2899 1 8 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.486 -0.146 25656 2900 1 8 . 1 1 36 36 ILE C C 36 175.549 175.549 175.085 0.464 25656 2901 1 8 . 1 1 36 36 ILE CA C 36 61.351 61.351 60.692 0.659 25656 2902 1 8 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.250 -0.105 25656 2903 1 8 . 1 1 36 36 ILE H H 36 9.102 9.102 8.870 0.232 25656 2904 1 8 . 1 1 37 37 SER N N 37 121.153 121.153 120.358 0.795 25656 2905 1 8 . 1 1 37 37 SER HA H 37 4.519 4.519 4.801 -0.281 25656 2906 1 8 . 1 1 37 37 SER C C 37 174.975 174.975 172.821 2.154 25656 2907 1 8 . 1 1 37 37 SER CA C 37 57.656 57.656 57.272 0.384 25656 2908 1 8 . 1 1 37 37 SER CB C 37 64.856 64.856 64.813 0.043 25656 2909 1 8 . 1 1 37 37 SER H H 37 8.474 8.474 8.211 0.263 25656 2910 1 8 . 1 1 38 38 GLY N N 38 112.083 112.083 110.714 1.369 25656 2911 1 8 . 1 1 38 38 GLY C C 38 175.790 175.790 172.516 3.274 25656 2912 1 8 . 1 1 38 38 GLY CA C 38 46.419 46.419 45.047 1.372 25656 2913 1 8 . 1 1 38 38 GLY H H 38 8.921 8.921 8.043 0.878 25656 2914 1 8 . 1 1 39 39 LYS N N 39 121.180 121.180 117.643 3.537 25656 2915 1 8 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.241 -0.135 25656 2916 1 8 . 1 1 39 39 LYS C C 39 178.014 178.014 178.600 -0.586 25656 2917 1 8 . 1 1 39 39 LYS CA C 39 58.109 58.109 58.236 -0.127 25656 2918 1 8 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.766 -0.411 25656 2919 1 8 . 1 1 39 39 LYS H H 39 8.361 8.361 8.527 -0.166 25656 2920 1 8 . 1 1 40 40 MET N N 40 118.268 118.268 118.390 -0.122 25656 2921 1 8 . 1 1 40 40 MET HA H 40 4.320 4.320 4.201 0.119 25656 2922 1 8 . 1 1 40 40 MET C C 40 177.027 177.027 177.554 -0.527 25656 2923 1 8 . 1 1 40 40 MET CA C 40 56.473 56.473 58.057 -1.584 25656 2924 1 8 . 1 1 40 40 MET CB C 40 32.505 32.505 32.068 0.437 25656 2925 1 8 . 1 1 40 40 MET H H 40 7.888 7.888 8.562 -0.674 25656 2926 1 8 . 1 1 41 41 ARG N N 41 119.656 119.656 116.371 3.285 25656 2927 1 8 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.260 -0.245 25656 2928 1 8 . 1 1 41 41 ARG C C 41 177.123 177.123 177.543 -0.420 25656 2929 1 8 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.263 -0.501 25656 2930 1 8 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.849 0.209 25656 2931 1 8 . 1 1 41 41 ARG H H 41 7.872 7.872 8.020 -0.148 25656 2932 1 8 . 1 1 42 42 MET N N 42 117.106 117.106 117.747 -0.641 25656 2933 1 8 . 1 1 42 42 MET HA H 42 4.218 4.218 3.982 0.236 25656 2934 1 8 . 1 1 42 42 MET C C 42 176.078 176.078 176.975 -0.897 25656 2935 1 8 . 1 1 42 42 MET CA C 42 56.295 56.295 57.865 -1.570 25656 2936 1 8 . 1 1 42 42 MET CB C 42 32.024 32.024 32.851 -0.827 25656 2937 1 8 . 1 1 42 42 MET H H 42 7.839 7.839 7.790 0.049 25656 2938 1 8 . 1 1 43 43 HIS N N 43 117.200 117.200 114.997 2.203 25656 2939 1 8 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.252 0.233 25656 2940 1 8 . 1 1 43 43 HIS C C 43 174.357 174.357 175.001 -0.644 25656 2941 1 8 . 1 1 43 43 HIS CA C 43 55.848 55.848 56.557 -0.709 25656 2942 1 8 . 1 1 43 43 HIS CB C 43 30.005 30.005 30.129 -0.124 25656 2943 1 8 . 1 1 43 43 HIS H H 43 7.720 7.720 7.419 0.301 25656 2944 1 8 . 1 1 44 44 TYR N N 44 119.368 119.368 114.226 5.142 25656 2945 1 8 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.269 0.073 25656 2946 1 8 . 1 1 44 44 TYR C C 44 175.078 175.078 175.665 -0.587 25656 2947 1 8 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.147 0.088 25656 2948 1 8 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.118 2.778 25656 2949 1 8 . 1 1 44 44 TYR H H 44 7.817 7.817 7.348 0.469 25656 2950 1 8 . 1 1 45 45 ILE N N 45 122.575 122.575 116.418 6.157 25656 2951 1 8 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.450 -0.571 25656 2952 1 8 . 1 1 45 45 ILE C C 45 174.785 174.785 176.322 -1.537 25656 2953 1 8 . 1 1 45 45 ILE CA C 45 60.823 60.823 60.290 0.533 25656 2954 1 8 . 1 1 45 45 ILE CB C 45 38.901 38.901 39.187 -0.286 25656 2955 1 8 . 1 1 45 45 ILE H H 45 7.476 7.476 7.816 -0.340 25656 2956 1 8 . 1 1 46 46 ARG N N 46 125.127 125.127 122.712 2.415 25656 2957 1 8 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.367 -0.137 25656 2958 1 8 . 1 1 46 46 ARG C C 46 174.757 174.757 175.323 -0.566 25656 2959 1 8 . 1 1 46 46 ARG CA C 46 55.795 55.795 56.184 -0.389 25656 2960 1 8 . 1 1 46 46 ARG CB C 46 30.700 30.700 29.625 1.075 25656 2961 1 8 . 1 1 46 46 ARG H H 46 8.112 8.112 8.392 -0.280 25656 2962 1 8 . 1 1 47 47 ILE N N 47 125.531 125.531 124.857 0.674 25656 2963 1 8 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.327 -0.223 25656 2964 1 8 . 1 1 47 47 ILE C C 47 174.500 174.500 174.836 -0.336 25656 2965 1 8 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.603 -0.023 25656 2966 1 8 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.960 -1.561 25656 2967 1 8 . 1 1 47 47 ILE H H 47 7.781 7.781 8.540 -0.759 25656 2968 1 8 . 1 1 48 48 LEU N N 48 129.762 129.762 123.458 6.304 25656 2969 1 8 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.863 0.047 25656 2970 1 8 . 1 1 48 48 LEU C C 48 174.536 174.536 173.906 0.630 25656 2971 1 8 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.974 8.675 25656 2972 1 8 . 1 1 48 48 LEU CB C 48 38.412 38.412 42.588 -4.176 25656 2973 1 8 . 1 1 48 48 LEU H H 48 8.754 8.754 8.084 0.670 25656 2974 1 8 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.423 -0.576 25656 2975 1 8 . 1 1 49 49 PRO C C 49 177.177 177.177 177.061 0.116 25656 2976 1 8 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.506 0.270 25656 2977 1 8 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.692 -0.585 25656 2978 1 8 . 1 1 50 50 GLY N N 50 115.039 115.039 113.024 2.015 25656 2979 1 8 . 1 1 50 50 GLY C C 50 174.684 174.684 173.411 1.273 25656 2980 1 8 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.676 -0.334 25656 2981 1 8 . 1 1 50 50 GLY H H 50 9.247 9.247 8.435 0.812 25656 2982 1 8 . 1 1 51 51 ASP N N 51 122.122 122.122 121.251 0.871 25656 2983 1 8 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.752 -0.260 25656 2984 1 8 . 1 1 51 51 ASP C C 51 175.571 175.571 175.226 0.345 25656 2985 1 8 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.256 2.048 25656 2986 1 8 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.838 -2.014 25656 2987 1 8 . 1 1 51 51 ASP H H 51 8.157 8.157 7.741 0.416 25656 2988 1 8 . 1 1 52 52 LYS N N 52 121.252 121.252 123.321 -2.069 25656 2989 1 8 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.783 0.199 25656 2990 1 8 . 1 1 52 52 LYS C C 52 176.797 176.797 176.425 0.372 25656 2991 1 8 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.878 -2.133 25656 2992 1 8 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.717 -0.481 25656 2993 1 8 . 1 1 52 52 LYS H H 52 8.501 8.501 8.662 -0.162 25656 2994 1 8 . 1 1 53 53 VAL N N 53 114.328 114.328 120.659 -6.331 25656 2995 1 8 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.610 0.239 25656 2996 1 8 . 1 1 53 53 VAL C C 53 174.261 174.261 174.100 0.161 25656 2997 1 8 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.779 -1.610 25656 2998 1 8 . 1 1 53 53 VAL CB C 53 35.670 35.670 36.014 -0.344 25656 2999 1 8 . 1 1 53 53 VAL H H 53 8.552 8.552 9.182 -0.630 25656 3000 1 8 . 1 1 54 54 THR N N 54 117.790 117.790 117.201 0.589 25656 3001 1 8 . 1 1 54 54 THR HA H 54 4.642 4.642 5.257 -0.615 25656 3002 1 8 . 1 1 54 54 THR C C 54 173.653 173.653 174.186 -0.533 25656 3003 1 8 . 1 1 54 54 THR CA C 54 62.276 62.276 61.595 0.681 25656 3004 1 8 . 1 1 54 54 THR CB C 54 69.042 69.042 69.565 -0.523 25656 3005 1 8 . 1 1 54 54 THR H H 54 8.421 8.421 8.138 0.283 25656 3006 1 8 . 1 1 55 55 VAL N N 55 120.671 120.671 116.092 4.579 25656 3007 1 8 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.008 0.227 25656 3008 1 8 . 1 1 55 55 VAL C C 55 174.027 174.027 173.793 0.234 25656 3009 1 8 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.569 -1.677 25656 3010 1 8 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.255 -0.933 25656 3011 1 8 . 1 1 55 55 VAL H H 55 9.096 9.096 8.843 0.253 25656 3012 1 8 . 1 1 56 56 GLU N N 56 121.070 121.070 125.808 -4.738 25656 3013 1 8 . 1 1 56 56 GLU HA H 56 5.185 5.185 4.978 0.207 25656 3014 1 8 . 1 1 56 56 GLU C C 56 175.974 175.974 174.905 1.069 25656 3015 1 8 . 1 1 56 56 GLU CA C 56 54.352 54.352 54.782 -0.430 25656 3016 1 8 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.544 0.317 25656 3017 1 8 . 1 1 56 56 GLU H H 56 9.094 9.094 8.487 0.607 25656 3018 1 8 . 1 1 57 57 LEU N N 57 124.646 124.646 126.582 -1.936 25656 3019 1 8 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.696 0.123 25656 3020 1 8 . 1 1 57 57 LEU C C 57 175.906 175.906 176.155 -0.249 25656 3021 1 8 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.862 0.623 25656 3022 1 8 . 1 1 57 57 LEU CB C 57 43.356 43.356 44.871 -1.515 25656 3023 1 8 . 1 1 57 57 LEU H H 57 9.030 9.030 7.888 1.142 25656 3024 1 8 . 1 1 58 58 THR N N 58 115.858 115.858 115.045 0.813 25656 3025 1 8 . 1 1 58 58 THR HA H 58 4.841 4.841 4.998 -0.157 25656 3026 1 8 . 1 1 58 58 THR C C 58 174.000 174.000 174.782 -0.782 25656 3027 1 8 . 1 1 58 58 THR CA C 58 58.292 58.292 59.236 -0.944 25656 3028 1 8 . 1 1 58 58 THR CB C 58 68.768 68.768 69.176 -0.408 25656 3029 1 8 . 1 1 58 58 THR H H 58 8.743 8.743 8.505 0.237 25656 3030 1 8 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.312 -0.326 25656 3031 1 8 . 1 1 59 59 PRO C C 59 176.595 176.595 177.613 -1.018 25656 3032 1 8 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.459 -0.308 25656 3033 1 8 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.733 -0.023 25656 3034 1 8 . 1 1 60 60 TYR N N 60 113.107 113.107 118.718 -5.611 25656 3035 1 8 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.293 0.086 25656 3036 1 8 . 1 1 60 60 TYR C C 60 175.399 175.399 176.126 -0.727 25656 3037 1 8 . 1 1 60 60 TYR CA C 60 57.467 57.467 60.201 -2.734 25656 3038 1 8 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.566 -0.956 25656 3039 1 8 . 1 1 60 60 TYR H H 60 7.112 7.112 8.401 -1.289 25656 3040 1 8 . 1 1 61 61 ASP N N 61 118.812 118.812 114.555 4.257 25656 3041 1 8 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.876 -0.229 25656 3042 1 8 . 1 1 61 61 ASP C C 61 175.315 175.315 174.492 0.823 25656 3043 1 8 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.622 0.148 25656 3044 1 8 . 1 1 61 61 ASP CB C 61 40.718 40.718 43.707 -2.989 25656 3045 1 8 . 1 1 61 61 ASP H H 61 7.389 7.389 7.621 -0.232 25656 3046 1 8 . 1 1 62 62 LEU N N 62 123.980 123.980 122.169 1.811 25656 3047 1 8 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.535 -0.243 25656 3048 1 8 . 1 1 62 62 LEU C C 62 175.285 175.285 176.450 -1.165 25656 3049 1 8 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.444 -1.617 25656 3050 1 8 . 1 1 62 62 LEU CB C 62 40.743 40.743 43.080 -2.337 25656 3051 1 8 . 1 1 62 62 LEU H H 62 8.546 8.546 8.347 0.199 25656 3052 1 8 . 1 1 63 63 SER N N 63 113.177 113.177 114.761 -1.584 25656 3053 1 8 . 1 1 63 63 SER HA H 63 4.506 4.506 4.538 -0.032 25656 3054 1 8 . 1 1 63 63 SER C C 63 174.295 174.295 173.408 0.887 25656 3055 1 8 . 1 1 63 63 SER CA C 63 59.561 59.561 57.974 1.587 25656 3056 1 8 . 1 1 63 63 SER CB C 63 64.377 64.377 62.710 1.667 25656 3057 1 8 . 1 1 63 63 SER H H 63 8.307 8.307 8.070 0.237 25656 3058 1 8 . 1 1 64 64 ARG N N 64 121.271 121.271 116.129 5.142 25656 3059 1 8 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.777 0.219 25656 3060 1 8 . 1 1 64 64 ARG C C 64 174.350 174.350 173.514 0.836 25656 3061 1 8 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.545 -0.589 25656 3062 1 8 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.403 1.369 25656 3063 1 8 . 1 1 64 64 ARG H H 64 7.477 7.477 7.395 0.082 25656 3064 1 8 . 1 1 65 65 ALA N N 65 121.899 121.899 125.716 -3.817 25656 3065 1 8 . 1 1 65 65 ALA HA H 65 4.821 4.821 4.969 -0.148 25656 3066 1 8 . 1 1 65 65 ALA C C 65 175.764 175.764 175.625 0.139 25656 3067 1 8 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.472 0.642 25656 3068 1 8 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.125 -0.678 25656 3069 1 8 . 1 1 65 65 ALA H H 65 8.371 8.371 8.460 -0.089 25656 3070 1 8 . 1 1 66 66 ARG N N 66 120.933 120.933 120.132 0.801 25656 3071 1 8 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.244 0.438 25656 3072 1 8 . 1 1 66 66 ARG C C 66 175.669 175.669 175.117 0.552 25656 3073 1 8 . 1 1 66 66 ARG CA C 66 54.202 54.202 55.262 -1.060 25656 3074 1 8 . 1 1 66 66 ARG CB C 66 32.697 32.697 30.361 2.336 25656 3075 1 8 . 1 1 66 66 ARG H H 66 8.531 8.531 8.367 0.164 25656 3076 1 8 . 1 1 67 67 ILE N N 67 125.277 125.277 124.377 0.900 25656 3077 1 8 . 1 1 67 67 ILE HA H 67 4.532 4.532 3.989 0.543 25656 3078 1 8 . 1 1 67 67 ILE C C 67 174.856 174.856 175.224 -0.368 25656 3079 1 8 . 1 1 67 67 ILE CA C 67 60.726 60.726 61.996 -1.270 25656 3080 1 8 . 1 1 67 67 ILE CB C 67 34.516 34.516 38.170 -3.654 25656 3081 1 8 . 1 1 67 67 ILE H H 67 8.720 8.720 7.827 0.893 25656 3082 1 8 . 1 1 68 68 VAL N N 68 128.292 128.292 123.406 4.886 25656 3083 1 8 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.206 0.466 25656 3084 1 8 . 1 1 68 68 VAL C C 68 176.302 176.302 175.552 0.750 25656 3085 1 8 . 1 1 68 68 VAL CA C 68 55.027 55.027 59.700 -4.673 25656 3086 1 8 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.423 -0.728 25656 3087 1 8 . 1 1 68 68 VAL H H 68 9.141 9.141 8.280 0.861 25656 3088 1 8 . 1 1 69 69 PHE N N 69 129.227 129.227 118.684 10.543 25656 3089 1 8 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.363 0.316 25656 3090 1 8 . 1 1 69 69 PHE C C 69 176.295 176.295 175.468 0.827 25656 3091 1 8 . 1 1 69 69 PHE CA C 69 55.054 55.054 57.392 -2.338 25656 3092 1 8 . 1 1 69 69 PHE CB C 69 33.698 33.698 38.618 -4.920 25656 3093 1 8 . 1 1 69 69 PHE H H 69 9.256 9.256 8.015 1.241 25656 3094 1 8 . 1 1 70 70 ARG N N 70 121.729 121.729 118.584 3.145 25656 3095 1 8 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.219 -0.192 25656 3096 1 8 . 1 1 70 70 ARG C C 70 176.193 176.193 176.071 0.122 25656 3097 1 8 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.411 0.249 25656 3098 1 8 . 1 1 70 70 ARG CB C 70 30.010 30.010 29.826 0.184 25656 3099 1 8 . 1 1 70 70 ARG H H 70 8.277 8.277 8.459 -0.182 25656 3100 1 8 . 1 1 71 71 ALA N N 71 124.554 124.554 124.598 -0.044 25656 3101 1 8 . 1 1 71 71 ALA C C 71 177.627 177.627 176.958 0.669 25656 3102 1 8 . 1 1 71 71 ALA CA C 71 52.479 52.479 52.197 0.282 25656 3103 1 8 . 1 1 71 71 ALA CB C 71 19.027 19.027 19.981 -0.954 25656 3104 1 8 . 1 1 71 71 ALA H H 71 8.166 8.166 7.998 0.168 25656 3105 1 9 . 1 1 2 2 ALA N N 2 125.535 125.535 125.447 0.088 25656 3106 1 9 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.785 -0.542 25656 3107 1 9 . 1 1 2 2 ALA C C 2 177.715 177.715 176.709 1.006 25656 3108 1 9 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.784 0.659 25656 3109 1 9 . 1 1 2 2 ALA CB C 2 19.244 19.244 20.282 -1.038 25656 3110 1 9 . 1 1 2 2 ALA H H 2 8.245 8.245 8.125 0.120 25656 3111 1 9 . 1 1 3 3 LYS N N 3 120.509 120.509 120.490 0.019 25656 3112 1 9 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.540 -0.332 25656 3113 1 9 . 1 1 3 3 LYS C C 3 176.294 176.294 174.898 1.396 25656 3114 1 9 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.384 1.062 25656 3115 1 9 . 1 1 3 3 LYS CB C 3 32.804 32.804 34.089 -1.285 25656 3116 1 9 . 1 1 3 3 LYS H H 3 8.233 8.233 8.418 -0.185 25656 3117 1 9 . 1 1 4 4 ASP N N 4 120.299 120.299 122.036 -1.737 25656 3118 1 9 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.817 -0.254 25656 3119 1 9 . 1 1 4 4 ASP C C 4 175.657 175.657 175.151 0.506 25656 3120 1 9 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.139 0.139 25656 3121 1 9 . 1 1 4 4 ASP CB C 4 41.054 41.054 41.453 -0.399 25656 3122 1 9 . 1 1 4 4 ASP H H 4 8.185 8.185 8.492 -0.307 25656 3123 1 9 . 1 1 5 5 ASP N N 5 120.293 120.293 124.160 -3.867 25656 3124 1 9 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.928 -0.403 25656 3125 1 9 . 1 1 5 5 ASP C C 5 175.396 175.396 174.729 0.667 25656 3126 1 9 . 1 1 5 5 ASP CA C 5 54.433 54.433 54.057 0.376 25656 3127 1 9 . 1 1 5 5 ASP CB C 5 41.072 41.072 41.346 -0.275 25656 3128 1 9 . 1 1 5 5 ASP H H 5 8.082 8.082 8.785 -0.703 25656 3129 1 9 . 1 1 6 6 VAL N N 6 116.889 116.889 116.633 0.256 25656 3130 1 9 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.491 -0.107 25656 3131 1 9 . 1 1 6 6 VAL C C 6 175.536 175.536 174.471 1.065 25656 3132 1 9 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.464 0.732 25656 3133 1 9 . 1 1 6 6 VAL CB C 6 34.079 34.079 34.806 -0.727 25656 3134 1 9 . 1 1 6 6 VAL H H 6 7.692 7.692 7.796 -0.104 25656 3135 1 9 . 1 1 7 7 ILE N N 7 123.931 123.931 120.184 3.747 25656 3136 1 9 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.614 -0.295 25656 3137 1 9 . 1 1 7 7 ILE C C 7 174.693 174.693 174.258 0.435 25656 3138 1 9 . 1 1 7 7 ILE CA C 7 59.971 59.971 61.049 -1.078 25656 3139 1 9 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.643 -0.893 25656 3140 1 9 . 1 1 7 7 ILE H H 7 8.638 8.638 9.053 -0.415 25656 3141 1 9 . 1 1 8 8 GLN N N 8 123.223 123.223 125.295 -2.072 25656 3142 1 9 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.611 0.849 25656 3143 1 9 . 1 1 8 8 GLN C C 8 175.824 175.824 174.810 1.014 25656 3144 1 9 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.159 -1.044 25656 3145 1 9 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.444 1.278 25656 3146 1 9 . 1 1 8 8 GLN H H 8 8.381 8.381 8.302 0.079 25656 3147 1 9 . 1 1 9 9 MET N N 9 121.931 121.931 123.689 -1.758 25656 3148 1 9 . 1 1 9 9 MET HA H 9 4.657 4.657 4.782 -0.125 25656 3149 1 9 . 1 1 9 9 MET C C 9 173.567 173.567 174.758 -1.191 25656 3150 1 9 . 1 1 9 9 MET CA C 9 54.778 54.778 54.859 -0.081 25656 3151 1 9 . 1 1 9 9 MET CB C 9 38.194 38.194 37.030 1.164 25656 3152 1 9 . 1 1 9 9 MET H H 9 8.858 8.858 9.032 -0.174 25656 3153 1 9 . 1 1 10 10 GLN N N 10 119.772 119.772 120.612 -0.840 25656 3154 1 9 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.571 0.478 25656 3155 1 9 . 1 1 10 10 GLN C C 10 175.878 175.878 175.619 0.259 25656 3156 1 9 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.127 -0.507 25656 3157 1 9 . 1 1 10 10 GLN CB C 10 30.978 30.978 29.117 1.861 25656 3158 1 9 . 1 1 10 10 GLN H H 10 8.768 8.768 8.674 0.094 25656 3159 1 9 . 1 1 11 11 GLY N N 11 106.316 106.316 111.404 -5.088 25656 3160 1 9 . 1 1 11 11 GLY C C 11 170.761 170.761 171.816 -1.055 25656 3161 1 9 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.739 1.884 25656 3162 1 9 . 1 1 11 11 GLY H H 11 8.708 8.708 8.827 -0.119 25656 3163 1 9 . 1 1 12 12 GLU N N 12 120.360 120.360 119.209 1.151 25656 3164 1 9 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.312 -0.177 25656 3165 1 9 . 1 1 12 12 GLU C C 12 175.783 175.783 175.975 -0.192 25656 3166 1 9 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.982 -0.401 25656 3167 1 9 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.987 -0.229 25656 3168 1 9 . 1 1 12 12 GLU H H 12 8.438 8.438 8.518 -0.080 25656 3169 1 9 . 1 1 13 13 VAL N N 13 126.730 126.730 124.840 1.890 25656 3170 1 9 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.120 -0.296 25656 3171 1 9 . 1 1 13 13 VAL C C 13 176.691 176.691 175.956 0.735 25656 3172 1 9 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.930 -0.241 25656 3173 1 9 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.365 0.160 25656 3174 1 9 . 1 1 13 13 VAL H H 13 8.957 8.957 8.788 0.169 25656 3175 1 9 . 1 1 14 14 ILE N N 14 124.542 124.542 127.997 -3.455 25656 3176 1 9 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.361 0.215 25656 3177 1 9 . 1 1 14 14 ILE C C 14 175.731 175.731 175.325 0.406 25656 3178 1 9 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.327 0.869 25656 3179 1 9 . 1 1 14 14 ILE CB C 14 39.570 39.570 40.358 -0.789 25656 3180 1 9 . 1 1 14 14 ILE H H 14 9.314 9.314 9.036 0.278 25656 3181 1 9 . 1 1 15 15 GLU N N 15 119.317 119.317 118.904 0.413 25656 3182 1 9 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.552 -0.181 25656 3183 1 9 . 1 1 15 15 GLU C C 15 173.127 173.127 174.118 -0.991 25656 3184 1 9 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.368 1.247 25656 3185 1 9 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.277 1.013 25656 3186 1 9 . 1 1 15 15 GLU H H 15 7.442 7.442 7.644 -0.202 25656 3187 1 9 . 1 1 16 16 ASN N N 16 127.204 127.204 120.827 6.377 25656 3188 1 9 . 1 1 16 16 ASN HA H 16 4.689 4.689 5.073 -0.384 25656 3189 1 9 . 1 1 16 16 ASN C C 16 174.024 174.024 174.307 -0.283 25656 3190 1 9 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.636 0.404 25656 3191 1 9 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.055 -1.382 25656 3192 1 9 . 1 1 16 16 ASN H H 16 9.025 9.025 8.629 0.396 25656 3193 1 9 . 1 1 17 17 LEU N N 17 125.683 125.683 126.427 -0.744 25656 3194 1 9 . 1 1 17 17 LEU HA H 17 4.647 4.647 5.031 -0.384 25656 3195 1 9 . 1 1 17 17 LEU C C 17 174.040 174.040 175.362 -1.322 25656 3196 1 9 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.633 1.673 25656 3197 1 9 . 1 1 17 17 LEU CB C 17 37.687 37.687 43.916 -6.229 25656 3198 1 9 . 1 1 17 17 LEU H H 17 8.034 8.034 8.181 -0.147 25656 3199 1 9 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.541 -0.253 25656 3200 1 9 . 1 1 18 18 PRO C C 18 176.016 176.016 176.257 -0.241 25656 3201 1 9 . 1 1 18 18 PRO CA C 18 63.367 63.367 63.000 0.367 25656 3202 1 9 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.490 -0.399 25656 3203 1 9 . 1 1 19 19 ASN N N 19 116.522 116.522 113.342 3.180 25656 3204 1 9 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.433 -0.188 25656 3205 1 9 . 1 1 19 19 ASN C C 19 174.993 174.993 174.417 0.576 25656 3206 1 9 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.652 -0.081 25656 3207 1 9 . 1 1 19 19 ASN CB C 19 36.724 36.724 36.714 0.010 25656 3208 1 9 . 1 1 19 19 ASN H H 19 8.567 8.567 8.657 -0.090 25656 3209 1 9 . 1 1 20 20 ALA N N 20 118.637 118.637 118.717 -0.080 25656 3210 1 9 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.782 -0.061 25656 3211 1 9 . 1 1 20 20 ALA C C 20 175.092 175.092 175.744 -0.652 25656 3212 1 9 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.393 -0.416 25656 3213 1 9 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.445 -0.341 25656 3214 1 9 . 1 1 20 20 ALA H H 20 8.525 8.525 8.138 0.387 25656 3215 1 9 . 1 1 21 21 THR N N 21 108.302 108.302 108.345 -0.043 25656 3216 1 9 . 1 1 21 21 THR HA H 21 4.885 4.885 4.935 -0.050 25656 3217 1 9 . 1 1 21 21 THR C C 21 172.847 172.847 172.635 0.212 25656 3218 1 9 . 1 1 21 21 THR CA C 21 60.830 60.830 60.567 0.263 25656 3219 1 9 . 1 1 21 21 THR CB C 21 71.112 71.112 71.313 -0.201 25656 3220 1 9 . 1 1 21 21 THR H H 21 6.252 6.252 7.210 -0.958 25656 3221 1 9 . 1 1 23 23 ARG N N 23 123.805 123.805 120.075 3.730 25656 3222 1 9 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.509 -0.579 25656 3223 1 9 . 1 1 23 23 ARG C C 23 174.832 174.832 175.201 -0.369 25656 3224 1 9 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.767 1.651 25656 3225 1 9 . 1 1 23 23 ARG CB C 23 31.445 31.445 33.158 -1.713 25656 3226 1 9 . 1 1 23 23 ARG H H 23 8.987 8.987 8.657 0.330 25656 3227 1 9 . 1 1 24 24 VAL N N 24 127.572 127.572 117.976 9.596 25656 3228 1 9 . 1 1 24 24 VAL C C 24 173.297 173.297 174.114 -0.817 25656 3229 1 9 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.884 0.955 25656 3230 1 9 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.920 -1.279 25656 3231 1 9 . 1 1 24 24 VAL H H 24 9.349 9.349 8.817 0.532 25656 3232 1 9 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.464 -0.260 25656 3233 1 9 . 1 1 26 26 LEU C C 26 174.549 174.549 178.375 -3.826 25656 3234 1 9 . 1 1 26 26 LEU CA C 26 56.400 56.400 54.852 1.548 25656 3235 1 9 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.387 -6.367 25656 3236 1 9 . 1 1 27 27 GLU N N 27 119.804 119.804 118.809 0.995 25656 3237 1 9 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.229 -0.151 25656 3238 1 9 . 1 1 27 27 GLU C C 27 176.188 176.188 178.121 -1.933 25656 3239 1 9 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.734 -0.210 25656 3240 1 9 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.503 0.105 25656 3241 1 9 . 1 1 27 27 GLU H H 27 8.393 8.393 8.797 -0.404 25656 3242 1 9 . 1 1 28 28 ASN N N 28 113.245 113.245 116.771 -3.526 25656 3243 1 9 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.613 -0.052 25656 3244 1 9 . 1 1 28 28 ASN C C 28 176.329 176.329 176.065 0.264 25656 3245 1 9 . 1 1 28 28 ASN CA C 28 52.301 52.301 54.112 -1.811 25656 3246 1 9 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.548 -1.081 25656 3247 1 9 . 1 1 28 28 ASN H H 28 7.100 7.100 8.524 -1.424 25656 3248 1 9 . 1 1 29 29 GLY N N 29 108.088 108.088 105.367 2.721 25656 3249 1 9 . 1 1 29 29 GLY C C 29 174.238 174.238 173.638 0.600 25656 3250 1 9 . 1 1 29 29 GLY CA C 29 45.066 45.066 45.203 -0.137 25656 3251 1 9 . 1 1 29 29 GLY H H 29 8.228 8.228 8.194 0.035 25656 3252 1 9 . 1 1 30 30 HIS N N 30 119.594 119.594 117.391 2.203 25656 3253 1 9 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.679 -0.137 25656 3254 1 9 . 1 1 30 30 HIS C C 30 173.598 173.598 174.585 -0.987 25656 3255 1 9 . 1 1 30 30 HIS CA C 30 55.603 55.603 54.651 0.952 25656 3256 1 9 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.502 -0.836 25656 3257 1 9 . 1 1 30 30 HIS H H 30 7.840 7.840 7.875 -0.035 25656 3258 1 9 . 1 1 31 31 VAL N N 31 123.476 123.476 119.286 4.190 25656 3259 1 9 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.737 0.251 25656 3260 1 9 . 1 1 31 31 VAL C C 31 176.217 176.217 175.406 0.811 25656 3261 1 9 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.447 0.901 25656 3262 1 9 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.579 -0.971 25656 3263 1 9 . 1 1 31 31 VAL H H 31 8.384 8.384 8.379 0.005 25656 3264 1 9 . 1 1 32 32 VAL N N 32 119.944 119.944 121.120 -1.176 25656 3265 1 9 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.481 0.209 25656 3266 1 9 . 1 1 32 32 VAL C C 32 173.802 173.802 174.411 -0.609 25656 3267 1 9 . 1 1 32 32 VAL CA C 32 58.327 58.327 59.415 -1.088 25656 3268 1 9 . 1 1 32 32 VAL CB C 32 35.466 35.466 34.113 1.353 25656 3269 1 9 . 1 1 32 32 VAL H H 32 8.933 8.933 8.839 0.094 25656 3270 1 9 . 1 1 33 33 LEU N N 33 122.390 122.390 127.450 -5.060 25656 3271 1 9 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.432 -0.367 25656 3272 1 9 . 1 1 33 33 LEU C C 33 173.779 173.779 175.998 -2.219 25656 3273 1 9 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.604 4.813 25656 3274 1 9 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.754 -9.299 25656 3275 1 9 . 1 1 33 33 LEU H H 33 8.075 8.075 8.593 -0.518 25656 3276 1 9 . 1 1 34 34 GLY N N 34 111.534 111.534 112.509 -0.975 25656 3277 1 9 . 1 1 34 34 GLY C C 34 171.754 171.754 171.701 0.053 25656 3278 1 9 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.424 -1.672 25656 3279 1 9 . 1 1 34 34 GLY H H 34 9.710 9.710 8.560 1.150 25656 3280 1 9 . 1 1 35 35 HIS N N 35 117.412 117.412 115.741 1.671 25656 3281 1 9 . 1 1 35 35 HIS HA H 35 5.396 5.396 4.786 0.610 25656 3282 1 9 . 1 1 35 35 HIS C C 35 173.973 173.973 173.978 -0.005 25656 3283 1 9 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.551 0.857 25656 3284 1 9 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.746 -0.311 25656 3285 1 9 . 1 1 35 35 HIS H H 35 8.002 8.002 8.186 -0.184 25656 3286 1 9 . 1 1 36 36 ILE N N 36 122.073 122.073 123.408 -1.335 25656 3287 1 9 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.260 0.080 25656 3288 1 9 . 1 1 36 36 ILE C C 36 175.549 175.549 174.503 1.046 25656 3289 1 9 . 1 1 36 36 ILE CA C 36 61.351 61.351 59.782 1.569 25656 3290 1 9 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.262 -0.117 25656 3291 1 9 . 1 1 36 36 ILE H H 36 9.102 9.102 8.448 0.654 25656 3292 1 9 . 1 1 37 37 SER N N 37 121.153 121.153 123.496 -2.343 25656 3293 1 9 . 1 1 37 37 SER HA H 37 4.519 4.519 4.939 -0.420 25656 3294 1 9 . 1 1 37 37 SER C C 37 174.975 174.975 173.031 1.944 25656 3295 1 9 . 1 1 37 37 SER CA C 37 57.656 57.656 57.169 0.486 25656 3296 1 9 . 1 1 37 37 SER CB C 37 64.856 64.856 65.990 -1.134 25656 3297 1 9 . 1 1 37 37 SER H H 37 8.474 8.474 7.897 0.577 25656 3298 1 9 . 1 1 38 38 GLY N N 38 112.083 112.083 107.734 4.349 25656 3299 1 9 . 1 1 38 38 GLY C C 38 175.790 175.790 173.558 2.232 25656 3300 1 9 . 1 1 38 38 GLY CA C 38 46.419 46.419 45.139 1.280 25656 3301 1 9 . 1 1 38 38 GLY H H 38 8.921 8.921 8.150 0.771 25656 3302 1 9 . 1 1 39 39 LYS N N 39 121.180 121.180 117.491 3.689 25656 3303 1 9 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.277 -0.171 25656 3304 1 9 . 1 1 39 39 LYS C C 39 178.014 178.014 177.151 0.863 25656 3305 1 9 . 1 1 39 39 LYS CA C 39 58.109 58.109 58.207 -0.098 25656 3306 1 9 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.605 -0.250 25656 3307 1 9 . 1 1 39 39 LYS H H 39 8.361 8.361 8.738 -0.377 25656 3308 1 9 . 1 1 40 40 MET N N 40 118.268 118.268 119.919 -1.651 25656 3309 1 9 . 1 1 40 40 MET HA H 40 4.320 4.320 4.593 -0.273 25656 3310 1 9 . 1 1 40 40 MET C C 40 177.027 177.027 177.259 -0.232 25656 3311 1 9 . 1 1 40 40 MET CA C 40 56.473 56.473 56.490 -0.017 25656 3312 1 9 . 1 1 40 40 MET CB C 40 32.505 32.505 32.761 -0.256 25656 3313 1 9 . 1 1 40 40 MET H H 40 7.888 7.888 8.099 -0.211 25656 3314 1 9 . 1 1 41 41 ARG N N 41 119.656 119.656 119.168 0.488 25656 3315 1 9 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.255 -0.240 25656 3316 1 9 . 1 1 41 41 ARG C C 41 177.123 177.123 177.676 -0.553 25656 3317 1 9 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.458 -0.696 25656 3318 1 9 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.479 0.579 25656 3319 1 9 . 1 1 41 41 ARG H H 41 7.872 7.872 8.407 -0.535 25656 3320 1 9 . 1 1 42 42 MET N N 42 117.106 117.106 118.555 -1.449 25656 3321 1 9 . 1 1 42 42 MET HA H 42 4.218 4.218 4.094 0.124 25656 3322 1 9 . 1 1 42 42 MET C C 42 176.078 176.078 175.808 0.270 25656 3323 1 9 . 1 1 42 42 MET CA C 42 56.295 56.295 55.623 0.672 25656 3324 1 9 . 1 1 42 42 MET CB C 42 32.024 32.024 32.192 -0.168 25656 3325 1 9 . 1 1 42 42 MET H H 42 7.839 7.839 7.667 0.172 25656 3326 1 9 . 1 1 43 43 HIS N N 43 117.200 117.200 117.444 -0.244 25656 3327 1 9 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.384 0.101 25656 3328 1 9 . 1 1 43 43 HIS C C 43 174.357 174.357 174.787 -0.430 25656 3329 1 9 . 1 1 43 43 HIS CA C 43 55.848 55.848 56.422 -0.574 25656 3330 1 9 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.683 0.322 25656 3331 1 9 . 1 1 43 43 HIS H H 43 7.720 7.720 7.318 0.402 25656 3332 1 9 . 1 1 44 44 TYR N N 44 119.368 119.368 116.275 3.093 25656 3333 1 9 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.220 0.122 25656 3334 1 9 . 1 1 44 44 TYR C C 44 175.078 175.078 175.856 -0.778 25656 3335 1 9 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.418 -0.183 25656 3336 1 9 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.202 2.694 25656 3337 1 9 . 1 1 44 44 TYR H H 44 7.817 7.817 7.164 0.653 25656 3338 1 9 . 1 1 45 45 ILE N N 45 122.575 122.575 116.731 5.844 25656 3339 1 9 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.190 -0.311 25656 3340 1 9 . 1 1 45 45 ILE C C 45 174.785 174.785 176.512 -1.727 25656 3341 1 9 . 1 1 45 45 ILE CA C 45 60.823 60.823 60.634 0.189 25656 3342 1 9 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.552 0.349 25656 3343 1 9 . 1 1 45 45 ILE H H 45 7.476 7.476 7.986 -0.510 25656 3344 1 9 . 1 1 46 46 ARG N N 46 125.127 125.127 121.318 3.809 25656 3345 1 9 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.524 -0.294 25656 3346 1 9 . 1 1 46 46 ARG C C 46 174.757 174.757 175.243 -0.486 25656 3347 1 9 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.718 0.076 25656 3348 1 9 . 1 1 46 46 ARG CB C 46 30.700 30.700 30.190 0.510 25656 3349 1 9 . 1 1 46 46 ARG H H 46 8.112 8.112 8.337 -0.225 25656 3350 1 9 . 1 1 47 47 ILE N N 47 125.531 125.531 125.077 0.454 25656 3351 1 9 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.317 -0.213 25656 3352 1 9 . 1 1 47 47 ILE C C 47 174.500 174.500 174.961 -0.461 25656 3353 1 9 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.657 -0.077 25656 3354 1 9 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.054 -0.655 25656 3355 1 9 . 1 1 47 47 ILE H H 47 7.781 7.781 8.512 -0.731 25656 3356 1 9 . 1 1 48 48 LEU N N 48 129.762 129.762 125.530 4.232 25656 3357 1 9 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.923 -0.013 25656 3358 1 9 . 1 1 48 48 LEU C C 48 174.536 174.536 174.064 0.472 25656 3359 1 9 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.037 9.612 25656 3360 1 9 . 1 1 48 48 LEU CB C 48 38.412 38.412 42.414 -4.003 25656 3361 1 9 . 1 1 48 48 LEU H H 48 8.754 8.754 8.147 0.607 25656 3362 1 9 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.482 -0.635 25656 3363 1 9 . 1 1 49 49 PRO C C 49 177.177 177.177 177.053 0.124 25656 3364 1 9 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.336 0.440 25656 3365 1 9 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.574 -0.467 25656 3366 1 9 . 1 1 50 50 GLY N N 50 115.039 115.039 113.764 1.275 25656 3367 1 9 . 1 1 50 50 GLY C C 50 174.684 174.684 173.341 1.343 25656 3368 1 9 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.721 -0.379 25656 3369 1 9 . 1 1 50 50 GLY H H 50 9.247 9.247 8.451 0.796 25656 3370 1 9 . 1 1 51 51 ASP N N 51 122.122 122.122 121.391 0.731 25656 3371 1 9 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.700 -0.208 25656 3372 1 9 . 1 1 51 51 ASP C C 51 175.571 175.571 175.328 0.243 25656 3373 1 9 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.801 1.502 25656 3374 1 9 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.949 -2.125 25656 3375 1 9 . 1 1 51 51 ASP H H 51 8.157 8.157 7.657 0.500 25656 3376 1 9 . 1 1 52 52 LYS N N 52 121.252 121.252 124.821 -3.569 25656 3377 1 9 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.621 0.361 25656 3378 1 9 . 1 1 52 52 LYS C C 52 176.797 176.797 176.482 0.315 25656 3379 1 9 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.612 -1.867 25656 3380 1 9 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.401 -0.165 25656 3381 1 9 . 1 1 52 52 LYS H H 52 8.501 8.501 8.725 -0.224 25656 3382 1 9 . 1 1 53 53 VAL N N 53 114.328 114.328 119.765 -5.437 25656 3383 1 9 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.635 0.214 25656 3384 1 9 . 1 1 53 53 VAL C C 53 174.261 174.261 174.142 0.119 25656 3385 1 9 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.560 -1.391 25656 3386 1 9 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.995 -0.325 25656 3387 1 9 . 1 1 53 53 VAL H H 53 8.552 8.552 9.151 -0.599 25656 3388 1 9 . 1 1 54 54 THR N N 54 117.790 117.790 119.094 -1.304 25656 3389 1 9 . 1 1 54 54 THR HA H 54 4.642 4.642 5.088 -0.446 25656 3390 1 9 . 1 1 54 54 THR C C 54 173.653 173.653 173.910 -0.257 25656 3391 1 9 . 1 1 54 54 THR CA C 54 62.276 62.276 62.217 0.059 25656 3392 1 9 . 1 1 54 54 THR CB C 54 69.042 69.042 69.744 -0.702 25656 3393 1 9 . 1 1 54 54 THR H H 54 8.421 8.421 8.132 0.289 25656 3394 1 9 . 1 1 55 55 VAL N N 55 120.671 120.671 116.794 3.877 25656 3395 1 9 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.037 0.198 25656 3396 1 9 . 1 1 55 55 VAL C C 55 174.027 174.027 174.062 -0.035 25656 3397 1 9 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.452 -1.560 25656 3398 1 9 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.457 -1.135 25656 3399 1 9 . 1 1 55 55 VAL H H 55 9.096 9.096 9.127 -0.031 25656 3400 1 9 . 1 1 56 56 GLU N N 56 121.070 121.070 125.503 -4.433 25656 3401 1 9 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.035 0.150 25656 3402 1 9 . 1 1 56 56 GLU C C 56 175.974 175.974 174.582 1.392 25656 3403 1 9 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.163 -0.811 25656 3404 1 9 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.368 0.493 25656 3405 1 9 . 1 1 56 56 GLU H H 56 9.094 9.094 8.430 0.664 25656 3406 1 9 . 1 1 57 57 LEU N N 57 124.646 124.646 127.875 -3.229 25656 3407 1 9 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.788 0.031 25656 3408 1 9 . 1 1 57 57 LEU C C 57 175.906 175.906 174.890 1.016 25656 3409 1 9 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.330 1.155 25656 3410 1 9 . 1 1 57 57 LEU CB C 57 43.356 43.356 46.630 -3.274 25656 3411 1 9 . 1 1 57 57 LEU H H 57 9.030 9.030 7.986 1.044 25656 3412 1 9 . 1 1 58 58 THR N N 58 115.858 115.858 113.206 2.652 25656 3413 1 9 . 1 1 58 58 THR HA H 58 4.841 4.841 5.078 -0.237 25656 3414 1 9 . 1 1 58 58 THR C C 58 174.000 174.000 173.540 0.460 25656 3415 1 9 . 1 1 58 58 THR CA C 58 58.292 58.292 58.706 -0.414 25656 3416 1 9 . 1 1 58 58 THR CB C 58 68.768 68.768 69.684 -0.916 25656 3417 1 9 . 1 1 58 58 THR H H 58 8.743 8.743 8.006 0.737 25656 3418 1 9 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.266 -0.280 25656 3419 1 9 . 1 1 59 59 PRO C C 59 176.595 176.595 177.341 -0.746 25656 3420 1 9 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.576 -0.425 25656 3421 1 9 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.691 0.019 25656 3422 1 9 . 1 1 60 60 TYR N N 60 113.107 113.107 118.481 -5.374 25656 3423 1 9 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.293 0.086 25656 3424 1 9 . 1 1 60 60 TYR C C 60 175.399 175.399 175.259 0.140 25656 3425 1 9 . 1 1 60 60 TYR CA C 60 57.467 57.467 59.642 -2.175 25656 3426 1 9 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.547 -0.938 25656 3427 1 9 . 1 1 60 60 TYR H H 60 7.112 7.112 8.301 -1.189 25656 3428 1 9 . 1 1 61 61 ASP N N 61 118.812 118.812 116.818 1.994 25656 3429 1 9 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.885 -0.238 25656 3430 1 9 . 1 1 61 61 ASP C C 61 175.315 175.315 175.345 -0.030 25656 3431 1 9 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.897 -0.127 25656 3432 1 9 . 1 1 61 61 ASP CB C 61 40.718 40.718 42.799 -2.081 25656 3433 1 9 . 1 1 61 61 ASP H H 61 7.389 7.389 8.027 -0.638 25656 3434 1 9 . 1 1 62 62 LEU N N 62 123.980 123.980 120.431 3.549 25656 3435 1 9 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.815 -0.523 25656 3436 1 9 . 1 1 62 62 LEU C C 62 175.285 175.285 176.494 -1.209 25656 3437 1 9 . 1 1 62 62 LEU CA C 62 53.827 53.827 54.895 -1.068 25656 3438 1 9 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.001 -1.258 25656 3439 1 9 . 1 1 62 62 LEU H H 62 8.546 8.546 8.411 0.135 25656 3440 1 9 . 1 1 63 63 SER N N 63 113.177 113.177 115.324 -2.147 25656 3441 1 9 . 1 1 63 63 SER HA H 63 4.506 4.506 4.730 -0.224 25656 3442 1 9 . 1 1 63 63 SER C C 63 174.295 174.295 173.606 0.689 25656 3443 1 9 . 1 1 63 63 SER CA C 63 59.561 59.561 57.639 1.922 25656 3444 1 9 . 1 1 63 63 SER CB C 63 64.377 64.377 62.892 1.485 25656 3445 1 9 . 1 1 63 63 SER H H 63 8.307 8.307 7.916 0.391 25656 3446 1 9 . 1 1 64 64 ARG N N 64 121.271 121.271 117.023 4.248 25656 3447 1 9 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.883 0.113 25656 3448 1 9 . 1 1 64 64 ARG C C 64 174.350 174.350 173.706 0.644 25656 3449 1 9 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.746 -0.790 25656 3450 1 9 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.541 1.231 25656 3451 1 9 . 1 1 64 64 ARG H H 64 7.477 7.477 7.488 -0.011 25656 3452 1 9 . 1 1 65 65 ALA N N 65 121.899 121.899 125.788 -3.889 25656 3453 1 9 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.013 -0.192 25656 3454 1 9 . 1 1 65 65 ALA C C 65 175.764 175.764 175.120 0.644 25656 3455 1 9 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.546 0.568 25656 3456 1 9 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.095 -0.648 25656 3457 1 9 . 1 1 65 65 ALA H H 65 8.371 8.371 8.709 -0.338 25656 3458 1 9 . 1 1 66 66 ARG N N 66 120.933 120.933 118.525 2.408 25656 3459 1 9 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.521 0.161 25656 3460 1 9 . 1 1 66 66 ARG C C 66 175.669 175.669 175.465 0.204 25656 3461 1 9 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.473 -0.271 25656 3462 1 9 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.445 1.252 25656 3463 1 9 . 1 1 66 66 ARG H H 66 8.531 8.531 8.417 0.114 25656 3464 1 9 . 1 1 67 67 ILE N N 67 125.277 125.277 123.874 1.403 25656 3465 1 9 . 1 1 67 67 ILE HA H 67 4.532 4.532 3.990 0.542 25656 3466 1 9 . 1 1 67 67 ILE C C 67 174.856 174.856 175.215 -0.359 25656 3467 1 9 . 1 1 67 67 ILE CA C 67 60.726 60.726 62.166 -1.440 25656 3468 1 9 . 1 1 67 67 ILE CB C 67 34.516 34.516 38.088 -3.572 25656 3469 1 9 . 1 1 67 67 ILE H H 67 8.720 8.720 7.711 1.009 25656 3470 1 9 . 1 1 68 68 VAL N N 68 128.292 128.292 123.486 4.806 25656 3471 1 9 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.010 0.662 25656 3472 1 9 . 1 1 68 68 VAL C C 68 176.302 176.302 175.491 0.811 25656 3473 1 9 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.033 -5.006 25656 3474 1 9 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.420 -0.726 25656 3475 1 9 . 1 1 68 68 VAL H H 68 9.141 9.141 8.322 0.819 25656 3476 1 9 . 1 1 69 69 PHE N N 69 129.227 129.227 119.766 9.461 25656 3477 1 9 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.397 0.282 25656 3478 1 9 . 1 1 69 69 PHE C C 69 176.295 176.295 176.568 -0.273 25656 3479 1 9 . 1 1 69 69 PHE CA C 69 55.054 55.054 58.466 -3.412 25656 3480 1 9 . 1 1 69 69 PHE CB C 69 33.698 33.698 39.086 -5.388 25656 3481 1 9 . 1 1 69 69 PHE H H 69 9.256 9.256 7.798 1.458 25656 3482 1 9 . 1 1 70 70 ARG N N 70 121.729 121.729 120.361 1.368 25656 3483 1 9 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.128 -0.101 25656 3484 1 9 . 1 1 70 70 ARG C C 70 176.193 176.193 176.226 -0.033 25656 3485 1 9 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.769 -0.109 25656 3486 1 9 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.796 -0.786 25656 3487 1 9 . 1 1 70 70 ARG H H 70 8.277 8.277 8.558 -0.281 25656 3488 1 9 . 1 1 71 71 ALA N N 71 124.554 124.554 127.706 -3.152 25656 3489 1 9 . 1 1 71 71 ALA C C 71 177.627 177.627 177.824 -0.197 25656 3490 1 9 . 1 1 71 71 ALA CA C 71 52.479 52.479 53.112 -0.633 25656 3491 1 9 . 1 1 71 71 ALA CB C 71 19.027 19.027 19.506 -0.479 25656 3492 1 9 . 1 1 71 71 ALA H H 71 8.166 8.166 8.104 0.062 25656 3493 1 10 . 1 1 2 2 ALA N N 2 125.535 125.535 123.414 2.121 25656 3494 1 10 . 1 1 2 2 ALA HA H 2 4.243 4.243 5.232 -0.989 25656 3495 1 10 . 1 1 2 2 ALA C C 2 177.715 177.715 175.420 2.295 25656 3496 1 10 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.317 1.126 25656 3497 1 10 . 1 1 2 2 ALA CB C 2 19.244 19.244 20.992 -1.748 25656 3498 1 10 . 1 1 2 2 ALA H H 2 8.245 8.245 8.255 -0.010 25656 3499 1 10 . 1 1 3 3 LYS N N 3 120.509 120.509 120.777 -0.268 25656 3500 1 10 . 1 1 3 3 LYS HA H 3 4.208 4.208 5.049 -0.841 25656 3501 1 10 . 1 1 3 3 LYS C C 3 176.294 176.294 174.819 1.475 25656 3502 1 10 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.780 0.666 25656 3503 1 10 . 1 1 3 3 LYS CB C 3 32.804 32.804 35.329 -2.525 25656 3504 1 10 . 1 1 3 3 LYS H H 3 8.233 8.233 8.952 -0.719 25656 3505 1 10 . 1 1 4 4 ASP N N 4 120.299 120.299 120.085 0.214 25656 3506 1 10 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.751 -0.188 25656 3507 1 10 . 1 1 4 4 ASP C C 4 175.657 175.657 174.763 0.894 25656 3508 1 10 . 1 1 4 4 ASP CA C 4 54.278 54.278 53.730 0.548 25656 3509 1 10 . 1 1 4 4 ASP CB C 4 41.054 41.054 43.609 -2.555 25656 3510 1 10 . 1 1 4 4 ASP H H 4 8.185 8.185 8.690 -0.505 25656 3511 1 10 . 1 1 5 5 ASP N N 5 120.293 120.293 120.521 -0.228 25656 3512 1 10 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.787 -0.262 25656 3513 1 10 . 1 1 5 5 ASP C C 5 175.396 175.396 175.528 -0.132 25656 3514 1 10 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.823 0.610 25656 3515 1 10 . 1 1 5 5 ASP CB C 5 41.072 41.072 41.402 -0.330 25656 3516 1 10 . 1 1 5 5 ASP H H 5 8.082 8.082 8.437 -0.355 25656 3517 1 10 . 1 1 6 6 VAL N N 6 116.889 116.889 117.079 -0.190 25656 3518 1 10 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.246 0.138 25656 3519 1 10 . 1 1 6 6 VAL C C 6 175.536 175.536 175.322 0.214 25656 3520 1 10 . 1 1 6 6 VAL CA C 6 61.196 61.196 61.401 -0.205 25656 3521 1 10 . 1 1 6 6 VAL CB C 6 34.079 34.079 33.098 0.981 25656 3522 1 10 . 1 1 6 6 VAL H H 6 7.692 7.692 7.523 0.169 25656 3523 1 10 . 1 1 7 7 ILE N N 7 123.931 123.931 120.649 3.282 25656 3524 1 10 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.660 -0.341 25656 3525 1 10 . 1 1 7 7 ILE C C 7 174.693 174.693 174.335 0.358 25656 3526 1 10 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.567 -0.596 25656 3527 1 10 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.111 -0.361 25656 3528 1 10 . 1 1 7 7 ILE H H 7 8.638 8.638 8.113 0.525 25656 3529 1 10 . 1 1 8 8 GLN N N 8 123.223 123.223 125.109 -1.886 25656 3530 1 10 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.736 0.724 25656 3531 1 10 . 1 1 8 8 GLN C C 8 175.824 175.824 174.906 0.918 25656 3532 1 10 . 1 1 8 8 GLN CA C 8 54.115 54.115 54.925 -0.810 25656 3533 1 10 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.975 0.746 25656 3534 1 10 . 1 1 8 8 GLN H H 8 8.381 8.381 8.324 0.057 25656 3535 1 10 . 1 1 9 9 MET N N 9 121.931 121.931 122.827 -0.896 25656 3536 1 10 . 1 1 9 9 MET HA H 9 4.657 4.657 4.787 -0.130 25656 3537 1 10 . 1 1 9 9 MET C C 9 173.567 173.567 175.100 -1.533 25656 3538 1 10 . 1 1 9 9 MET CA C 9 54.778 54.778 53.897 0.881 25656 3539 1 10 . 1 1 9 9 MET CB C 9 38.194 38.194 35.713 2.481 25656 3540 1 10 . 1 1 9 9 MET H H 9 8.858 8.858 9.034 -0.176 25656 3541 1 10 . 1 1 10 10 GLN N N 10 119.772 119.772 121.007 -1.235 25656 3542 1 10 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.718 0.331 25656 3543 1 10 . 1 1 10 10 GLN C C 10 175.878 175.878 175.602 0.276 25656 3544 1 10 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.094 -0.475 25656 3545 1 10 . 1 1 10 10 GLN CB C 10 30.978 30.978 29.683 1.295 25656 3546 1 10 . 1 1 10 10 GLN H H 10 8.768 8.768 8.641 0.127 25656 3547 1 10 . 1 1 11 11 GLY N N 11 106.316 106.316 111.214 -4.898 25656 3548 1 10 . 1 1 11 11 GLY C C 11 170.761 170.761 171.739 -0.978 25656 3549 1 10 . 1 1 11 11 GLY CA C 11 45.623 45.623 44.313 1.310 25656 3550 1 10 . 1 1 11 11 GLY H H 11 8.708 8.708 8.735 -0.027 25656 3551 1 10 . 1 1 12 12 GLU N N 12 120.360 120.360 119.318 1.042 25656 3552 1 10 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.325 -0.190 25656 3553 1 10 . 1 1 12 12 GLU C C 12 175.783 175.783 176.402 -0.619 25656 3554 1 10 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.675 -0.094 25656 3555 1 10 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.769 -0.011 25656 3556 1 10 . 1 1 12 12 GLU H H 12 8.438 8.438 8.612 -0.174 25656 3557 1 10 . 1 1 13 13 VAL N N 13 126.730 126.730 125.531 1.199 25656 3558 1 10 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.017 -0.193 25656 3559 1 10 . 1 1 13 13 VAL C C 13 176.691 176.691 175.773 0.918 25656 3560 1 10 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.678 0.011 25656 3561 1 10 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.208 0.317 25656 3562 1 10 . 1 1 13 13 VAL H H 13 8.957 8.957 8.906 0.051 25656 3563 1 10 . 1 1 14 14 ILE N N 14 124.542 124.542 127.090 -2.548 25656 3564 1 10 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.306 0.270 25656 3565 1 10 . 1 1 14 14 ILE C C 14 175.731 175.731 175.060 0.671 25656 3566 1 10 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.982 0.214 25656 3567 1 10 . 1 1 14 14 ILE CB C 14 39.570 39.570 39.612 -0.042 25656 3568 1 10 . 1 1 14 14 ILE H H 14 9.314 9.314 8.749 0.565 25656 3569 1 10 . 1 1 15 15 GLU N N 15 119.317 119.317 120.107 -0.790 25656 3570 1 10 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.606 -0.235 25656 3571 1 10 . 1 1 15 15 GLU C C 15 173.127 173.127 174.391 -1.264 25656 3572 1 10 . 1 1 15 15 GLU CA C 15 56.615 56.615 54.931 1.684 25656 3573 1 10 . 1 1 15 15 GLU CB C 15 34.290 34.290 32.813 1.477 25656 3574 1 10 . 1 1 15 15 GLU H H 15 7.442 7.442 7.806 -0.364 25656 3575 1 10 . 1 1 16 16 ASN N N 16 127.204 127.204 120.884 6.320 25656 3576 1 10 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.899 -0.210 25656 3577 1 10 . 1 1 16 16 ASN C C 16 174.024 174.024 173.559 0.465 25656 3578 1 10 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.535 0.505 25656 3579 1 10 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.947 -2.274 25656 3580 1 10 . 1 1 16 16 ASN H H 16 9.025 9.025 8.610 0.415 25656 3581 1 10 . 1 1 17 17 LEU N N 17 125.683 125.683 121.882 3.801 25656 3582 1 10 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.852 -0.205 25656 3583 1 10 . 1 1 17 17 LEU C C 17 174.040 174.040 174.570 -0.530 25656 3584 1 10 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.566 1.740 25656 3585 1 10 . 1 1 17 17 LEU CB C 17 37.687 37.687 44.773 -7.086 25656 3586 1 10 . 1 1 17 17 LEU H H 17 8.034 8.034 7.467 0.567 25656 3587 1 10 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.376 -0.088 25656 3588 1 10 . 1 1 18 18 PRO C C 18 176.016 176.016 176.034 -0.018 25656 3589 1 10 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.750 0.617 25656 3590 1 10 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.163 -0.072 25656 3591 1 10 . 1 1 19 19 ASN N N 19 116.522 116.522 114.834 1.688 25656 3592 1 10 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.367 -0.122 25656 3593 1 10 . 1 1 19 19 ASN C C 19 174.993 174.993 174.144 0.849 25656 3594 1 10 . 1 1 19 19 ASN CA C 19 53.571 53.571 52.999 0.572 25656 3595 1 10 . 1 1 19 19 ASN CB C 19 36.724 36.724 38.249 -1.525 25656 3596 1 10 . 1 1 19 19 ASN H H 19 8.567 8.567 8.550 0.017 25656 3597 1 10 . 1 1 20 20 ALA N N 20 118.637 118.637 116.352 2.285 25656 3598 1 10 . 1 1 20 20 ALA HA H 20 3.721 3.721 4.016 -0.295 25656 3599 1 10 . 1 1 20 20 ALA C C 20 175.092 175.092 175.872 -0.780 25656 3600 1 10 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.320 -0.343 25656 3601 1 10 . 1 1 20 20 ALA CB C 20 17.104 17.104 18.160 -1.056 25656 3602 1 10 . 1 1 20 20 ALA H H 20 8.525 8.525 8.273 0.252 25656 3603 1 10 . 1 1 21 21 THR N N 21 108.302 108.302 113.204 -4.902 25656 3604 1 10 . 1 1 21 21 THR HA H 21 4.885 4.885 5.379 -0.494 25656 3605 1 10 . 1 1 21 21 THR C C 21 172.847 172.847 172.927 -0.080 25656 3606 1 10 . 1 1 21 21 THR CA C 21 60.830 60.830 61.781 -0.951 25656 3607 1 10 . 1 1 21 21 THR CB C 21 71.112 71.112 72.135 -1.023 25656 3608 1 10 . 1 1 21 21 THR H H 21 6.252 6.252 7.288 -1.036 25656 3609 1 10 . 1 1 23 23 ARG N N 23 123.805 123.805 122.304 1.501 25656 3610 1 10 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.381 -0.451 25656 3611 1 10 . 1 1 23 23 ARG C C 23 174.832 174.832 174.129 0.703 25656 3612 1 10 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.856 1.562 25656 3613 1 10 . 1 1 23 23 ARG CB C 23 31.445 31.445 33.578 -2.133 25656 3614 1 10 . 1 1 23 23 ARG H H 23 8.987 8.987 8.616 0.371 25656 3615 1 10 . 1 1 24 24 VAL N N 24 127.572 127.572 126.240 1.332 25656 3616 1 10 . 1 1 24 24 VAL C C 24 173.297 173.297 173.590 -0.293 25656 3617 1 10 . 1 1 24 24 VAL CA C 24 60.839 60.839 60.015 0.824 25656 3618 1 10 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.839 -1.198 25656 3619 1 10 . 1 1 24 24 VAL H H 24 9.349 9.349 8.652 0.697 25656 3620 1 10 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.291 -0.087 25656 3621 1 10 . 1 1 26 26 LEU C C 26 174.549 174.549 178.250 -3.701 25656 3622 1 10 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.383 1.017 25656 3623 1 10 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.017 -5.997 25656 3624 1 10 . 1 1 27 27 GLU N N 27 119.804 119.804 117.631 2.173 25656 3625 1 10 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.300 -0.222 25656 3626 1 10 . 1 1 27 27 GLU C C 27 176.188 176.188 177.558 -1.370 25656 3627 1 10 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.044 0.480 25656 3628 1 10 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.571 0.037 25656 3629 1 10 . 1 1 27 27 GLU H H 27 8.393 8.393 8.610 -0.217 25656 3630 1 10 . 1 1 28 28 ASN N N 28 113.245 113.245 116.880 -3.635 25656 3631 1 10 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.578 -0.017 25656 3632 1 10 . 1 1 28 28 ASN C C 28 176.329 176.329 175.969 0.360 25656 3633 1 10 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.474 -1.173 25656 3634 1 10 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.532 -1.065 25656 3635 1 10 . 1 1 28 28 ASN H H 28 7.100 7.100 8.035 -0.935 25656 3636 1 10 . 1 1 29 29 GLY N N 29 108.088 108.088 105.894 2.194 25656 3637 1 10 . 1 1 29 29 GLY C C 29 174.238 174.238 174.524 -0.286 25656 3638 1 10 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.845 0.221 25656 3639 1 10 . 1 1 29 29 GLY H H 29 8.228 8.228 8.173 0.055 25656 3640 1 10 . 1 1 30 30 HIS N N 30 119.594 119.594 121.828 -2.234 25656 3641 1 10 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.451 0.091 25656 3642 1 10 . 1 1 30 30 HIS C C 30 173.598 173.598 174.378 -0.780 25656 3643 1 10 . 1 1 30 30 HIS CA C 30 55.603 55.603 56.984 -1.381 25656 3644 1 10 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.861 -1.195 25656 3645 1 10 . 1 1 30 30 HIS H H 30 7.840 7.840 8.329 -0.489 25656 3646 1 10 . 1 1 31 31 VAL N N 31 123.476 123.476 114.806 8.670 25656 3647 1 10 . 1 1 31 31 VAL HA H 31 4.988 4.988 5.113 -0.125 25656 3648 1 10 . 1 1 31 31 VAL C C 31 176.217 176.217 175.060 1.157 25656 3649 1 10 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.464 0.884 25656 3650 1 10 . 1 1 31 31 VAL CB C 31 32.608 32.608 34.919 -2.311 25656 3651 1 10 . 1 1 31 31 VAL H H 31 8.384 8.384 8.197 0.187 25656 3652 1 10 . 1 1 32 32 VAL N N 32 119.944 119.944 120.126 -0.182 25656 3653 1 10 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.603 0.088 25656 3654 1 10 . 1 1 32 32 VAL C C 32 173.802 173.802 174.316 -0.514 25656 3655 1 10 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.456 -2.129 25656 3656 1 10 . 1 1 32 32 VAL CB C 32 35.466 35.466 34.483 0.983 25656 3657 1 10 . 1 1 32 32 VAL H H 32 8.933 8.933 8.915 0.018 25656 3658 1 10 . 1 1 33 33 LEU N N 33 122.390 122.390 127.009 -4.619 25656 3659 1 10 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.332 -0.267 25656 3660 1 10 . 1 1 33 33 LEU C C 33 173.779 173.779 176.270 -2.491 25656 3661 1 10 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.607 4.810 25656 3662 1 10 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.682 -9.227 25656 3663 1 10 . 1 1 33 33 LEU H H 33 8.075 8.075 8.480 -0.405 25656 3664 1 10 . 1 1 34 34 GLY N N 34 111.534 111.534 112.544 -1.010 25656 3665 1 10 . 1 1 34 34 GLY C C 34 171.754 171.754 171.869 -0.115 25656 3666 1 10 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.506 -1.754 25656 3667 1 10 . 1 1 34 34 GLY H H 34 9.710 9.710 8.870 0.840 25656 3668 1 10 . 1 1 35 35 HIS N N 35 117.412 117.412 115.894 1.518 25656 3669 1 10 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.269 0.127 25656 3670 1 10 . 1 1 35 35 HIS C C 35 173.973 173.973 174.203 -0.230 25656 3671 1 10 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.487 0.921 25656 3672 1 10 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.656 -0.221 25656 3673 1 10 . 1 1 35 35 HIS H H 35 8.002 8.002 7.838 0.164 25656 3674 1 10 . 1 1 36 36 ILE N N 36 122.073 122.073 123.188 -1.115 25656 3675 1 10 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.471 -0.131 25656 3676 1 10 . 1 1 36 36 ILE C C 36 175.549 175.549 174.695 0.854 25656 3677 1 10 . 1 1 36 36 ILE CA C 36 61.351 61.351 60.260 1.091 25656 3678 1 10 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.886 -0.741 25656 3679 1 10 . 1 1 36 36 ILE H H 36 9.102 9.102 8.855 0.247 25656 3680 1 10 . 1 1 37 37 SER N N 37 121.153 121.153 122.454 -1.301 25656 3681 1 10 . 1 1 37 37 SER HA H 37 4.519 4.519 4.872 -0.353 25656 3682 1 10 . 1 1 37 37 SER C C 37 174.975 174.975 173.219 1.756 25656 3683 1 10 . 1 1 37 37 SER CA C 37 57.656 57.656 57.553 0.103 25656 3684 1 10 . 1 1 37 37 SER CB C 37 64.856 64.856 64.889 -0.033 25656 3685 1 10 . 1 1 37 37 SER H H 37 8.474 8.474 8.711 -0.237 25656 3686 1 10 . 1 1 38 38 GLY N N 38 112.083 112.083 110.378 1.705 25656 3687 1 10 . 1 1 38 38 GLY C C 38 175.790 175.790 172.839 2.951 25656 3688 1 10 . 1 1 38 38 GLY CA C 38 46.419 46.419 45.215 1.204 25656 3689 1 10 . 1 1 38 38 GLY H H 38 8.921 8.921 8.029 0.892 25656 3690 1 10 . 1 1 39 39 LYS N N 39 121.180 121.180 119.178 2.002 25656 3691 1 10 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.367 -0.261 25656 3692 1 10 . 1 1 39 39 LYS C C 39 178.014 178.014 178.093 -0.079 25656 3693 1 10 . 1 1 39 39 LYS CA C 39 58.109 58.109 57.226 0.883 25656 3694 1 10 . 1 1 39 39 LYS CB C 39 32.355 32.355 33.054 -0.699 25656 3695 1 10 . 1 1 39 39 LYS H H 39 8.361 8.361 8.349 0.012 25656 3696 1 10 . 1 1 40 40 MET N N 40 118.268 118.268 118.815 -0.547 25656 3697 1 10 . 1 1 40 40 MET HA H 40 4.320 4.320 4.529 -0.209 25656 3698 1 10 . 1 1 40 40 MET C C 40 177.027 177.027 177.381 -0.354 25656 3699 1 10 . 1 1 40 40 MET CA C 40 56.473 56.473 56.605 -0.132 25656 3700 1 10 . 1 1 40 40 MET CB C 40 32.505 32.505 32.647 -0.142 25656 3701 1 10 . 1 1 40 40 MET H H 40 7.888 7.888 7.936 -0.048 25656 3702 1 10 . 1 1 41 41 ARG N N 41 119.656 119.656 119.588 0.068 25656 3703 1 10 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.264 -0.249 25656 3704 1 10 . 1 1 41 41 ARG C C 41 177.123 177.123 177.893 -0.770 25656 3705 1 10 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.303 -0.541 25656 3706 1 10 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.397 0.661 25656 3707 1 10 . 1 1 41 41 ARG H H 41 7.872 7.872 8.500 -0.628 25656 3708 1 10 . 1 1 42 42 MET N N 42 117.106 117.106 119.176 -2.070 25656 3709 1 10 . 1 1 42 42 MET HA H 42 4.218 4.218 4.409 -0.191 25656 3710 1 10 . 1 1 42 42 MET C C 42 176.078 176.078 176.413 -0.335 25656 3711 1 10 . 1 1 42 42 MET CA C 42 56.295 56.295 56.608 -0.313 25656 3712 1 10 . 1 1 42 42 MET CB C 42 32.024 32.024 32.327 -0.303 25656 3713 1 10 . 1 1 42 42 MET H H 42 7.839 7.839 7.772 0.067 25656 3714 1 10 . 1 1 43 43 HIS N N 43 117.200 117.200 118.363 -1.163 25656 3715 1 10 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.625 -0.140 25656 3716 1 10 . 1 1 43 43 HIS C C 43 174.357 174.357 174.746 -0.389 25656 3717 1 10 . 1 1 43 43 HIS CA C 43 55.848 55.848 55.981 -0.133 25656 3718 1 10 . 1 1 43 43 HIS CB C 43 30.005 30.005 30.163 -0.158 25656 3719 1 10 . 1 1 43 43 HIS H H 43 7.720 7.720 7.499 0.221 25656 3720 1 10 . 1 1 44 44 TYR N N 44 119.368 119.368 119.255 0.113 25656 3721 1 10 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.147 0.195 25656 3722 1 10 . 1 1 44 44 TYR C C 44 175.078 175.078 174.381 0.697 25656 3723 1 10 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.567 -0.332 25656 3724 1 10 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.900 1.996 25656 3725 1 10 . 1 1 44 44 TYR H H 44 7.817 7.817 7.544 0.273 25656 3726 1 10 . 1 1 45 45 ILE N N 45 122.575 122.575 113.979 8.596 25656 3727 1 10 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.023 -0.144 25656 3728 1 10 . 1 1 45 45 ILE C C 45 174.785 174.785 176.112 -1.327 25656 3729 1 10 . 1 1 45 45 ILE CA C 45 60.823 60.823 61.912 -1.089 25656 3730 1 10 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.447 0.454 25656 3731 1 10 . 1 1 45 45 ILE H H 45 7.476 7.476 7.996 -0.520 25656 3732 1 10 . 1 1 46 46 ARG N N 46 125.127 125.127 122.792 2.335 25656 3733 1 10 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.402 -0.172 25656 3734 1 10 . 1 1 46 46 ARG C C 46 174.757 174.757 175.485 -0.728 25656 3735 1 10 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.373 0.422 25656 3736 1 10 . 1 1 46 46 ARG CB C 46 30.700 30.700 29.540 1.160 25656 3737 1 10 . 1 1 46 46 ARG H H 46 8.112 8.112 8.410 -0.298 25656 3738 1 10 . 1 1 47 47 ILE N N 47 125.531 125.531 123.309 2.222 25656 3739 1 10 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.263 -0.159 25656 3740 1 10 . 1 1 47 47 ILE C C 47 174.500 174.500 175.036 -0.536 25656 3741 1 10 . 1 1 47 47 ILE CA C 47 60.580 60.580 60.601 -0.021 25656 3742 1 10 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.716 -1.317 25656 3743 1 10 . 1 1 47 47 ILE H H 47 7.781 7.781 8.421 -0.640 25656 3744 1 10 . 1 1 48 48 LEU N N 48 129.762 129.762 124.971 4.791 25656 3745 1 10 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.816 0.094 25656 3746 1 10 . 1 1 48 48 LEU C C 48 174.536 174.536 174.040 0.496 25656 3747 1 10 . 1 1 48 48 LEU CA C 48 60.649 60.649 52.181 8.468 25656 3748 1 10 . 1 1 48 48 LEU CB C 48 38.412 38.412 45.181 -6.769 25656 3749 1 10 . 1 1 48 48 LEU H H 48 8.754 8.754 8.140 0.614 25656 3750 1 10 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.485 -0.638 25656 3751 1 10 . 1 1 49 49 PRO C C 49 177.177 177.177 177.116 0.061 25656 3752 1 10 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.237 0.539 25656 3753 1 10 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.991 -0.884 25656 3754 1 10 . 1 1 50 50 GLY N N 50 115.039 115.039 112.260 2.779 25656 3755 1 10 . 1 1 50 50 GLY C C 50 174.684 174.684 173.306 1.378 25656 3756 1 10 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.729 -0.387 25656 3757 1 10 . 1 1 50 50 GLY H H 50 9.247 9.247 8.673 0.574 25656 3758 1 10 . 1 1 51 51 ASP N N 51 122.122 122.122 121.105 1.017 25656 3759 1 10 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.781 -0.289 25656 3760 1 10 . 1 1 51 51 ASP C C 51 175.571 175.571 175.277 0.294 25656 3761 1 10 . 1 1 51 51 ASP CA C 51 55.304 55.304 52.726 2.578 25656 3762 1 10 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.829 -2.005 25656 3763 1 10 . 1 1 51 51 ASP H H 51 8.157 8.157 7.836 0.321 25656 3764 1 10 . 1 1 52 52 LYS N N 52 121.252 121.252 124.644 -3.392 25656 3765 1 10 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.736 0.246 25656 3766 1 10 . 1 1 52 52 LYS C C 52 176.797 176.797 176.336 0.461 25656 3767 1 10 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.585 -1.840 25656 3768 1 10 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.398 -0.162 25656 3769 1 10 . 1 1 52 52 LYS H H 52 8.501 8.501 8.721 -0.220 25656 3770 1 10 . 1 1 53 53 VAL N N 53 114.328 114.328 120.338 -6.010 25656 3771 1 10 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.617 0.232 25656 3772 1 10 . 1 1 53 53 VAL C C 53 174.261 174.261 173.970 0.291 25656 3773 1 10 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.320 -1.151 25656 3774 1 10 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.639 0.031 25656 3775 1 10 . 1 1 53 53 VAL H H 53 8.552 8.552 9.070 -0.518 25656 3776 1 10 . 1 1 54 54 THR N N 54 117.790 117.790 118.604 -0.814 25656 3777 1 10 . 1 1 54 54 THR HA H 54 4.642 4.642 5.375 -0.733 25656 3778 1 10 . 1 1 54 54 THR C C 54 173.653 173.653 173.706 -0.053 25656 3779 1 10 . 1 1 54 54 THR CA C 54 62.276 62.276 61.617 0.659 25656 3780 1 10 . 1 1 54 54 THR CB C 54 69.042 69.042 69.959 -0.917 25656 3781 1 10 . 1 1 54 54 THR H H 54 8.421 8.421 8.125 0.296 25656 3782 1 10 . 1 1 55 55 VAL N N 55 120.671 120.671 118.517 2.154 25656 3783 1 10 . 1 1 55 55 VAL HA H 55 5.235 5.235 4.979 0.256 25656 3784 1 10 . 1 1 55 55 VAL C C 55 174.027 174.027 174.021 0.006 25656 3785 1 10 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.384 -1.492 25656 3786 1 10 . 1 1 55 55 VAL CB C 55 34.322 34.322 34.608 -0.286 25656 3787 1 10 . 1 1 55 55 VAL H H 55 9.096 9.096 8.928 0.168 25656 3788 1 10 . 1 1 56 56 GLU N N 56 121.070 121.070 125.971 -4.901 25656 3789 1 10 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.003 0.182 25656 3790 1 10 . 1 1 56 56 GLU C C 56 175.974 175.974 175.499 0.475 25656 3791 1 10 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.408 -1.056 25656 3792 1 10 . 1 1 56 56 GLU CB C 56 32.861 32.861 31.797 1.064 25656 3793 1 10 . 1 1 56 56 GLU H H 56 9.094 9.094 8.395 0.699 25656 3794 1 10 . 1 1 57 57 LEU N N 57 124.646 124.646 126.665 -2.019 25656 3795 1 10 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.679 0.140 25656 3796 1 10 . 1 1 57 57 LEU C C 57 175.906 175.906 176.476 -0.570 25656 3797 1 10 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.895 0.590 25656 3798 1 10 . 1 1 57 57 LEU CB C 57 43.356 43.356 44.093 -0.737 25656 3799 1 10 . 1 1 57 57 LEU H H 57 9.030 9.030 8.003 1.027 25656 3800 1 10 . 1 1 58 58 THR N N 58 115.858 115.858 112.594 3.264 25656 3801 1 10 . 1 1 58 58 THR HA H 58 4.841 4.841 4.919 -0.078 25656 3802 1 10 . 1 1 58 58 THR C C 58 174.000 174.000 173.788 0.212 25656 3803 1 10 . 1 1 58 58 THR CA C 58 58.292 58.292 58.917 -0.625 25656 3804 1 10 . 1 1 58 58 THR CB C 58 68.768 68.768 68.569 0.199 25656 3805 1 10 . 1 1 58 58 THR H H 58 8.743 8.743 7.889 0.854 25656 3806 1 10 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.356 -0.370 25656 3807 1 10 . 1 1 59 59 PRO C C 59 176.595 176.595 177.080 -0.485 25656 3808 1 10 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.988 -0.837 25656 3809 1 10 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.919 -0.209 25656 3810 1 10 . 1 1 60 60 TYR N N 60 113.107 113.107 119.428 -6.321 25656 3811 1 10 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.391 -0.012 25656 3812 1 10 . 1 1 60 60 TYR C C 60 175.399 175.399 175.365 0.034 25656 3813 1 10 . 1 1 60 60 TYR CA C 60 57.467 57.467 58.968 -1.501 25656 3814 1 10 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.571 -0.961 25656 3815 1 10 . 1 1 60 60 TYR H H 60 7.112 7.112 8.007 -0.895 25656 3816 1 10 . 1 1 61 61 ASP N N 61 118.812 118.812 118.859 -0.047 25656 3817 1 10 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.786 -0.139 25656 3818 1 10 . 1 1 61 61 ASP C C 61 175.315 175.315 176.078 -0.763 25656 3819 1 10 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.446 0.324 25656 3820 1 10 . 1 1 61 61 ASP CB C 61 40.718 40.718 41.281 -0.563 25656 3821 1 10 . 1 1 61 61 ASP H H 61 7.389 7.389 8.265 -0.876 25656 3822 1 10 . 1 1 62 62 LEU N N 62 123.980 123.980 118.860 5.120 25656 3823 1 10 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.774 -0.482 25656 3824 1 10 . 1 1 62 62 LEU C C 62 175.285 175.285 176.915 -1.630 25656 3825 1 10 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.438 -1.611 25656 3826 1 10 . 1 1 62 62 LEU CB C 62 40.743 40.743 43.320 -2.577 25656 3827 1 10 . 1 1 62 62 LEU H H 62 8.546 8.546 8.224 0.322 25656 3828 1 10 . 1 1 63 63 SER N N 63 113.177 113.177 114.277 -1.100 25656 3829 1 10 . 1 1 63 63 SER HA H 63 4.506 4.506 4.486 0.020 25656 3830 1 10 . 1 1 63 63 SER C C 63 174.295 174.295 173.865 0.430 25656 3831 1 10 . 1 1 63 63 SER CA C 63 59.561 59.561 57.984 1.577 25656 3832 1 10 . 1 1 63 63 SER CB C 63 64.377 64.377 63.139 1.238 25656 3833 1 10 . 1 1 63 63 SER H H 63 8.307 8.307 8.041 0.266 25656 3834 1 10 . 1 1 64 64 ARG N N 64 121.271 121.271 116.140 5.131 25656 3835 1 10 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.912 0.084 25656 3836 1 10 . 1 1 64 64 ARG C C 64 174.350 174.350 173.113 1.237 25656 3837 1 10 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.772 -0.815 25656 3838 1 10 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.210 1.562 25656 3839 1 10 . 1 1 64 64 ARG H H 64 7.477 7.477 7.301 0.176 25656 3840 1 10 . 1 1 65 65 ALA N N 65 121.899 121.899 125.188 -3.289 25656 3841 1 10 . 1 1 65 65 ALA HA H 65 4.821 4.821 4.856 -0.035 25656 3842 1 10 . 1 1 65 65 ALA C C 65 175.764 175.764 175.020 0.744 25656 3843 1 10 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.653 0.461 25656 3844 1 10 . 1 1 65 65 ALA CB C 65 22.447 22.447 22.730 -0.283 25656 3845 1 10 . 1 1 65 65 ALA H H 65 8.371 8.371 8.632 -0.261 25656 3846 1 10 . 1 1 66 66 ARG N N 66 120.933 120.933 118.126 2.807 25656 3847 1 10 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.385 0.297 25656 3848 1 10 . 1 1 66 66 ARG C C 66 175.669 175.669 175.119 0.550 25656 3849 1 10 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.542 -0.340 25656 3850 1 10 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.499 1.198 25656 3851 1 10 . 1 1 66 66 ARG H H 66 8.531 8.531 8.573 -0.042 25656 3852 1 10 . 1 1 67 67 ILE N N 67 125.277 125.277 123.970 1.307 25656 3853 1 10 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.022 0.510 25656 3854 1 10 . 1 1 67 67 ILE C C 67 174.856 174.856 175.601 -0.745 25656 3855 1 10 . 1 1 67 67 ILE CA C 67 60.726 60.726 60.731 -0.005 25656 3856 1 10 . 1 1 67 67 ILE CB C 67 34.516 34.516 36.569 -2.053 25656 3857 1 10 . 1 1 67 67 ILE H H 67 8.720 8.720 7.878 0.842 25656 3858 1 10 . 1 1 68 68 VAL N N 68 128.292 128.292 127.257 1.035 25656 3859 1 10 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.066 0.606 25656 3860 1 10 . 1 1 68 68 VAL C C 68 176.302 176.302 175.794 0.508 25656 3861 1 10 . 1 1 68 68 VAL CA C 68 55.027 55.027 59.855 -4.828 25656 3862 1 10 . 1 1 68 68 VAL CB C 68 33.695 33.695 33.661 0.034 25656 3863 1 10 . 1 1 68 68 VAL H H 68 9.141 9.141 8.357 0.784 25656 3864 1 10 . 1 1 69 69 PHE N N 69 129.227 129.227 120.897 8.330 25656 3865 1 10 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.430 0.249 25656 3866 1 10 . 1 1 69 69 PHE C C 69 176.295 176.295 175.844 0.451 25656 3867 1 10 . 1 1 69 69 PHE CA C 69 55.054 55.054 57.428 -2.374 25656 3868 1 10 . 1 1 69 69 PHE CB C 69 33.698 33.698 38.312 -4.614 25656 3869 1 10 . 1 1 69 69 PHE H H 69 9.256 9.256 7.627 1.629 25656 3870 1 10 . 1 1 70 70 ARG N N 70 121.729 121.729 119.347 2.382 25656 3871 1 10 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.148 -0.121 25656 3872 1 10 . 1 1 70 70 ARG C C 70 176.193 176.193 177.000 -0.807 25656 3873 1 10 . 1 1 70 70 ARG CA C 70 56.660 56.660 57.555 -0.895 25656 3874 1 10 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.315 -0.305 25656 3875 1 10 . 1 1 70 70 ARG H H 70 8.277 8.277 8.622 -0.345 25656 3876 1 10 . 1 1 71 71 ALA N N 71 124.554 124.554 124.762 -0.208 25656 3877 1 10 . 1 1 71 71 ALA C C 71 177.627 177.627 176.967 0.660 25656 3878 1 10 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.103 1.376 25656 3879 1 10 . 1 1 71 71 ALA CB C 71 19.027 19.027 20.958 -1.931 25656 3880 1 10 . 1 1 71 71 ALA H H 71 8.166 8.166 8.088 0.078 25656 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 64 3.005 -0.503 2.986 25656 2 1 1 "Average Difference" HA 71 0.405 0.096 0.396 25656 3 1 1 "Average Difference" C 68 0.988 0.111 0.989 25656 4 1 1 "Average Difference" CA 68 1.786 -0.172 1.791 25656 5 1 1 "Average Difference" CB 63 2.203 0.697 2.106 25656 6 1 1 "Average Difference" HN 64 0.533 -0.107 0.526 25656 7 1 2 "Average Difference" N 64 3.209 -0.726 3.150 25656 8 1 2 "Average Difference" HA 71 0.405 0.098 0.396 25656 9 1 2 "Average Difference" C 68 1.047 -0.001 1.055 25656 10 1 2 "Average Difference" CA 68 1.720 -0.193 1.722 25656 11 1 2 "Average Difference" CB 63 2.094 0.621 2.016 25656 12 1 2 "Average Difference" HN 64 0.594 -0.083 0.593 25656 13 1 3 "Average Difference" N 64 3.269 -0.609 3.237 25656 14 1 3 "Average Difference" HA 71 0.432 0.086 0.427 25656 15 1 3 "Average Difference" C 68 1.068 0.064 1.074 25656 16 1 3 "Average Difference" CA 68 1.735 -0.105 1.745 25656 17 1 3 "Average Difference" CB 63 2.082 0.757 1.955 25656 18 1 3 "Average Difference" HN 64 0.551 -0.074 0.551 25656 19 1 4 "Average Difference" N 64 3.373 -0.744 3.316 25656 20 1 4 "Average Difference" HA 71 0.413 0.099 0.403 25656 21 1 4 "Average Difference" C 68 1.057 -0.001 1.064 25656 22 1 4 "Average Difference" CA 68 1.844 -0.113 1.854 25656 23 1 4 "Average Difference" CB 63 2.209 0.811 2.072 25656 24 1 4 "Average Difference" HN 64 0.471 -0.085 0.467 25656 25 1 5 "Average Difference" N 64 3.455 -0.490 3.447 25656 26 1 5 "Average Difference" HA 71 0.399 0.080 0.393 25656 27 1 5 "Average Difference" C 68 1.012 0.116 1.012 25656 28 1 5 "Average Difference" CA 68 1.849 -0.119 1.859 25656 29 1 5 "Average Difference" CB 63 2.226 0.700 2.130 25656 30 1 5 "Average Difference" HN 64 0.477 -0.080 0.474 25656 31 1 6 "Average Difference" N 64 3.543 -1.001 3.425 25656 32 1 6 "Average Difference" HA 71 0.386 0.047 0.386 25656 33 1 6 "Average Difference" C 68 0.960 0.082 0.964 25656 34 1 6 "Average Difference" CA 68 1.799 -0.036 1.812 25656 35 1 6 "Average Difference" CB 63 2.329 0.814 2.200 25656 36 1 6 "Average Difference" HN 64 0.560 -0.088 0.557 25656 37 1 7 "Average Difference" N 64 3.332 -0.500 3.320 25656 38 1 7 "Average Difference" HA 71 0.377 0.060 0.375 25656 39 1 7 "Average Difference" C 68 1.037 0.169 1.031 25656 40 1 7 "Average Difference" CA 68 1.800 0.009 1.813 25656 41 1 7 "Average Difference" CB 63 2.133 0.668 2.042 25656 42 1 7 "Average Difference" HN 64 0.505 -0.081 0.502 25656 43 1 8 "Average Difference" N 64 3.595 -1.055 3.464 25656 44 1 8 "Average Difference" HA 71 0.384 0.077 0.379 25656 45 1 8 "Average Difference" C 68 1.040 -0.012 1.047 25656 46 1 8 "Average Difference" CA 68 1.735 -0.075 1.746 25656 47 1 8 "Average Difference" CB 63 2.332 0.862 2.185 25656 48 1 8 "Average Difference" HN 64 0.527 -0.081 0.525 25656 49 1 9 "Average Difference" N 64 3.422 -0.562 3.402 25656 50 1 9 "Average Difference" HA 71 0.406 0.094 0.398 25656 51 1 9 "Average Difference" C 68 0.974 -0.007 0.982 25656 52 1 9 "Average Difference" CA 68 1.773 -0.126 1.782 25656 53 1 9 "Average Difference" CB 63 2.145 0.821 1.998 25656 54 1 9 "Average Difference" HN 64 0.554 -0.056 0.555 25656 55 1 10 "Average Difference" N 64 3.276 -0.511 3.262 25656 56 1 10 "Average Difference" HA 71 0.413 0.114 0.400 25656 57 1 10 "Average Difference" C 68 1.018 -0.012 1.025 25656 58 1 10 "Average Difference" CA 68 1.664 -0.136 1.671 25656 59 1 10 "Average Difference" CB 63 2.284 0.868 2.129 25656 60 1 10 "Average Difference" HN 64 0.527 -0.070 0.526 25656 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 25656 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ALA N N 2 125.535 125.535 124.644 0.891 25656 2 1 . 1 1 2 2 ALA HA H 2 4.243 4.243 4.825 -0.582 25656 3 1 . 1 1 2 2 ALA C C 2 177.715 177.715 176.422 1.293 25656 4 1 . 1 1 2 2 ALA CA C 2 52.443 52.443 51.876 0.567 25656 5 1 . 1 1 2 2 ALA CB C 2 19.244 19.244 20.284 -1.040 25656 6 1 . 1 1 2 2 ALA H H 2 8.245 8.245 8.326 -0.081 25656 7 1 . 1 1 3 3 LYS N N 3 120.509 120.509 120.431 0.078 25656 8 1 . 1 1 3 3 LYS HA H 3 4.208 4.208 4.511 -0.303 25656 9 1 . 1 1 3 3 LYS C C 3 176.294 176.294 174.839 1.454 25656 10 1 . 1 1 3 3 LYS CA C 3 56.446 56.446 55.826 0.620 25656 11 1 . 1 1 3 3 LYS CB C 3 32.804 32.804 33.796 -0.992 25656 12 1 . 1 1 3 3 LYS H H 3 8.233 8.233 8.432 -0.199 25656 13 1 . 1 1 4 4 ASP N N 4 120.299 120.299 121.461 -1.162 25656 14 1 . 1 1 4 4 ASP HA H 4 4.563 4.563 4.711 -0.148 25656 15 1 . 1 1 4 4 ASP C C 4 175.657 175.657 175.267 0.390 25656 16 1 . 1 1 4 4 ASP CA C 4 54.278 54.278 54.165 0.113 25656 17 1 . 1 1 4 4 ASP CB C 4 41.054 41.054 42.063 -1.009 25656 18 1 . 1 1 4 4 ASP H H 4 8.185 8.185 8.458 -0.273 25656 19 1 . 1 1 5 5 ASP N N 5 120.293 120.293 122.693 -2.400 25656 20 1 . 1 1 5 5 ASP HA H 5 4.525 4.525 4.807 -0.282 25656 21 1 . 1 1 5 5 ASP C C 5 175.396 175.396 175.212 0.184 25656 22 1 . 1 1 5 5 ASP CA C 5 54.433 54.433 53.932 0.502 25656 23 1 . 1 1 5 5 ASP CB C 5 41.072 41.072 41.026 0.046 25656 24 1 . 1 1 5 5 ASP H H 5 8.082 8.082 8.603 -0.521 25656 25 1 . 1 1 6 6 VAL N N 6 116.889 116.889 116.977 -0.088 25656 26 1 . 1 1 6 6 VAL HA H 6 4.384 4.384 4.480 -0.096 25656 27 1 . 1 1 6 6 VAL C C 6 175.536 175.536 175.037 0.499 25656 28 1 . 1 1 6 6 VAL CA C 6 61.196 61.196 60.930 0.265 25656 29 1 . 1 1 6 6 VAL CB C 6 34.079 34.079 33.512 0.567 25656 30 1 . 1 1 6 6 VAL H H 6 7.692 7.692 7.551 0.141 25656 31 1 . 1 1 7 7 ILE N N 7 123.931 123.931 121.202 2.729 25656 32 1 . 1 1 7 7 ILE HA H 7 4.319 4.319 4.627 -0.308 25656 33 1 . 1 1 7 7 ILE C C 7 174.693 174.693 174.589 0.104 25656 34 1 . 1 1 7 7 ILE CA C 7 59.971 59.971 60.551 -0.580 25656 35 1 . 1 1 7 7 ILE CB C 7 40.750 40.750 41.084 -0.334 25656 36 1 . 1 1 7 7 ILE H H 7 8.638 8.638 8.187 0.451 25656 37 1 . 1 1 8 8 GLN N N 8 123.223 123.223 125.374 -2.151 25656 38 1 . 1 1 8 8 GLN HA H 8 5.460 5.460 4.599 0.861 25656 39 1 . 1 1 8 8 GLN C C 8 175.824 175.824 175.005 0.819 25656 40 1 . 1 1 8 8 GLN CA C 8 54.115 54.115 55.378 -1.264 25656 41 1 . 1 1 8 8 GLN CB C 8 30.721 30.721 29.456 1.265 25656 42 1 . 1 1 8 8 GLN H H 8 8.381 8.381 8.369 0.012 25656 43 1 . 1 1 9 9 MET N N 9 121.931 121.931 123.708 -1.777 25656 44 1 . 1 1 9 9 MET HA H 9 4.657 4.657 4.776 -0.119 25656 45 1 . 1 1 9 9 MET C C 9 173.567 173.567 174.721 -1.154 25656 46 1 . 1 1 9 9 MET CA C 9 54.778 54.778 54.204 0.574 25656 47 1 . 1 1 9 9 MET CB C 9 38.194 38.194 36.439 1.755 25656 48 1 . 1 1 9 9 MET H H 9 8.858 8.858 9.021 -0.163 25656 49 1 . 1 1 10 10 GLN N N 10 119.772 119.772 121.127 -1.355 25656 50 1 . 1 1 10 10 GLN HA H 10 5.049 5.049 4.702 0.347 25656 51 1 . 1 1 10 10 GLN C C 10 175.878 175.878 175.551 0.327 25656 52 1 . 1 1 10 10 GLN CA C 10 54.620 54.620 55.191 -0.571 25656 53 1 . 1 1 10 10 GLN CB C 10 30.978 30.978 29.470 1.508 25656 54 1 . 1 1 10 10 GLN H H 10 8.768 8.768 8.649 0.119 25656 55 1 . 1 1 11 11 GLY N N 11 106.316 106.316 111.234 -4.918 25656 56 1 . 1 1 11 11 GLY C C 11 170.761 170.761 171.886 -1.125 25656 57 1 . 1 1 11 11 GLY CA C 11 45.623 45.623 43.935 1.688 25656 58 1 . 1 1 11 11 GLY H H 11 8.708 8.708 8.738 -0.030 25656 59 1 . 1 1 12 12 GLU N N 12 120.360 120.360 119.537 0.823 25656 60 1 . 1 1 12 12 GLU HA H 12 5.135 5.135 5.276 -0.141 25656 61 1 . 1 1 12 12 GLU C C 12 175.783 175.783 176.228 -0.446 25656 62 1 . 1 1 12 12 GLU CA C 12 53.581 53.581 53.882 -0.301 25656 63 1 . 1 1 12 12 GLU CB C 12 33.758 33.758 33.840 -0.082 25656 64 1 . 1 1 12 12 GLU H H 12 8.438 8.438 8.549 -0.111 25656 65 1 . 1 1 13 13 VAL N N 13 126.730 126.730 125.680 1.050 25656 66 1 . 1 1 13 13 VAL HA H 13 3.824 3.824 4.100 -0.275 25656 67 1 . 1 1 13 13 VAL C C 13 176.691 176.691 175.806 0.885 25656 68 1 . 1 1 13 13 VAL CA C 13 64.689 64.689 64.786 -0.097 25656 69 1 . 1 1 13 13 VAL CB C 13 31.525 31.525 31.663 -0.137 25656 70 1 . 1 1 13 13 VAL H H 13 8.957 8.957 8.775 0.182 25656 71 1 . 1 1 14 14 ILE N N 14 124.542 124.542 127.703 -3.161 25656 72 1 . 1 1 14 14 ILE HA H 14 4.576 4.576 4.399 0.177 25656 73 1 . 1 1 14 14 ILE C C 14 175.731 175.731 175.437 0.294 25656 74 1 . 1 1 14 14 ILE CA C 14 61.196 61.196 60.727 0.469 25656 75 1 . 1 1 14 14 ILE CB C 14 39.570 39.570 39.996 -0.426 25656 76 1 . 1 1 14 14 ILE H H 14 9.314 9.314 8.888 0.426 25656 77 1 . 1 1 15 15 GLU N N 15 119.317 119.317 119.496 -0.179 25656 78 1 . 1 1 15 15 GLU HA H 15 4.371 4.371 4.645 -0.274 25656 79 1 . 1 1 15 15 GLU C C 15 173.127 173.127 174.266 -1.139 25656 80 1 . 1 1 15 15 GLU CA C 15 56.615 56.615 55.167 1.448 25656 81 1 . 1 1 15 15 GLU CB C 15 34.290 34.290 33.594 0.696 25656 82 1 . 1 1 15 15 GLU H H 15 7.442 7.442 7.738 -0.296 25656 83 1 . 1 1 16 16 ASN N N 16 127.204 127.204 120.346 6.858 25656 84 1 . 1 1 16 16 ASN HA H 16 4.689 4.689 4.910 -0.221 25656 85 1 . 1 1 16 16 ASN C C 16 174.024 174.024 174.106 -0.082 25656 86 1 . 1 1 16 16 ASN CA C 16 53.040 53.040 52.622 0.418 25656 87 1 . 1 1 16 16 ASN CB C 16 37.673 37.673 39.950 -2.277 25656 88 1 . 1 1 16 16 ASN H H 16 9.025 9.025 8.638 0.387 25656 89 1 . 1 1 17 17 LEU N N 17 125.683 125.683 122.717 2.966 25656 90 1 . 1 1 17 17 LEU HA H 17 4.647 4.647 4.858 -0.211 25656 91 1 . 1 1 17 17 LEU C C 17 174.040 174.040 174.808 -0.768 25656 92 1 . 1 1 17 17 LEU CA C 17 53.306 53.306 51.582 1.724 25656 93 1 . 1 1 17 17 LEU CB C 17 37.687 37.687 44.453 -6.766 25656 94 1 . 1 1 17 17 LEU H H 17 8.034 8.034 7.719 0.315 25656 95 1 . 1 1 18 18 PRO HA H 18 4.288 4.288 4.415 -0.127 25656 96 1 . 1 1 18 18 PRO C C 18 176.016 176.016 176.381 -0.365 25656 97 1 . 1 1 18 18 PRO CA C 18 63.367 63.367 62.853 0.514 25656 98 1 . 1 1 18 18 PRO CB C 18 32.091 32.091 32.193 -0.102 25656 99 1 . 1 1 19 19 ASN N N 19 116.522 116.522 114.195 2.327 25656 100 1 . 1 1 19 19 ASN HA H 19 4.245 4.245 4.370 -0.125 25656 101 1 . 1 1 19 19 ASN C C 19 174.993 174.993 174.458 0.535 25656 102 1 . 1 1 19 19 ASN CA C 19 53.571 53.571 53.459 0.112 25656 103 1 . 1 1 19 19 ASN CB C 19 36.724 36.724 37.142 -0.418 25656 104 1 . 1 1 19 19 ASN H H 19 8.567 8.567 8.608 -0.041 25656 105 1 . 1 1 20 20 ALA N N 20 118.637 118.637 116.223 2.414 25656 106 1 . 1 1 20 20 ALA HA H 20 3.721 3.721 3.959 -0.238 25656 107 1 . 1 1 20 20 ALA C C 20 175.092 175.092 176.106 -1.014 25656 108 1 . 1 1 20 20 ALA CA C 20 52.977 52.977 53.321 -0.344 25656 109 1 . 1 1 20 20 ALA CB C 20 17.104 17.104 17.805 -0.701 25656 110 1 . 1 1 20 20 ALA H H 20 8.525 8.525 8.250 0.275 25656 111 1 . 1 1 21 21 THR N N 21 108.302 108.302 110.921 -2.619 25656 112 1 . 1 1 21 21 THR HA H 21 4.885 4.885 5.287 -0.402 25656 113 1 . 1 1 21 21 THR C C 21 172.847 172.847 173.152 -0.305 25656 114 1 . 1 1 21 21 THR CA C 21 60.830 60.830 60.909 -0.079 25656 115 1 . 1 1 21 21 THR CB C 21 71.112 71.112 71.291 -0.179 25656 116 1 . 1 1 21 21 THR H H 21 6.252 6.252 7.267 -1.015 25656 117 1 . 1 1 23 23 ARG N N 23 123.805 123.805 121.330 2.476 25656 118 1 . 1 1 23 23 ARG HA H 23 4.930 4.930 5.501 -0.571 25656 119 1 . 1 1 23 23 ARG C C 23 174.832 174.832 174.794 0.038 25656 120 1 . 1 1 23 23 ARG CA C 23 56.418 56.418 54.734 1.684 25656 121 1 . 1 1 23 23 ARG CB C 23 31.445 31.445 33.227 -1.782 25656 122 1 . 1 1 23 23 ARG H H 23 8.987 8.987 8.653 0.334 25656 123 1 . 1 1 24 24 VAL N N 24 127.572 127.572 120.976 6.596 25656 124 1 . 1 1 24 24 VAL C C 24 173.297 173.297 174.102 -0.805 25656 125 1 . 1 1 24 24 VAL CA C 24 60.839 60.839 59.930 0.909 25656 126 1 . 1 1 24 24 VAL CB C 24 34.641 34.641 35.399 -0.758 25656 127 1 . 1 1 24 24 VAL H H 24 9.349 9.349 8.797 0.552 25656 128 1 . 1 1 26 26 LEU HA H 26 4.204 4.204 4.323 -0.119 25656 129 1 . 1 1 26 26 LEU C C 26 174.549 174.549 178.310 -3.761 25656 130 1 . 1 1 26 26 LEU CA C 26 56.400 56.400 55.004 1.396 25656 131 1 . 1 1 26 26 LEU CB C 26 36.020 36.020 42.141 -6.121 25656 132 1 . 1 1 27 27 GLU N N 27 119.804 119.804 118.402 1.402 25656 133 1 . 1 1 27 27 GLU HA H 27 4.078 4.078 4.180 -0.102 25656 134 1 . 1 1 27 27 GLU C C 27 176.188 176.188 177.624 -1.436 25656 135 1 . 1 1 27 27 GLU CA C 27 58.524 58.524 58.278 0.246 25656 136 1 . 1 1 27 27 GLU CB C 27 29.608 29.608 29.487 0.121 25656 137 1 . 1 1 27 27 GLU H H 27 8.393 8.393 8.696 -0.303 25656 138 1 . 1 1 28 28 ASN N N 28 113.245 113.245 117.523 -4.278 25656 139 1 . 1 1 28 28 ASN HA H 28 4.561 4.561 4.560 0.001 25656 140 1 . 1 1 28 28 ASN C C 28 176.329 176.329 175.687 0.642 25656 141 1 . 1 1 28 28 ASN CA C 28 52.301 52.301 53.722 -1.420 25656 142 1 . 1 1 28 28 ASN CB C 28 37.467 37.467 38.374 -0.907 25656 143 1 . 1 1 28 28 ASN H H 28 7.100 7.100 8.268 -1.168 25656 144 1 . 1 1 29 29 GLY N N 29 108.088 108.088 105.408 2.680 25656 145 1 . 1 1 29 29 GLY C C 29 174.238 174.238 173.826 0.412 25656 146 1 . 1 1 29 29 GLY CA C 29 45.066 45.066 44.963 0.103 25656 147 1 . 1 1 29 29 GLY H H 29 8.228 8.228 8.079 0.149 25656 148 1 . 1 1 30 30 HIS N N 30 119.594 119.594 118.663 0.931 25656 149 1 . 1 1 30 30 HIS HA H 30 4.542 4.542 4.633 -0.091 25656 150 1 . 1 1 30 30 HIS C C 30 173.598 173.598 174.610 -1.012 25656 151 1 . 1 1 30 30 HIS CA C 30 55.603 55.603 55.202 0.401 25656 152 1 . 1 1 30 30 HIS CB C 30 29.666 29.666 30.591 -0.925 25656 153 1 . 1 1 30 30 HIS H H 30 7.840 7.840 7.820 0.020 25656 154 1 . 1 1 31 31 VAL N N 31 123.476 123.476 118.718 4.758 25656 155 1 . 1 1 31 31 VAL HA H 31 4.988 4.988 4.855 0.133 25656 156 1 . 1 1 31 31 VAL C C 31 176.217 176.217 175.346 0.871 25656 157 1 . 1 1 31 31 VAL CA C 31 61.348 61.348 60.520 0.828 25656 158 1 . 1 1 31 31 VAL CB C 31 32.608 32.608 33.240 -0.632 25656 159 1 . 1 1 31 31 VAL H H 31 8.384 8.384 8.353 0.031 25656 160 1 . 1 1 32 32 VAL N N 32 119.944 119.944 120.524 -0.580 25656 161 1 . 1 1 32 32 VAL HA H 32 4.691 4.691 4.563 0.128 25656 162 1 . 1 1 32 32 VAL C C 32 173.802 173.802 174.480 -0.678 25656 163 1 . 1 1 32 32 VAL CA C 32 58.327 58.327 60.059 -1.732 25656 164 1 . 1 1 32 32 VAL CB C 32 35.466 35.466 34.074 1.392 25656 165 1 . 1 1 32 32 VAL H H 32 8.933 8.933 8.832 0.101 25656 166 1 . 1 1 33 33 LEU N N 33 122.390 122.390 124.968 -2.578 25656 167 1 . 1 1 33 33 LEU HA H 33 5.065 5.065 5.437 -0.372 25656 168 1 . 1 1 33 33 LEU C C 33 173.779 173.779 176.383 -2.604 25656 169 1 . 1 1 33 33 LEU CA C 33 58.417 58.417 53.433 4.984 25656 170 1 . 1 1 33 33 LEU CB C 33 35.455 35.455 44.154 -8.699 25656 171 1 . 1 1 33 33 LEU H H 33 8.075 8.075 8.466 -0.391 25656 172 1 . 1 1 34 34 GLY N N 34 111.534 111.534 110.615 0.919 25656 173 1 . 1 1 34 34 GLY C C 34 171.754 171.754 172.000 -0.246 25656 174 1 . 1 1 34 34 GLY CA C 34 43.752 43.752 45.560 -1.808 25656 175 1 . 1 1 34 34 GLY H H 34 9.710 9.710 8.688 1.022 25656 176 1 . 1 1 35 35 HIS N N 35 117.412 117.412 116.346 1.066 25656 177 1 . 1 1 35 35 HIS HA H 35 5.396 5.396 5.292 0.103 25656 178 1 . 1 1 35 35 HIS C C 35 173.973 173.973 173.749 0.224 25656 179 1 . 1 1 35 35 HIS CA C 35 54.408 54.408 53.783 0.625 25656 180 1 . 1 1 35 35 HIS CB C 35 32.435 32.435 32.728 -0.293 25656 181 1 . 1 1 35 35 HIS H H 35 8.002 8.002 8.095 -0.093 25656 182 1 . 1 1 36 36 ILE N N 36 122.073 122.073 123.284 -1.211 25656 183 1 . 1 1 36 36 ILE HA H 36 4.340 4.340 4.380 -0.040 25656 184 1 . 1 1 36 36 ILE C C 36 175.549 175.549 174.801 0.748 25656 185 1 . 1 1 36 36 ILE CA C 36 61.351 61.351 59.915 1.435 25656 186 1 . 1 1 36 36 ILE CB C 36 39.145 39.145 39.456 -0.311 25656 187 1 . 1 1 36 36 ILE H H 36 9.102 9.102 8.459 0.643 25656 188 1 . 1 1 37 37 SER N N 37 121.153 121.153 123.133 -1.980 25656 189 1 . 1 1 37 37 SER HA H 37 4.519 4.519 4.825 -0.306 25656 190 1 . 1 1 37 37 SER C C 37 174.975 174.975 173.025 1.950 25656 191 1 . 1 1 37 37 SER CA C 37 57.656 57.656 57.385 0.271 25656 192 1 . 1 1 37 37 SER CB C 37 64.856 64.856 65.487 -0.632 25656 193 1 . 1 1 37 37 SER H H 37 8.474 8.474 8.474 -0.000 25656 194 1 . 1 1 38 38 GLY N N 38 112.083 112.083 109.403 2.680 25656 195 1 . 1 1 38 38 GLY C C 38 175.790 175.790 173.397 2.393 25656 196 1 . 1 1 38 38 GLY CA C 38 46.419 46.419 45.072 1.347 25656 197 1 . 1 1 38 38 GLY H H 38 8.921 8.921 8.127 0.794 25656 198 1 . 1 1 39 39 LYS N N 39 121.180 121.180 118.988 2.192 25656 199 1 . 1 1 39 39 LYS HA H 39 4.106 4.106 4.289 -0.183 25656 200 1 . 1 1 39 39 LYS C C 39 178.014 178.014 177.865 0.149 25656 201 1 . 1 1 39 39 LYS CA C 39 58.109 58.109 57.918 0.191 25656 202 1 . 1 1 39 39 LYS CB C 39 32.355 32.355 32.811 -0.456 25656 203 1 . 1 1 39 39 LYS H H 39 8.361 8.361 8.557 -0.196 25656 204 1 . 1 1 40 40 MET N N 40 118.268 118.268 117.955 0.313 25656 205 1 . 1 1 40 40 MET HA H 40 4.320 4.320 4.270 0.050 25656 206 1 . 1 1 40 40 MET C C 40 177.027 177.027 177.572 -0.545 25656 207 1 . 1 1 40 40 MET CA C 40 56.473 56.473 57.434 -0.961 25656 208 1 . 1 1 40 40 MET CB C 40 32.505 32.505 32.197 0.308 25656 209 1 . 1 1 40 40 MET H H 40 7.888 7.888 8.243 -0.355 25656 210 1 . 1 1 41 41 ARG N N 41 119.656 119.656 118.771 0.885 25656 211 1 . 1 1 41 41 ARG HA H 41 4.015 4.015 4.216 -0.201 25656 212 1 . 1 1 41 41 ARG C C 41 177.123 177.123 177.770 -0.647 25656 213 1 . 1 1 41 41 ARG CA C 41 57.762 57.762 58.333 -0.571 25656 214 1 . 1 1 41 41 ARG CB C 41 30.058 30.058 29.601 0.457 25656 215 1 . 1 1 41 41 ARG H H 41 7.872 7.872 8.286 -0.414 25656 216 1 . 1 1 42 42 MET N N 42 117.106 117.106 117.365 -0.259 25656 217 1 . 1 1 42 42 MET HA H 42 4.218 4.218 4.211 0.007 25656 218 1 . 1 1 42 42 MET C C 42 176.078 176.078 176.579 -0.501 25656 219 1 . 1 1 42 42 MET CA C 42 56.295 56.295 56.356 -0.061 25656 220 1 . 1 1 42 42 MET CB C 42 32.024 32.024 32.307 -0.283 25656 221 1 . 1 1 42 42 MET H H 42 7.839 7.839 7.814 0.025 25656 222 1 . 1 1 43 43 HIS N N 43 117.200 117.200 117.072 0.128 25656 223 1 . 1 1 43 43 HIS HA H 43 4.485 4.485 4.416 0.069 25656 224 1 . 1 1 43 43 HIS C C 43 174.357 174.357 174.622 -0.265 25656 225 1 . 1 1 43 43 HIS CA C 43 55.848 55.848 55.982 -0.134 25656 226 1 . 1 1 43 43 HIS CB C 43 30.005 30.005 29.843 0.162 25656 227 1 . 1 1 43 43 HIS H H 43 7.720 7.720 7.412 0.308 25656 228 1 . 1 1 44 44 TYR N N 44 119.368 119.368 115.958 3.410 25656 229 1 . 1 1 44 44 TYR HA H 44 4.342 4.342 4.214 0.128 25656 230 1 . 1 1 44 44 TYR C C 44 175.078 175.078 175.562 -0.484 25656 231 1 . 1 1 44 44 TYR CA C 44 58.235 58.235 58.418 -0.183 25656 232 1 . 1 1 44 44 TYR CB C 44 37.896 37.896 35.163 2.733 25656 233 1 . 1 1 44 44 TYR H H 44 7.817 7.817 7.339 0.479 25656 234 1 . 1 1 45 45 ILE N N 45 122.575 122.575 115.698 6.877 25656 235 1 . 1 1 45 45 ILE HA H 45 3.879 3.879 4.215 -0.336 25656 236 1 . 1 1 45 45 ILE C C 45 174.785 174.785 176.508 -1.723 25656 237 1 . 1 1 45 45 ILE CA C 45 60.823 60.823 60.874 -0.051 25656 238 1 . 1 1 45 45 ILE CB C 45 38.901 38.901 38.683 0.218 25656 239 1 . 1 1 45 45 ILE H H 45 7.476 7.476 7.924 -0.448 25656 240 1 . 1 1 46 46 ARG N N 46 125.127 125.127 122.583 2.544 25656 241 1 . 1 1 46 46 ARG HA H 46 4.230 4.230 4.500 -0.270 25656 242 1 . 1 1 46 46 ARG C C 46 174.757 174.757 175.260 -0.503 25656 243 1 . 1 1 46 46 ARG CA C 46 55.795 55.795 55.769 0.026 25656 244 1 . 1 1 46 46 ARG CB C 46 30.700 30.700 30.135 0.565 25656 245 1 . 1 1 46 46 ARG H H 46 8.112 8.112 8.466 -0.354 25656 246 1 . 1 1 47 47 ILE N N 47 125.531 125.531 123.477 2.054 25656 247 1 . 1 1 47 47 ILE HA H 47 4.104 4.104 4.225 -0.121 25656 248 1 . 1 1 47 47 ILE C C 47 174.500 174.500 175.318 -0.818 25656 249 1 . 1 1 47 47 ILE CA C 47 60.580 60.580 61.071 -0.491 25656 250 1 . 1 1 47 47 ILE CB C 47 38.399 38.399 39.256 -0.857 25656 251 1 . 1 1 47 47 ILE H H 47 7.781 7.781 8.401 -0.620 25656 252 1 . 1 1 48 48 LEU N N 48 129.762 129.762 124.751 5.011 25656 253 1 . 1 1 48 48 LEU HA H 48 4.910 4.910 4.887 0.023 25656 254 1 . 1 1 48 48 LEU C C 48 174.536 174.536 174.185 0.351 25656 255 1 . 1 1 48 48 LEU CA C 48 60.649 60.649 51.712 8.937 25656 256 1 . 1 1 48 48 LEU CB C 48 38.412 38.412 44.232 -5.820 25656 257 1 . 1 1 48 48 LEU H H 48 8.754 8.754 8.106 0.648 25656 258 1 . 1 1 49 49 PRO HA H 49 3.847 3.847 4.428 -0.581 25656 259 1 . 1 1 49 49 PRO C C 49 177.177 177.177 177.130 0.047 25656 260 1 . 1 1 49 49 PRO CA C 49 63.776 63.776 63.371 0.405 25656 261 1 . 1 1 49 49 PRO CB C 49 31.107 31.107 31.586 -0.479 25656 262 1 . 1 1 50 50 GLY N N 50 115.039 115.039 113.453 1.586 25656 263 1 . 1 1 50 50 GLY C C 50 174.684 174.684 173.502 1.182 25656 264 1 . 1 1 50 50 GLY CA C 50 44.342 44.342 44.729 -0.387 25656 265 1 . 1 1 50 50 GLY H H 50 9.247 9.247 8.468 0.779 25656 266 1 . 1 1 51 51 ASP N N 51 122.122 122.122 121.282 0.840 25656 267 1 . 1 1 51 51 ASP HA H 51 4.492 4.492 4.730 -0.238 25656 268 1 . 1 1 51 51 ASP C C 51 175.571 175.571 175.216 0.354 25656 269 1 . 1 1 51 51 ASP CA C 51 55.304 55.304 53.394 1.910 25656 270 1 . 1 1 51 51 ASP CB C 51 40.824 40.824 42.895 -2.071 25656 271 1 . 1 1 51 51 ASP H H 51 8.157 8.157 7.709 0.448 25656 272 1 . 1 1 52 52 LYS N N 52 121.252 121.252 124.103 -2.851 25656 273 1 . 1 1 52 52 LYS HA H 52 4.982 4.982 4.683 0.299 25656 274 1 . 1 1 52 52 LYS C C 52 176.797 176.797 176.257 0.540 25656 275 1 . 1 1 52 52 LYS CA C 52 54.745 54.745 56.562 -1.817 25656 276 1 . 1 1 52 52 LYS CB C 52 32.236 32.236 32.748 -0.512 25656 277 1 . 1 1 52 52 LYS H H 52 8.501 8.501 8.631 -0.130 25656 278 1 . 1 1 53 53 VAL N N 53 114.328 114.328 120.569 -6.241 25656 279 1 . 1 1 53 53 VAL HA H 53 4.849 4.849 4.622 0.227 25656 280 1 . 1 1 53 53 VAL C C 53 174.261 174.261 174.000 0.261 25656 281 1 . 1 1 53 53 VAL CA C 53 58.169 58.169 59.560 -1.391 25656 282 1 . 1 1 53 53 VAL CB C 53 35.670 35.670 35.832 -0.162 25656 283 1 . 1 1 53 53 VAL H H 53 8.552 8.552 9.085 -0.533 25656 284 1 . 1 1 54 54 THR N N 54 117.790 117.790 118.414 -0.624 25656 285 1 . 1 1 54 54 THR HA H 54 4.642 4.642 5.188 -0.546 25656 286 1 . 1 1 54 54 THR C C 54 173.653 173.653 173.853 -0.200 25656 287 1 . 1 1 54 54 THR CA C 54 62.276 62.276 62.087 0.189 25656 288 1 . 1 1 54 54 THR CB C 54 69.042 69.042 69.838 -0.796 25656 289 1 . 1 1 54 54 THR H H 54 8.421 8.421 8.121 0.300 25656 290 1 . 1 1 55 55 VAL N N 55 120.671 120.671 117.814 2.857 25656 291 1 . 1 1 55 55 VAL HA H 55 5.235 5.235 5.045 0.190 25656 292 1 . 1 1 55 55 VAL C C 55 174.027 174.027 173.954 0.073 25656 293 1 . 1 1 55 55 VAL CA C 55 57.892 57.892 59.474 -1.582 25656 294 1 . 1 1 55 55 VAL CB C 55 34.322 34.322 35.307 -0.985 25656 295 1 . 1 1 55 55 VAL H H 55 9.096 9.096 9.017 0.079 25656 296 1 . 1 1 56 56 GLU N N 56 121.070 121.070 125.046 -3.976 25656 297 1 . 1 1 56 56 GLU HA H 56 5.185 5.185 5.019 0.166 25656 298 1 . 1 1 56 56 GLU C C 56 175.974 175.974 174.973 1.001 25656 299 1 . 1 1 56 56 GLU CA C 56 54.352 54.352 55.024 -0.672 25656 300 1 . 1 1 56 56 GLU CB C 56 32.861 32.861 32.444 0.417 25656 301 1 . 1 1 56 56 GLU H H 56 9.094 9.094 8.454 0.640 25656 302 1 . 1 1 57 57 LEU N N 57 124.646 124.646 127.537 -2.891 25656 303 1 . 1 1 57 57 LEU HA H 57 4.819 4.819 4.711 0.108 25656 304 1 . 1 1 57 57 LEU C C 57 175.906 175.906 175.611 0.295 25656 305 1 . 1 1 57 57 LEU CA C 57 54.485 54.485 53.787 0.698 25656 306 1 . 1 1 57 57 LEU CB C 57 43.356 43.356 45.136 -1.780 25656 307 1 . 1 1 57 57 LEU H H 57 9.030 9.030 7.957 1.073 25656 308 1 . 1 1 58 58 THR N N 58 115.858 115.858 115.300 0.558 25656 309 1 . 1 1 58 58 THR HA H 58 4.841 4.841 4.944 -0.103 25656 310 1 . 1 1 58 58 THR C C 58 174.000 174.000 174.213 -0.213 25656 311 1 . 1 1 58 58 THR CA C 58 58.292 58.292 59.016 -0.724 25656 312 1 . 1 1 58 58 THR CB C 58 68.768 68.768 68.891 -0.123 25656 313 1 . 1 1 58 58 THR H H 58 8.743 8.743 8.170 0.573 25656 314 1 . 1 1 59 59 PRO HA H 59 3.986 3.986 4.319 -0.333 25656 315 1 . 1 1 59 59 PRO C C 59 176.595 176.595 177.307 -0.712 25656 316 1 . 1 1 59 59 PRO CA C 59 64.151 64.151 64.571 -0.420 25656 317 1 . 1 1 59 59 PRO CB C 59 31.710 31.710 31.707 0.003 25656 318 1 . 1 1 60 60 TYR N N 60 113.107 113.107 118.480 -5.373 25656 319 1 . 1 1 60 60 TYR HA H 60 4.379 4.379 4.320 0.059 25656 320 1 . 1 1 60 60 TYR C C 60 175.399 175.399 175.653 -0.254 25656 321 1 . 1 1 60 60 TYR CA C 60 57.467 57.467 59.718 -2.251 25656 322 1 . 1 1 60 60 TYR CB C 60 37.610 37.610 38.560 -0.951 25656 323 1 . 1 1 60 60 TYR H H 60 7.112 7.112 8.092 -0.980 25656 324 1 . 1 1 61 61 ASP N N 61 118.812 118.812 116.560 2.252 25656 325 1 . 1 1 61 61 ASP HA H 61 4.647 4.647 4.828 -0.181 25656 326 1 . 1 1 61 61 ASP C C 61 175.315 175.315 175.276 0.039 25656 327 1 . 1 1 61 61 ASP CA C 61 53.770 53.770 53.781 -0.011 25656 328 1 . 1 1 61 61 ASP CB C 61 40.718 40.718 42.295 -1.577 25656 329 1 . 1 1 61 61 ASP H H 61 7.389 7.389 7.886 -0.497 25656 330 1 . 1 1 62 62 LEU N N 62 123.980 123.980 120.812 3.167 25656 331 1 . 1 1 62 62 LEU HA H 62 4.292 4.292 4.607 -0.315 25656 332 1 . 1 1 62 62 LEU C C 62 175.285 175.285 176.441 -1.156 25656 333 1 . 1 1 62 62 LEU CA C 62 53.827 53.827 55.228 -1.401 25656 334 1 . 1 1 62 62 LEU CB C 62 40.743 40.743 42.454 -1.711 25656 335 1 . 1 1 62 62 LEU H H 62 8.546 8.546 8.223 0.323 25656 336 1 . 1 1 63 63 SER N N 63 113.177 113.177 114.128 -0.951 25656 337 1 . 1 1 63 63 SER HA H 63 4.506 4.506 4.613 -0.107 25656 338 1 . 1 1 63 63 SER C C 63 174.295 174.295 173.589 0.706 25656 339 1 . 1 1 63 63 SER CA C 63 59.561 59.561 57.767 1.794 25656 340 1 . 1 1 63 63 SER CB C 63 64.377 64.377 63.098 1.279 25656 341 1 . 1 1 63 63 SER H H 63 8.307 8.307 8.048 0.259 25656 342 1 . 1 1 64 64 ARG N N 64 121.271 121.271 116.620 4.651 25656 343 1 . 1 1 64 64 ARG HA H 64 4.996 4.996 4.864 0.132 25656 344 1 . 1 1 64 64 ARG C C 64 174.350 174.350 173.508 0.842 25656 345 1 . 1 1 64 64 ARG CA C 64 54.956 54.956 55.695 -0.739 25656 346 1 . 1 1 64 64 ARG CB C 64 32.772 32.772 31.594 1.178 25656 347 1 . 1 1 64 64 ARG H H 64 7.477 7.477 7.358 0.119 25656 348 1 . 1 1 65 65 ALA N N 65 121.899 121.899 125.205 -3.306 25656 349 1 . 1 1 65 65 ALA HA H 65 4.821 4.821 5.004 -0.183 25656 350 1 . 1 1 65 65 ALA C C 65 175.764 175.764 175.242 0.522 25656 351 1 . 1 1 65 65 ALA CA C 65 51.114 51.114 50.527 0.588 25656 352 1 . 1 1 65 65 ALA CB C 65 22.447 22.447 23.139 -0.691 25656 353 1 . 1 1 65 65 ALA H H 65 8.371 8.371 8.709 -0.338 25656 354 1 . 1 1 66 66 ARG N N 66 120.933 120.933 118.786 2.147 25656 355 1 . 1 1 66 66 ARG HA H 66 4.682 4.682 4.423 0.259 25656 356 1 . 1 1 66 66 ARG C C 66 175.669 175.669 175.278 0.391 25656 357 1 . 1 1 66 66 ARG CA C 66 54.202 54.202 54.694 -0.492 25656 358 1 . 1 1 66 66 ARG CB C 66 32.697 32.697 31.288 1.409 25656 359 1 . 1 1 66 66 ARG H H 66 8.531 8.531 8.550 -0.019 25656 360 1 . 1 1 67 67 ILE N N 67 125.277 125.277 124.096 1.181 25656 361 1 . 1 1 67 67 ILE HA H 67 4.532 4.532 4.016 0.516 25656 362 1 . 1 1 67 67 ILE C C 67 174.856 174.856 175.455 -0.599 25656 363 1 . 1 1 67 67 ILE CA C 67 60.726 60.726 61.185 -0.459 25656 364 1 . 1 1 67 67 ILE CB C 67 34.516 34.516 37.051 -2.535 25656 365 1 . 1 1 67 67 ILE H H 67 8.720 8.720 7.845 0.875 25656 366 1 . 1 1 68 68 VAL N N 68 128.292 128.292 125.554 2.738 25656 367 1 . 1 1 68 68 VAL HA H 68 4.672 4.672 4.124 0.548 25656 368 1 . 1 1 68 68 VAL C C 68 176.302 176.302 175.792 0.510 25656 369 1 . 1 1 68 68 VAL CA C 68 55.027 55.027 60.091 -5.065 25656 370 1 . 1 1 68 68 VAL CB C 68 33.695 33.695 34.152 -0.457 25656 371 1 . 1 1 68 68 VAL H H 68 9.141 9.141 8.393 0.748 25656 372 1 . 1 1 69 69 PHE N N 69 129.227 129.227 120.558 8.669 25656 373 1 . 1 1 69 69 PHE HA H 69 4.679 4.679 4.367 0.312 25656 374 1 . 1 1 69 69 PHE C C 69 176.295 176.295 176.251 0.044 25656 375 1 . 1 1 69 69 PHE CA C 69 55.054 55.054 58.293 -3.239 25656 376 1 . 1 1 69 69 PHE CB C 69 33.698 33.698 38.901 -5.203 25656 377 1 . 1 1 69 69 PHE H H 69 9.256 9.256 8.006 1.250 25656 378 1 . 1 1 70 70 ARG N N 70 121.729 121.729 119.288 2.441 25656 379 1 . 1 1 70 70 ARG HA H 70 4.027 4.027 4.162 -0.135 25656 380 1 . 1 1 70 70 ARG C C 70 176.193 176.193 176.147 0.046 25656 381 1 . 1 1 70 70 ARG CA C 70 56.660 56.660 56.853 -0.193 25656 382 1 . 1 1 70 70 ARG CB C 70 30.010 30.010 30.264 -0.254 25656 383 1 . 1 1 70 70 ARG H H 70 8.277 8.277 8.546 -0.269 25656 384 1 . 1 1 71 71 ALA N N 71 124.554 124.554 124.907 -0.353 25656 385 1 . 1 1 71 71 ALA C C 71 177.627 177.627 176.951 0.676 25656 386 1 . 1 1 71 71 ALA CA C 71 52.479 52.479 51.726 0.753 25656 387 1 . 1 1 71 71 ALA CB C 71 19.027 19.027 19.883 -0.856 25656 388 1 . 1 1 71 71 ALA H H 71 8.166 8.166 8.052 0.114 25656 stop_ save_